A0A061HVV4_CRIGR Loading...

SLIT and NTRK-like family, member 4

AlphaFold DB , UniProt , Accession A0A061HVV4, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC113837778, Length 837 aa.

						>A0A061HVV4_CRIGR|A0A061HVV4|LOC113837778
MFLWLFLIVSALVSSTNADSDISVEICNVCSCVSVENVLYVNCEKVSVYRPNQLKPPWSNFYHLNFQNNFLNILYPNTFVNFSHAVSLHLGNNKLQNIEGGAFLGLSALKQLHLNNNELKILRADTFLGIENLEYLQADYNLIKYIERGAFNKLHKLKVLILNDNLISFLPDNIFRFASLTHLDIRGNRIQKLPYIGVLEHIGRVVELQLEDNPWNCSCDLLPLKAWLENMPYNIYIGEAICETPSDLYGRLLKETNKQELCPMGTGSDFDVRILPPSQLENGYTTPNGHTTQTTLHRLVTKPPKTTNPSKISGIVAGKALSNRNLSQIVSYQTRVPPLTPCPAPCFCKTHPSDLGLSVNCQEKNIQSMSELIPKPLNAKKLHVNGNNIKDVDISDFTEFEGLDLLHLGSNQITVIKGEVFHNLTNLRRLYLNGNQIERLYPEIFSGLHNLQYLYLEYNLIKEILAGTFDSMPNLQLLYLNNNLLKSLPVYIFSGAPLARLNLRNNKFMYLPVSGVLDQLQSLTQIDLEGNPWDCTCDLVALKLWLEKLNDGIVVKELKCETPVQFANIELKSLKNEILCPKLLNKPSALFTSPAPAITFTTPLGPIRSPPGGPVPLSILILSILVVLILTVFVAFCLLVFVLRRNKKPTVKHEGLGNAECGSMQLQLRKHDHKTNKKDGLSTEAFIPQTIEQMSKSHSCGLKDSESSFMFSDPPGQKVTLRNAADKDKDLLHGDTRKRLSTIDELDELFPSRDSNVFLQNFLESKKEYNSIGVSGFEIRYPEKQQDKKNKKSLIGGNHSKIVVEQRKSEYFELKAKLQSSPDYLQVLEEQTALNKI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	48.8	Very low	41.2	Very low	220 Å²	220	143.4 Å²	143.4	100%	1.084	74%	0.735	S	S	*	*				0	-33.4	0	-144.7	159.5	80	0	0	114
2	F	42.1	Very low	40.6	Very low	179 Å²	179	144.1 Å²	144.1	79%	0.785	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-73.9	-24.9	-178.6	-90.8	-86.1	0	0	0	116.5	W4	F2-W4 VanDerWaalsContact C-N 3.27Å; F2-W4 PolarHBondContact O-N 3.25Å
3	L	42	Very low	39.8	Very low	156 Å²	156	143.8 Å²	143.8	82%	0.817	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-74.2	-9.6	-175.5	-136.6	77	0	0	0	115.2
4	W	39.9	Very low	39.4	Very low	203 Å²	203	141.6 Å²	141.6	77%	0.769	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-93.5	-21.7	-179.6	-103.9	52.3	0	0	0	113.8	F2 F6	F2-W4 VanDerWaalsContact C-N 3.27Å; F2-W4 PolarHBondContact O-N 3.25Å; W4-F6 VanDerWaalsContact C-N 3.34Å; W4-F6 PolarHBondContact O-N 2.62Å
5	L	40.6	Very low	39	Very low	115 Å²	115	139.4 Å²	139.4	60%	0.602	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-70.5	-28.9	-179.7	-90	156.6	0	0	0	112.9	L7	L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 2.74Å
6	F	41.8	Very low	38.5	Very low	181 Å²	181	137.8 Å²	137.8	79%	0.794	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-73.5	-17.7	179.8	-108.9	-82.3	0	0	0	114.7	W4	W4-F6 VanDerWaalsContact C-N 3.34Å; W4-F6 PolarHBondContact O-N 2.62Å
7	L	41.8	Very low	37.9	Very low	125 Å²	125	138.5 Å²	138.5	65%	0.654	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-94.5	-6.8	-177.8	-78.8	167	0	0	0	114.2	L5 S10	L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 2.74Å; L7-S10 PolarHBondContact O-OG 3.31Å
8	I	39.1	Very low	37.8	Very low	102 Å²	102	136 Å²	136	52%	0.523	75%	0.753	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.7	-29.8	-178.1	-63.9	175.6	0	0	0	111.3	S10 A11	I8-S10 VanDerWaalsContact C-N 3.25Å; I8-S10 PolarHBondContact O-N 3.21Å; I8-A11 PolarHBondContact O-N 3.14Å
9	V	38.5	Very low	37.6	Very low	122 Å²	122	137.8 Å²	137.8	74%	0.739	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-24.7	177.9	-179.9	0	0	0	0	112.4
10	S	40.4	Very low	37.3	Very low	97 Å²	97	136 Å²	136	68%	0.678	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-2.3	-180	50.2	0	0	0	0	115.1	L7 I8	L7-S10 PolarHBondContact O-OG 3.31Å; I8-S10 VanDerWaalsContact C-N 3.25Å; I8-S10 PolarHBondContact O-N 3.21Å
11	A	38.3	Very low	37.4	Very low	77 Å²	77	135.6 Å²	135.6	64%	0.636	76%	0.755	S	S	*	*	S	Bend	trans	-116.7	-1.3	-166.3	0	0	0	0	0	115.6	I8	I8-A11 PolarHBondContact O-N 3.14Å
12	L	33.7	Very low	36.9	Very low	152 Å²	152	131.6 Å²	131.6	80%	0.796	74%	0.736	S	S	*	*			trans	-143.7	55.3	-167.4	-114	159.3	0	0	0	114.8
13	V	31	Very low	37.1	Very low	140 Å²	140	125.1 Å²	125.1	85%	0.848	71%	0.713	S	S	*	*			trans	-130.2	111.3	154.8	-178.5	0	0	0	0	108.6
14	S	33.4	Very low	37.8	Very low	114 Å²	114	120.5 Å²	120.5	80%	0.797	69%	0.692	S	S	*	*			trans	-153.1	137.4	169.9	-154.8	0	0	0	0	109.6
15	S	34.2	Very low	39	Very low	108 Å²	108	113.4 Å²	113.4	76%	0.755	67%	0.667	S	S	*	*			trans	60	135.2	-156.4	77.3	0	0	0	0	112.9
16	T	30.4	Very low	40.5	Very low	113 Å²	113	107.9 Å²	107.9	69%	0.693	64%	0.638	S	S	*	*			cis	-136	167.4	23.6	46.7	0	0	0	0	113.3
17	N	27.7	Very low	41.9	Very low	151 Å²	151	101.1 Å²	101.1	81%	0.807	61%	0.613	S	S	*	*			trans	69.6	103.2	177.3	-48.7	-26.7	0	0	0	113.3
18	A	37.3	Very low	43.3	Very low	93 Å²	93	100.9 Å²	100.9	77%	0.769	61%	0.612	S	S	*	*				86.5	137.4	68.4	0	0	0	0	0	112.5
19	D	33.6	Very low	44.9	Very low	171 Å²	171	98.8 Å²	98.8	91%	0.914	60%	0.604	S	S	*	*			trans	57.1	67	-178.3	-60.5	-12	0	0	0	116.7
20	S	31.9	Very low	46.8	Very low	100 Å²	100	93.3 Å²	93.3	70%	0.699	57%	0.571	S	S	*	*			trans	-93.3	106.5	160.4	61.5	0	0	0	0	110.7	I22	S20-I22 PolarHBondContact O-N 3.24Å
21	D	38.2	Very low	48.8	Very low	128 Å²	128	92.4 Å²	92.4	68%	0.684	57%	0.565	S	S	*	*			trans	-77.1	86.1	-177.8	-149.9	-3.7	0	0	0	111	S23	D21-S23 VanDerWaalsContact C-N 3.25Å; D21-S23 PolarHBondContact O-N 2.99Å
22	I	39.1	Very low	50.9	Low	136 Å²	136	90.7 Å²	90.7	70%	0.697	55%	0.547	S	S	*	.			trans	-72.9	82.1	-179.4	-53.4	179.5	0	0	0	109.1	S20 V24	S20-I22 PolarHBondContact O-N 3.24Å; I22-V24 HydrophobicContact CG2-CG2 4.22Å; I22-V24 WeakPolarHBondContact O-CG2 3.38Å; I22-V24 PolarHBondContact O-N 2.82Å
23	S	45.3	Very low	53.1	Low	44 Å²	44	87.1 Å²	87.1	31%	0.308	53%	0.532	S	S	.	.			trans	-69.4	90	173.4	37.4	0	0	0	0	110.6	D21 Q53 K55	D21-S23 VanDerWaalsContact C-N 3.25Å; D21-S23 PolarHBondContact O-N 2.99Å; S23-Q53 WeakPolarHBondContact CA-O 3.3Å; S23-K55 PolarHBondContact O-NZ 3.22Å; S23-K55 WeakPolarHBondContact OG-CE 3.46Å; S23-K55 PolarHBondContact OG-NZ 3.01Å
24	V	56.8	Low	55.3	Low	59 Å²	59	84.3 Å²	84.3	36%	0.358	52%	0.519	S	S	.	.			trans	-69.1	141.7	-179.2	-164	0	0	0	0	110.3	I22 N28 V29 K55	I22-V24 HydrophobicContact CG2-CG2 4.22Å; I22-V24 WeakPolarHBondContact O-CG2 3.38Å; I22-V24 PolarHBondContact O-N 2.82Å; V24-N28 HydrophobicContact CG1-CB 3.93Å; V24-V29 HydrophobicContact CB-CG2 3.76Å; V24-V29 HydrophobicContact CG1-CG2 3.51Å; V24-V29 HydrophobicContact CG2-CG2 4.44Å; V24-K55 PolarHBondContact O-N 2.93Å
25	E	65.8	Low	57.3	Low	53 Å²	53	82.5 Å²	82.5	25%	0.248	50%	0.502	C	S	.	.	B	Isolated β-bridge	trans	-66	135.6	172.3	-165.3	-168.3	139	0	0	110.8	C27 N28 W58	E25-C27 PolarHBondContact O-N 3.27Å; E25-C27 VanDerWaalsContact O-N 3.13Å; E25-N28 PolarHBondContact O-N 2.73Å; E25-W58 VanDerWaalsContact CD-CZ3 3.42Å; E25-W58 HydrophobicContact CG-CH2 4.44Å; E25-W58 HydrophobicContact CG-CZ3 4.44Å; E25-W58 VanDerWaalsContact OE1-CZ3 3.25Å; E25-W58 WeakPolarHBondContact OE1-CZ3 3.4Å; E25-W58 WeakPolarHBondContact OE2-CH2 3.39Å; E25-W58 WeakPolarHBondContact OE2-CZ3 3.39Å
26	I	72.2	Confident	58.8	Low	0 Å²	0	85.9 Å²	85.9	0%	0	51%	0.506	C	S	.	.	G	3₁₀ helix	trans	-59.4	-32.8	-170	-160.8	161.3	0	0	0	113.3	N28 V29 C30 V41 L54 K55 P57 L64 F66 F82	I26-N28 VanDerWaalsContact C-N 3.26Å; I26-N28 PolarHBondContact O-N 2.79Å; I26-V29 PolarHBondContact O-N 3.38Å; I26-C30 HydrophobicContact CG1-CB 4.25Å; I26-C30 WeakPolarHBondContact O-CB 3.35Å; I26-C30 PolarHBondContact O-N 2.9Å; I26-V41 HydrophobicContact CD1-CG1 3.82Å; I26-V41 HydrophobicContact CG1-CG1 3.74Å; I26-V41 HydrophobicContact CG2-CG1 4.06Å; I26-L54 HydrophobicContact CB-CB 4.27Å; I26-L54 HydrophobicContact CD1-CB 4.16Å; I26-L54 HydrophobicContact CD1-CD1 3.94Å; I26-L54 HydrophobicContact CG1-CB 4.2Å; I26-L54 HydrophobicContact CG1-CD1 4.09Å; I26-L54 HydrophobicContact CG1-CD2 4.49Å; I26-L54 HydrophobicContact CG1-CG 4.49Å; I26-K55 WeakPolarHBondContact CB-O 3.43Å; I26-K55 PolarHBondContact N-O 2.92Å; I26-K55 VanDerWaalsContact N-O 3.11Å; I26-P57 HydrophobicContact CG2-CB 4.27Å; I26-P57 HydrophobicContact CG2-CG 4.25Å; I26-L64 HydrophobicContact CD1-CD2 4.47Å; I26-F66 HydrophobicContact CD1-CE1 4.48Å; I26-F66 HydrophobicContact CD1-CZ 3.97Å; I26-F82 HydrophobicContact CD1-CE1 4.01Å; I26-F82 HydrophobicContact CD1-CZ 4.33Å
27	C	70.5	Confident	60.6	Low	38 Å²	38	87.4 Å²	87.4	26%	0.257	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-76.2	-5.7	178.5	-62.3	0	0	0	0	115	E25 C32	E25-C27 PolarHBondContact O-N 3.27Å; E25-C27 VanDerWaalsContact O-N 3.13Å; C27-C32 WeakPolarHBondContact CA-SG 3.33Å; C27-C32 HydrophobicContact CB-CB 3.66Å; C27-C32 WeakPolarHBondContact CB-SG 3.38Å; C27-C32 WeakPolarHBondContact SG-CB 3.38Å; C27-C32 CovalentContact SG-SG 2.04Å; C27-C32 PolarHBondContact SG-SG 3.09Å
28	N	71.7	Confident	62.8	Low	121 Å²	121	82.1 Å²	82.1	65%	0.647	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-95	-8.6	170	-66.2	-39.3	0	0	0	112.5	V24 E25 I26	V24-N28 HydrophobicContact CG1-CB 3.93Å; E25-N28 PolarHBondContact O-N 2.73Å; I26-N28 VanDerWaalsContact C-N 3.26Å; I26-N28 PolarHBondContact O-N 2.79Å
29	V	72.1	Confident	64.9	Low	57 Å²	57	78.9 Å²	78.9	35%	0.345	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-35.2	179.3	179.3	0	0	0	0	111.4	V24 I26 V46 L54	V24-V29 HydrophobicContact CB-CG2 3.76Å; V24-V29 HydrophobicContact CG1-CG2 3.51Å; V24-V29 HydrophobicContact CG2-CG2 4.44Å; I26-V29 PolarHBondContact O-N 3.38Å; V29-V46 HydrophobicContact CG1-CG1 3.68Å; V29-L54 HydrophobicContact CB-CD2 4.08Å; V29-L54 HydrophobicContact CG1-CD2 4.14Å; V29-L54 HydrophobicContact CG2-CD2 4.04Å
30	C	79.4	Confident	67.3	Low	8 Å²	8	75.6 Å²	75.6	5%	0.054	43%	0.428	C	S	.	.	S	Bend	trans	-118.4	154.9	-175.9	-55.1	0	0	0	0	111	I26 C32 V41 N42 C43	I26-C30 HydrophobicContact CG1-CB 4.25Å; I26-C30 WeakPolarHBondContact O-CB 3.35Å; I26-C30 PolarHBondContact O-N 2.9Å; C30-C32 PolarHBondContact O-N 2.8Å; C30-V41 HydrophobicContact CB-CG1 4.01Å; C30-N42 WeakPolarHBondContact CB-O 3.48Å; C30-C43 HydrophobicContact CB-CB 3.94Å; C30-C43 WeakPolarHBondContact CB-SG 3.21Å; C30-C43 VanDerWaalsContact SG-CA 3.54Å; C30-C43 WeakPolarHBondContact SG-CB 3.38Å; C30-C43 CovalentContact SG-SG 2.03Å; C30-C43 PolarHBondContact SG-SG 3.11Å
31	S	81.8	Confident	69.9	Low	78 Å²	78	70.9 Å²	70.9	55%	0.545	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	115	178.1	-175	0	0	0	0	110.7	N42	S31-N42 PolarHBondContact N-O 3.27Å; S31-N42 PolarHBondContact O-N 3.07Å
32	C	83.3	Confident	72.1	Confident	40 Å²	40	67.8 Å²	67.8	27%	0.27	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.3	177.6	-78	0	0	0	0	111.5	C27 C30 L39 Y40	C27-C32 WeakPolarHBondContact CA-SG 3.33Å; C27-C32 HydrophobicContact CB-CB 3.66Å; C27-C32 WeakPolarHBondContact CB-SG 3.38Å; C27-C32 WeakPolarHBondContact SG-CB 3.38Å; C27-C32 CovalentContact SG-SG 2.04Å; C27-C32 PolarHBondContact SG-SG 3.09Å; C30-C32 PolarHBondContact O-N 2.8Å; C32-L39 HydrophobicContact CB-CD1 4.19Å; C32-Y40 WeakPolarHBondContact CA-O 3.43Å
33	V	80.1	Confident	74.2	Confident	77 Å²	77	61.3 Å²	61.3	47%	0.467	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.5	178	-175.1	0	0	0	0	109.3	V35 Y40	V33-V35 HydrophobicContact CG1-CG2 4.09Å; V33-Y40 PolarHBondContact N-O 2.77Å; V33-Y40 PolarHBondContact O-N 3.05Å
34	S	77.1	Confident	75.9	Confident	82 Å²	82	60.9 Å²	60.9	57%	0.573	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.2	175.8	-172.6	0	0	0	0	110.4
35	V	74.5	Confident	76.5	Confident	75 Å²	75	64 Å²	64	46%	0.455	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	121.4	177.9	-176.1	0	0	0	0	107.6	V33 N37 V38 Y40	V33-V35 HydrophobicContact CG1-CG2 4.09Å; V35-N37 PolarHBondContact O-N 3.04Å; V35-N37 VanDerWaalsContact O-N 3.07Å; V35-V38 PolarHBondContact N-O 2.73Å; V35-V38 WeakPolarHBondContact O-CA 3.31Å; V35-V38 WeakPolarHBondContact O-CB 3.33Å; V35-V38 PolarHBondContact O-N 3.19Å; V35-V38 VanDerWaalsContact O-O 3.1Å; V35-Y40 HydrophobicContact CB-CD2 4.34Å; V35-Y40 HydrophobicContact CB-CE2 4.06Å; V35-Y40 HydrophobicContact CG2-CD2 4.3Å; V35-Y40 HydrophobicContact CG2-CE2 4.42Å
36	E	65.6	Low	76.8	Confident	180 Å²	180	64.3 Å²	64.3	84%	0.841	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	32.4	179.4	-56.9	-163.5	151.8	0	0	115.6	V38	E36-V38 VanDerWaalsContact C-N 3.27Å; E36-V38 PolarHBondContact O-N 2.82Å
37	N	69.1	Low	76.5	Confident	144 Å²	144	66.8 Å²	66.8	77%	0.77	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	7	-173.2	-44.3	-74.2	0	0	0	115.7	V35	V35-N37 PolarHBondContact O-N 3.04Å; V35-N37 VanDerWaalsContact O-N 3.07Å
38	V	72.6	Confident	76.3	Confident	40 Å²	40	65.7 Å²	65.7	24%	0.242	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	129.7	165.1	-177.3	0	0	0	0	108.7	V35 E36 Y40 H63	V35-V38 PolarHBondContact N-O 2.73Å; V35-V38 WeakPolarHBondContact O-CA 3.31Å; V35-V38 WeakPolarHBondContact O-CB 3.33Å; V35-V38 PolarHBondContact O-N 3.19Å; V35-V38 VanDerWaalsContact O-O 3.1Å; E36-V38 VanDerWaalsContact C-N 3.27Å; E36-V38 PolarHBondContact O-N 2.82Å; V38-Y40 HydrophobicContact CB-CE2 3.91Å; V38-Y40 HydrophobicContact CG1-CD2 4.34Å; V38-Y40 HydrophobicContact CG1-CE2 3.66Å; V38-H63 VanDerWaalsContact CG1-CD2 3.48Å; V38-H63 WeakPolarHBondContact CG1-CD2 3.47Å
39	L	82.4	Confident	75.9	Confident	25 Å²	25	67.3 Å²	67.3	13%	0.131	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124.7	-179.8	-175.7	74.4	0	0	0	110.8	C32 V41 P57 F61 Y62 H63	C32-L39 HydrophobicContact CB-CD1 4.19Å; L39-V41 HydrophobicContact CD2-CG2 4.18Å; L39-V41 HydrophobicContact CG-CG2 4.21Å; L39-P57 HydrophobicContact CD2-CB 3.42Å; L39-P57 VanDerWaalsContact CD2-CB 3.42Å; L39-P57 HydrophobicContact CD2-CG 3.66Å; L39-F61 PolarHBondContact N-O 3.15Å; L39-Y62 CarbonylContact O-C 3.49Å; L39-Y62 WeakPolarHBondContact O-CA 3.42Å; L39-Y62 WeakPolarHBondContact O-CB 3.41Å; L39-H63 PolarHBondContact O-N 2.87Å
40	Y	83.6	Confident	75.7	Confident	102 Å²	102	71.6 Å²	71.6	40%	0.4	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	121.9	176	-65.5	-95.8	0	0	0	108.7	C32 V33 V35 V38 H63	C32-Y40 WeakPolarHBondContact CA-O 3.43Å; V33-Y40 PolarHBondContact N-O 2.77Å; V33-Y40 PolarHBondContact O-N 3.05Å; V35-Y40 HydrophobicContact CB-CD2 4.34Å; V35-Y40 HydrophobicContact CB-CE2 4.06Å; V35-Y40 HydrophobicContact CG2-CD2 4.3Å; V35-Y40 HydrophobicContact CG2-CE2 4.42Å; V38-Y40 HydrophobicContact CB-CE2 3.91Å; V38-Y40 HydrophobicContact CG1-CD2 4.34Å; V38-Y40 HydrophobicContact CG1-CE2 3.66Å; Y40-H63 HydrophobicContact CD1-CB 3.74Å; Y40-H63 AromaticContact CD1-CG 3.99Å; Y40-H63 HydrophobicContact CE1-CB 3.98Å; Y40-H63 AromaticContact CE1-CD2 3.79Å; Y40-H63 AromaticContact CE1-CG 3.69Å
41	V	86.3	Confident	75.4	Confident	2 Å²	2	71.3 Å²	71.3	1%	0.012	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	108.9	-176.2	-174	0	0	0	0	108.8	I26 C30 L39 P57 H63 L64 N65	I26-V41 HydrophobicContact CD1-CG1 3.82Å; I26-V41 HydrophobicContact CG1-CG1 3.74Å; I26-V41 HydrophobicContact CG2-CG1 4.06Å; C30-V41 HydrophobicContact CB-CG1 4.01Å; L39-V41 HydrophobicContact CD2-CG2 4.18Å; L39-V41 HydrophobicContact CG-CG2 4.21Å; V41-P57 HydrophobicContact CG2-CG 4.33Å; V41-H63 PolarHBondContact N-O 2.7Å; V41-L64 HydrophobicContact CB-CD2 3.96Å; V41-L64 HydrophobicContact CG1-CD2 4.41Å; V41-L64 HydrophobicContact CG2-CD2 4.11Å; V41-N65 PolarHBondContact O-N 2.98Å
42	N	84.5	Confident	74.8	Confident	62 Å²	62	71.1 Å²	71.1	33%	0.332	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	106.6	-179.1	-168.4	5	0	0	0	112.2	C30 S31 E44 N65	C30-N42 WeakPolarHBondContact CB-O 3.48Å; S31-N42 PolarHBondContact N-O 3.27Å; S31-N42 PolarHBondContact O-N 3.07Å; N42-E44 VanDerWaalsContact OD1-CB 3.23Å; N42-E44 WeakPolarHBondContact OD1-CB 3.34Å; N42-E44 PolarHBondContact OD1-N 3.24Å; N42-E44 VanDerWaalsContact OD1-N 3.08Å; N42-N65 PolarHBondContact OD1-ND2 3.35Å
43	C	83.6	Confident	74.1	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.007	37%	0.37	C	S	.	.			trans	-104.7	22.8	176.5	-59.4	0	0	0	0	112.6	C30 K45 V46 V48 N65 F66 N69	C30-C43 HydrophobicContact CB-CB 3.94Å; C30-C43 WeakPolarHBondContact CB-SG 3.21Å; C30-C43 VanDerWaalsContact SG-CA 3.54Å; C30-C43 WeakPolarHBondContact SG-CB 3.38Å; C30-C43 CovalentContact SG-SG 2.03Å; C30-C43 PolarHBondContact SG-SG 3.11Å; C43-K45 PolarHBondContact O-N 3.39Å; C43-V46 PolarHBondContact O-N 2.75Å; C43-V48 HydrophobicContact CB-CG2 4.47Å; C43-N65 WeakPolarHBondContact CA-O 3.49Å; C43-N65 VanDerWaalsContact CB-O 3.31Å; C43-N65 WeakPolarHBondContact CB-O 3.3Å; C43-N65 PolarHBondContact N-O 2.98Å; C43-F66 HydrophobicContact CB-CD1 3.54Å; C43-F66 HydrophobicContact CB-CE1 3.75Å; C43-F66 HydrophobicContact CB-CG 4.42Å; C43-F66 WeakPolarHBondContact SG-CE1 3.42Å; C43-N69 PolarHBondContact O-ND2 3.07Å
44	E	81.4	Confident	73.8	Confident	34 Å²	34	70.7 Å²	70.7	16%	0.159	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	132.7	-177.5	-159.8	-143.3	153.8	0	0	112.6	N42 V46 Q67 N68	N42-E44 VanDerWaalsContact OD1-CB 3.23Å; N42-E44 WeakPolarHBondContact OD1-CB 3.34Å; N42-E44 PolarHBondContact OD1-N 3.24Å; N42-E44 VanDerWaalsContact OD1-N 3.08Å; E44-V46 WeakPolarHBondContact O-CG2 3.5Å; E44-V46 PolarHBondContact O-N 3.2Å; E44-Q67 WeakPolarHBondContact CA-O 3.35Å; E44-Q67 HydrophobicContact CG-CB 4.43Å; E44-Q67 VanDerWaalsContact CG-O 3.28Å; E44-Q67 WeakPolarHBondContact CG-O 3.43Å; E44-N68 HydrophobicContact CG-CB 3.95Å; E44-N68 PolarHBondContact OE1-ND2 3.06Å
45	K	70.1	Confident	73.6	Confident	126 Å²	126	71.9 Å²	71.9	55%	0.548	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	6.4	-179.7	-54.1	179.8	-175.4	95.2	0	116.4	C43 S47 N68	C43-K45 PolarHBondContact O-N 3.39Å; K45-S47 PolarHBondContact O-N 3.4Å; K45-N68 WeakPolarHBondContact CA-O 3.45Å; K45-N68 HydrophobicContact CG-CB 3.89Å
46	V	70.4	Confident	73.5	Confident	58 Å²	58	70 Å²	70	35%	0.352	34%	0.335	S	S	.	.	S	Bend	trans	-69.6	0.4	-178	-176.6	0	0	0	0	113.2	V29 C43 E44 V48 N69	V29-V46 HydrophobicContact CG1-CG1 3.68Å; C43-V46 PolarHBondContact O-N 2.75Å; E44-V46 WeakPolarHBondContact O-CG2 3.5Å; E44-V46 PolarHBondContact O-N 3.2Å; V46-V48 VanDerWaalsContact C-N 3.31Å; V46-V48 HydrophobicContact CB-CG2 4.15Å; V46-V48 HydrophobicContact CG1-CG2 4.22Å; V46-V48 PolarHBondContact O-N 2.96Å; V46-N69 PolarHBondContact N-OD1 3.04Å
47	S	66.7	Low	73.8	Confident	53 Å²	53	61.9 Å²	61.9	37%	0.371	30%	0.298	S	S	.	.			trans	62	36.9	-178.6	-55.6	0	0	0	0	112.8	K45 Y49 N69	K45-S47 PolarHBondContact O-N 3.4Å; S47-Y49 WeakPolarHBondContact O-CD2 3.13Å; S47-Y49 WeakPolarHBondContact O-CE2 3.41Å; S47-Y49 PolarHBondContact O-N 3.12Å; S47-Y49 VanDerWaalsContact O-N 3.15Å; S47-N69 WeakPolarHBondContact CA-OD1 3.33Å; S47-N69 PolarHBondContact N-OD1 3.1Å
48	V	66.5	Low	73.6	Confident	14 Å²	14	65.5 Å²	65.5	9%	0.085	30%	0.301	C	S	.	.			trans	-71.2	107.6	176	179.6	0	0	0	0	109	C43 V46 L54 F66 N69 L71	C43-V48 HydrophobicContact CB-CG2 4.47Å; V46-V48 VanDerWaalsContact C-N 3.31Å; V46-V48 HydrophobicContact CB-CG2 4.15Å; V46-V48 HydrophobicContact CG1-CG2 4.22Å; V46-V48 PolarHBondContact O-N 2.96Å; V48-L54 HydrophobicContact CG1-CD1 4.01Å; V48-L54 HydrophobicContact CG2-CD1 4.38Å; V48-F66 HydrophobicContact CG1-CD1 4.41Å; V48-F66 HydrophobicContact CG1-CE1 4.24Å; V48-N69 PolarHBondContact N-OD1 2.91Å; V48-L71 WeakPolarHBondContact O-CD2 3.37Å
49	Y	62.8	Low	73.3	Confident	156 Å²	156	64.9 Å²	64.9	61%	0.612	30%	0.298	S	S	*	.	S	Bend	trans	-86.7	-22.6	176.4	-61.9	-74.9	0	0	0	113.7	S47 F70	S47-Y49 WeakPolarHBondContact O-CD2 3.13Å; S47-Y49 WeakPolarHBondContact O-CE2 3.41Å; S47-Y49 PolarHBondContact O-N 3.12Å; S47-Y49 VanDerWaalsContact O-N 3.15Å; Y49-F70 HydrophobicContact CD1-CB 4.31Å; Y49-F70 HydrophobicContact CE1-CB 3.85Å
50	R	68.3	Low	72.6	Confident	146 Å²	146	69.5 Å²	69.5	55%	0.551	32%	0.323	S	S	*	.			trans	-147.7	104	-177.2	-69.3	-176.1	177.5	169.9	-1.4	111.4	N52 Q53	R50-N52 PolarHBondContact O-N 3.01Å; R50-Q53 HydrophobicContact CB-CG 4.42Å; R50-Q53 PolarHBondContact O-N 3.45Å
51	P	73.9	Confident	72.4	Confident	3 Å²	3	70 Å²	70	2%	0.019	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-58.9	-26.8	178.4	-26.8	35.9	0	0	0	114.6	Q53 L54 F66 L71 T78 F79	P51-Q53 PolarHBondContact O-N 3.39Å; P51-L54 PolarHBondContact O-N 3.03Å; P51-L54 VanDerWaalsContact O-N 3.11Å; P51-F66 HydrophobicContact CB-CZ 4.33Å; P51-L71 HydrophobicContact CG-CD2 4.44Å; P51-T78 HydrophobicContact CB-CG2 3.88Å; P51-T78 HydrophobicContact CG-CG2 3.84Å; P51-F79 HydrophobicContact CB-CD1 4.31Å; P51-F79 HydrophobicContact CB-CE1 3.69Å; P51-F79 HydrophobicContact CB-CZ 4.18Å; P51-F79 HydrophobicContact CG-CE1 3.97Å; P51-F79 HydrophobicContact CG-CZ 3.98Å
52	N	68.5	Low	72.4	Confident	73 Å²	73	70 Å²	70	39%	0.39	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-54.9	-27.2	-178.9	-47.6	55.2	0	0	0	114.4	R50 L54	R50-N52 PolarHBondContact O-N 3.01Å; N52-L54 VanDerWaalsContact C-N 3.3Å
53	Q	68.8	Low	72.5	Confident	95 Å²	95	68.7 Å²	68.7	44%	0.444	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-81	-11.7	-174.8	-61.5	-175.4	-82.5	0	0	112.9	S23 R50 P51	S23-Q53 WeakPolarHBondContact CA-O 3.3Å; R50-Q53 HydrophobicContact CB-CG 4.42Å; R50-Q53 PolarHBondContact O-N 3.45Å; P51-Q53 PolarHBondContact O-N 3.39Å
54	L	72.7	Confident	72.8	Confident	14 Å²	14	68.7 Å²	68.7	7%	0.073	32%	0.319	C	S	.	.	S	Bend	trans	-90.6	129.5	179.2	-60.3	166.5	0	0	0	109.8	I26 V29 V48 P51 N52 F66 F82	I26-L54 HydrophobicContact CB-CB 4.27Å; I26-L54 HydrophobicContact CD1-CB 4.16Å; I26-L54 HydrophobicContact CD1-CD1 3.94Å; I26-L54 HydrophobicContact CG1-CB 4.2Å; I26-L54 HydrophobicContact CG1-CD1 4.09Å; I26-L54 HydrophobicContact CG1-CD2 4.49Å; I26-L54 HydrophobicContact CG1-CG 4.49Å; V29-L54 HydrophobicContact CB-CD2 4.08Å; V29-L54 HydrophobicContact CG1-CD2 4.14Å; V29-L54 HydrophobicContact CG2-CD2 4.04Å; V48-L54 HydrophobicContact CG1-CD1 4.01Å; V48-L54 HydrophobicContact CG2-CD1 4.38Å; P51-L54 PolarHBondContact O-N 3.03Å; P51-L54 VanDerWaalsContact O-N 3.11Å; N52-L54 VanDerWaalsContact C-N 3.3Å; L54-F66 HydrophobicContact CD1-CE1 3.85Å; L54-F66 HydrophobicContact CD1-CZ 4.21Å; L54-F82 HydrophobicContact CB-CZ 4.33Å; L54-F82 WeakPolarHBondContact O-CZ 3.32Å
55	K	73.9	Confident	73.1	Confident	106 Å²	106	68.5 Å²	68.5	46%	0.461	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-76.3	136.3	171.5	-80.7	174.9	-176.8	125.9	0	110.9	S23 V24 I26	S23-K55 PolarHBondContact O-NZ 3.22Å; S23-K55 WeakPolarHBondContact OG-CE 3.46Å; S23-K55 PolarHBondContact OG-NZ 3.01Å; V24-K55 PolarHBondContact O-N 2.93Å; I26-K55 WeakPolarHBondContact CB-O 3.43Å; I26-K55 PolarHBondContact N-O 2.92Å; I26-K55 VanDerWaalsContact N-O 3.11Å
56	P	72	Confident	74	Confident	36 Å²	36	62.5 Å²	62.5	23%	0.234	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-65.6	152.6	178.2	32.1	-39.2	0	0	0	111	N81 F82	P56-N81 HydrophobicContact CG-CB 4.03Å; P56-N81 WeakPolarHBondContact CG-O 3.42Å; P56-F82 HydrophobicContact CB-CD1 3.86Å; P56-F82 HydrophobicContact CB-CE1 3.93Å; P56-F82 HydrophobicContact CB-CG 4.45Å
57	P	71.5	Confident	74.8	Confident	10 Å²	10	61.3 Å²	61.3	7%	0.065	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-78.3	150.6	177.2	33.7	-32.7	0	0	0	110.9	I26 L39 V41 S59 Y62	I26-P57 HydrophobicContact CG2-CB 4.27Å; I26-P57 HydrophobicContact CG2-CG 4.25Å; L39-P57 HydrophobicContact CD2-CB 3.42Å; L39-P57 VanDerWaalsContact CD2-CB 3.42Å; L39-P57 HydrophobicContact CD2-CG 3.66Å; V41-P57 HydrophobicContact CG2-CG 4.33Å; P57-S59 PolarHBondContact O-N 2.89Å; P57-Y62 HydrophobicContact CG-CD1 3.69Å; P57-Y62 HydrophobicContact CG-CD2 4.4Å; P57-Y62 HydrophobicContact CG-CE1 3.75Å; P57-Y62 HydrophobicContact CG-CE2 4.49Å; P57-Y62 HydrophobicContact CG-CG 4Å
58	W	64.6	Low	75.6	Confident	220 Å²	220	61.6 Å²	61.6	83%	0.833	28%	0.281	S	S	*	.	S	Bend	trans	-70.1	13.7	-178.6	-61.1	-75.1	0	0	0	115.8	E25	E25-W58 VanDerWaalsContact CD-CZ3 3.42Å; E25-W58 HydrophobicContact CG-CH2 4.44Å; E25-W58 HydrophobicContact CG-CZ3 4.44Å; E25-W58 VanDerWaalsContact OE1-CZ3 3.25Å; E25-W58 WeakPolarHBondContact OE1-CZ3 3.4Å; E25-W58 WeakPolarHBondContact OE2-CH2 3.39Å; E25-W58 WeakPolarHBondContact OE2-CZ3 3.39Å
59	S	66.3	Low	76.4	Confident	27 Å²	27	61.1 Å²	61.1	19%	0.189	28%	0.278	C	S	.	.			trans	-78.3	148.3	178	-176.8	0	0	0	0	112.1	P57 F61 H84	P57-S59 PolarHBondContact O-N 2.89Å; S59-F61 VanDerWaalsContact C-N 3.29Å; S59-F61 PolarHBondContact O-N 2.95Å; S59-F61 PolarHBondContact OG-N 2.71Å; S59-F61 PolarHBondContact OG-O 2.64Å; S59-H84 PolarHBondContact O-ND1 3.34Å
60	N	68.1	Low	77.3	Confident	122 Å²	122	58.6 Å²	58.6	65%	0.652	27%	0.271	S	S	*	.	S	Bend	trans	-70.8	-22.3	174.4	-73.6	-16.7	0	0	0	113.4	H84	N60-H84 VanDerWaalsContact O-CB 3.31Å; N60-H84 WeakPolarHBondContact O-CB 3.38Å
61	F	79.9	Confident	78.2	Confident	112 Å²	112	51.8 Å²	51.8	49%	0.491	25%	0.245	S	C	.	.	S	Bend	trans	-150.9	143.6	173.3	-67.6	-66.3	0	0	0	111	L39 S59 H84 V86	L39-F61 PolarHBondContact N-O 3.15Å; S59-F61 VanDerWaalsContact C-N 3.29Å; S59-F61 PolarHBondContact O-N 2.95Å; S59-F61 PolarHBondContact OG-N 2.71Å; S59-F61 PolarHBondContact OG-O 2.64Å; F61-H84 WeakPolarHBondContact CA-O 3.37Å; F61-V86 HydrophobicContact CB-CG2 3.97Å; F61-V86 HydrophobicContact CD1-CG2 3.63Å; F61-V86 HydrophobicContact CG-CG2 4.15Å
62	Y	85.8	Confident	78.8	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.008	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	161.8	177.8	47.1	-99.1	0	0	0	114.5	L39 P57 L64 F82 H84 A85 V86	L39-Y62 CarbonylContact O-C 3.49Å; L39-Y62 WeakPolarHBondContact O-CA 3.42Å; L39-Y62 WeakPolarHBondContact O-CB 3.41Å; P57-Y62 HydrophobicContact CG-CD1 3.69Å; P57-Y62 HydrophobicContact CG-CD2 4.4Å; P57-Y62 HydrophobicContact CG-CE1 3.75Å; P57-Y62 HydrophobicContact CG-CE2 4.49Å; P57-Y62 HydrophobicContact CG-CG 4Å; Y62-L64 HydrophobicContact CD2-CD1 4.47Å; Y62-L64 HydrophobicContact CD2-CD2 3.65Å; Y62-L64 HydrophobicContact CD2-CG 3.9Å; Y62-L64 HydrophobicContact CE2-CD1 4.14Å; Y62-L64 HydrophobicContact CE2-CD2 3.88Å; Y62-L64 HydrophobicContact CE2-CG 4.07Å; Y62-F82 HydrophobicContact CE2-CB 4.43Å; Y62-F82 AromaticContact CE2-CD1 3.98Å; Y62-F82 HydrophobicContact CE2-CD1 3.98Å; Y62-F82 VanDerWaalsContact OH-CA 3.26Å; Y62-F82 WeakPolarHBondContact OH-CA 3.3Å; Y62-H84 HydrophobicContact CD1-CB 4.13Å; Y62-H84 HydrophobicContact CE1-CB 3.66Å; Y62-H84 PolarHBondContact N-O 3.38Å; Y62-H84 VanDerWaalsContact N-O 3.12Å; Y62-A85 HydrophobicContact CD2-CB 4.06Å; Y62-A85 HydrophobicContact CE2-CB 3.75Å; Y62-A85 CarbonylContact O-C 3.49Å; Y62-A85 WeakPolarHBondContact O-CA 3.47Å; Y62-V86 PolarHBondContact O-N 3.41Å
63	H	87.7	Confident	79.8	Confident	35 Å²	35	55.3 Å²	55.3	16%	0.162	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.8	174.3	-65.9	-117.4	0	0	0	109.2	V38 L39 Y40 V41 S87	V38-H63 VanDerWaalsContact CG1-CD2 3.48Å; V38-H63 WeakPolarHBondContact CG1-CD2 3.47Å; L39-H63 PolarHBondContact O-N 2.87Å; Y40-H63 HydrophobicContact CD1-CB 3.74Å; Y40-H63 AromaticContact CD1-CG 3.99Å; Y40-H63 HydrophobicContact CE1-CB 3.98Å; Y40-H63 AromaticContact CE1-CD2 3.79Å; Y40-H63 AromaticContact CE1-CG 3.69Å; V41-H63 PolarHBondContact N-O 2.7Å; H63-S87 VanDerWaalsContact ND1-CB 3.31Å; H63-S87 WeakPolarHBondContact ND1-CB 3.41Å
64	L	88.8	Confident	80.8	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.2	-177.6	-60.1	179.2	0	0	0	110.7	I26 V41 Y62 F66 F82 A85 S87 L88 H89	I26-L64 HydrophobicContact CD1-CD2 4.47Å; V41-L64 HydrophobicContact CB-CD2 3.96Å; V41-L64 HydrophobicContact CG1-CD2 4.41Å; V41-L64 HydrophobicContact CG2-CD2 4.11Å; Y62-L64 HydrophobicContact CD2-CD1 4.47Å; Y62-L64 HydrophobicContact CD2-CD2 3.65Å; Y62-L64 HydrophobicContact CD2-CG 3.9Å; Y62-L64 HydrophobicContact CE2-CD1 4.14Å; Y62-L64 HydrophobicContact CE2-CD2 3.88Å; Y62-L64 HydrophobicContact CE2-CG 4.07Å; L64-F66 HydrophobicContact CB-CD2 4.3Å; L64-F66 HydrophobicContact CB-CE2 3.98Å; L64-F66 HydrophobicContact CD1-CE2 4.18Å; L64-F82 HydrophobicContact CD1-CB 4.24Å; L64-F82 HydrophobicContact CD1-CD1 3.74Å; L64-F82 HydrophobicContact CD1-CE1 4.36Å; L64-F82 HydrophobicContact CD1-CG 4.12Å; L64-F82 HydrophobicContact CD2-CD1 4.39Å; L64-A85 HydrophobicContact CD1-CB 3.88Å; L64-A85 HydrophobicContact CG-CB 4.2Å; L64-S87 PolarHBondContact N-O 3.18Å; L64-L88 HydrophobicContact CB-CD1 3.95Å; L64-L88 HydrophobicContact CD1-CD1 4.39Å; L64-L88 WeakPolarHBondContact O-CA 3.05Å; L64-H89 PolarHBondContact O-N 3.27Å
65	N	88.3	Confident	81.6	Confident	29 Å²	29	55.2 Å²	55.2	16%	0.155	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	114.5	171.4	-174.2	10.4	0	0	0	111.5	V41 N42 C43 Q67 H89	V41-N65 PolarHBondContact O-N 2.98Å; N42-N65 PolarHBondContact OD1-ND2 3.35Å; C43-N65 WeakPolarHBondContact CA-O 3.49Å; C43-N65 VanDerWaalsContact CB-O 3.31Å; C43-N65 WeakPolarHBondContact CB-O 3.3Å; C43-N65 PolarHBondContact N-O 2.98Å; N65-Q67 VanDerWaalsContact OD1-CB 3.26Å; N65-Q67 WeakPolarHBondContact OD1-CB 3.37Å; N65-Q67 WeakPolarHBondContact OD1-CG 3.49Å; N65-Q67 PolarHBondContact OD1-N 2.9Å; N65-H89 HydrophobicContact CB-CB 4.47Å
66	F	88.2	Confident	82.3	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.255	C	S	.	.			trans	-117.3	22	173.7	-67.6	-76.2	0	0	0	112.2	I26 C43 V48 P51 L54 L64 N69 F79 L88 H89 L90 N93	I26-F66 HydrophobicContact CD1-CE1 4.48Å; I26-F66 HydrophobicContact CD1-CZ 3.97Å; C43-F66 HydrophobicContact CB-CD1 3.54Å; C43-F66 HydrophobicContact CB-CE1 3.75Å; C43-F66 HydrophobicContact CB-CG 4.42Å; C43-F66 WeakPolarHBondContact SG-CE1 3.42Å; V48-F66 HydrophobicContact CG1-CD1 4.41Å; V48-F66 HydrophobicContact CG1-CE1 4.24Å; P51-F66 HydrophobicContact CB-CZ 4.33Å; L54-F66 HydrophobicContact CD1-CE1 3.85Å; L54-F66 HydrophobicContact CD1-CZ 4.21Å; L64-F66 HydrophobicContact CB-CD2 4.3Å; L64-F66 HydrophobicContact CB-CE2 3.98Å; L64-F66 HydrophobicContact CD1-CE2 4.18Å; F66-N69 PolarHBondContact O-ND2 2.96Å; F66-F79 HydrophobicContact CD2-CE1 4.45Å; F66-F79 HydrophobicContact CE2-CE1 4.01Å; F66-L88 HydrophobicContact CD2-CD1 3.8Å; F66-L88 HydrophobicContact CE2-CD1 4.19Å; F66-H89 CarbonylContact C-O 3.21Å; F66-H89 WeakPolarHBondContact CA-O 3.24Å; F66-H89 PolarHBondContact N-O 3.12Å; F66-L90 HydrophobicContact CB-CD2 4.02Å; F66-N93 PolarHBondContact O-ND2 3.35Å
67	Q	86.6	Confident	82.9	Confident	34 Å²	34	54.8 Å²	54.8	16%	0.159	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	159.7	178.8	-71.7	179.6	-2.8	0	0	113.3	E44 N65 N69 H89 G91	E44-Q67 WeakPolarHBondContact CA-O 3.35Å; E44-Q67 HydrophobicContact CG-CB 4.43Å; E44-Q67 VanDerWaalsContact CG-O 3.28Å; E44-Q67 WeakPolarHBondContact CG-O 3.43Å; N65-Q67 VanDerWaalsContact OD1-CB 3.26Å; N65-Q67 WeakPolarHBondContact OD1-CB 3.37Å; N65-Q67 WeakPolarHBondContact OD1-CG 3.49Å; N65-Q67 PolarHBondContact OD1-N 2.9Å; Q67-N69 PolarHBondContact O-N 3.46Å; Q67-N69 PolarHBondContact O-ND2 3.4Å; Q67-N69 VanDerWaalsContact O-ND2 3.11Å; Q67-H89 HydrophobicContact CG-CB 3.93Å; Q67-G91 VanDerWaalsContact CA-O 3.24Å; Q67-G91 WeakPolarHBondContact CA-O 3.38Å; Q67-G91 WeakPolarHBondContact CG-O 3.39Å
68	N	83.8	Confident	83.6	Confident	59 Å²	59	54.5 Å²	54.5	32%	0.316	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	38.1	177.1	-60	-49.6	0	0	0	113.7	E44 K45 G91 N92	E44-N68 HydrophobicContact CG-CB 3.95Å; E44-N68 PolarHBondContact OE1-ND2 3.06Å; K45-N68 WeakPolarHBondContact CA-O 3.45Å; K45-N68 HydrophobicContact CG-CB 3.89Å; N68-G91 PolarHBondContact N-O 3.49Å; N68-N92 WeakPolarHBondContact CA-O 3.32Å; N68-N92 PolarHBondContact N-O 3.14Å; N68-N92 WeakPolarHBondContact OD1-CB 3.29Å
69	N	83.8	Confident	84.7	Confident	4 Å²	4	44 Å²	44	2%	0.021	22%	0.221	C	C	.	.	S	Bend	trans	-107.5	178.4	172.5	-81.2	-77.4	0	0	0	111	C43 V46 S47 V48 F66 Q67 L71 N93	C43-N69 PolarHBondContact O-ND2 3.07Å; V46-N69 PolarHBondContact N-OD1 3.04Å; S47-N69 WeakPolarHBondContact CA-OD1 3.33Å; S47-N69 PolarHBondContact N-OD1 3.1Å; V48-N69 PolarHBondContact N-OD1 2.91Å; F66-N69 PolarHBondContact O-ND2 2.96Å; Q67-N69 PolarHBondContact O-N 3.46Å; Q67-N69 PolarHBondContact O-ND2 3.4Å; Q67-N69 VanDerWaalsContact O-ND2 3.11Å; N69-L71 HydrophobicContact CB-CG 4.44Å; N69-N93 WeakPolarHBondContact CA-OD1 3.36Å; N69-N93 VanDerWaalsContact CB-OD1 3.24Å; N69-N93 WeakPolarHBondContact CB-OD1 3.41Å; N69-N93 PolarHBondContact O-OD1 2.83Å
70	F	82.8	Confident	85.6	Confident	103 Å²	103	46.1 Å²	46.1	45%	0.452	23%	0.232	S	C	.	.			trans	-102.9	37.4	-179	-59.3	-69.2	0	0	0	112.6	Y49 N72	Y49-F70 HydrophobicContact CD1-CB 4.31Å; Y49-F70 HydrophobicContact CE1-CB 3.85Å; F70-N72 PolarHBondContact O-N 3.06Å
71	L	86.3	Confident	86.2	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.01	22%	0.224	C	C	.	.			trans	-71.7	123.6	175.3	-60.6	170.8	0	0	0	109.9	V48 P51 N69 L74 L90 N93 K94 L95	V48-L71 WeakPolarHBondContact O-CD2 3.37Å; P51-L71 HydrophobicContact CG-CD2 4.44Å; N69-L71 HydrophobicContact CB-CG 4.44Å; L71-L74 HydrophobicContact CD1-CD2 4.48Å; L71-L90 HydrophobicContact CD1-CD2 3.61Å; L71-N93 HydrophobicContact CB-CB 4.29Å; L71-N93 VanDerWaalsContact CB-OD1 3.28Å; L71-N93 WeakPolarHBondContact CB-OD1 3.41Å; L71-N93 WeakPolarHBondContact CG-OD1 3.33Å; L71-N93 PolarHBondContact N-OD1 2.87Å; L71-K94 CarbonylContact O-C 3.5Å; L71-K94 WeakPolarHBondContact O-CA 3.45Å; L71-K94 PolarHBondContact O-N 3.16Å; L71-L95 HydrophobicContact CB-CD2 3.7Å; L71-L95 HydrophobicContact CB-CG 4.28Å; L71-L95 PolarHBondContact O-N 2.87Å; L71-L95 VanDerWaalsContact O-N 3.13Å
72	N	87.3	Confident	86.5	Confident	88 Å²	88	39.3 Å²	39.3	47%	0.471	20%	0.201	S	C	.	.			trans	-106.5	-35.3	-179	-65.2	-24.3	0	0	0	113.4	F70 K94 L95 Q96	F70-N72 PolarHBondContact O-N 3.06Å; N72-K94 WeakPolarHBondContact CA-O 3.42Å; N72-K94 WeakPolarHBondContact OD1-CB 3.26Å; N72-L95 WeakPolarHBondContact O-CA 3.2Å; N72-Q96 PolarHBondContact O-N 3.11Å
73	I	88.7	Confident	86.4	Confident	62 Å²	62	41.2 Å²	41.2	32%	0.318	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	137.3	-178.5	-58	178	0	0	0	108	Y75 N97 E99	I73-Y75 HydrophobicContact CB-CE2 4.49Å; I73-Y75 HydrophobicContact CG2-CD1 4.33Å; I73-Y75 HydrophobicContact CG2-CE1 4.02Å; I73-Y75 HydrophobicContact CG2-CE2 4.41Å; I73-N97 WeakPolarHBondContact CA-O 3.37Å; I73-E99 HydrophobicContact CG2-CG 4.37Å
74	L	90.6	Very high	86.4	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.1	166.1	-57.5	179	0	0	0	109.4	L71 T78 F79 L90 L95 N97 I98 E99 A102 F103	L71-L74 HydrophobicContact CD1-CD2 4.48Å; L74-T78 HydrophobicContact CD2-CG2 4.45Å; L74-F79 HydrophobicContact CD1-CE2 4.31Å; L74-L90 HydrophobicContact CD1-CD1 3.93Å; L74-L95 HydrophobicContact CD1-CD1 4.13Å; L74-L95 HydrophobicContact CD1-CD2 4.46Å; L74-L95 HydrophobicContact CD2-CD2 3.95Å; L74-L95 HydrophobicContact CG-CD1 4.31Å; L74-L95 HydrophobicContact CG-CD2 3.75Å; L74-N97 PolarHBondContact N-O 3.2Å; L74-I98 HydrophobicContact CB-CG2 4.35Å; L74-I98 HydrophobicContact CD1-CD1 4.43Å; L74-I98 HydrophobicContact CD1-CG1 4.16Å; L74-E99 WeakPolarHBondContact O-CB 3.11Å; L74-E99 PolarHBondContact O-N 3.39Å; L74-A102 HydrophobicContact CB-CB 3.82Å; L74-F103 HydrophobicContact CD1-CE1 3.97Å; L74-F103 HydrophobicContact CD1-CZ 4.06Å
75	Y	88.6	Confident	86.4	Confident	107 Å²	107	43.2 Å²	43.2	42%	0.42	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-87.3	160.7	179.7	-67.2	-71.9	0	0	0	111.6	I73 T78 E99 A102	I73-Y75 HydrophobicContact CB-CE2 4.49Å; I73-Y75 HydrophobicContact CG2-CD1 4.33Å; I73-Y75 HydrophobicContact CG2-CE1 4.02Å; I73-Y75 HydrophobicContact CG2-CE2 4.41Å; Y75-T78 PolarHBondContact N-OG1 2.03Å; Y75-T78 WeakPolarHBondContact O-CB 3.4Å; Y75-T78 PolarHBondContact O-N 2.97Å; Y75-T78 PolarHBondContact O-OG1 3.39Å; Y75-E99 WeakPolarHBondContact CD1-OE2 3.46Å; Y75-A102 VanDerWaalsContact O-CA 3.24Å; Y75-A102 WeakPolarHBondContact O-CA 3.41Å; Y75-A102 VanDerWaalsContact O-CB 3.29Å; Y75-A102 WeakPolarHBondContact O-CB 3.26Å
76	P	87.8	Confident	86.5	Confident	59 Å²	59	43 Å²	43	38%	0.383	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	145.7	174.9	-24.7	35.5	0	0	0	111.7	T78 E99	P76-T78 PolarHBondContact O-N 3.1Å; P76-E99 WeakPolarHBondContact CD-OE2 3.3Å; P76-E99 HydrophobicContact CG-CB 4.13Å
77	N	86.2	Confident	86.6	Confident	73 Å²	73	43 Å²	43	39%	0.39	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	17	-179.7	-51.4	-39.2	0	0	0	115.2	F79 V80 G101 L104	N77-F79 PolarHBondContact O-N 3.34Å; N77-F79 VanDerWaalsContact O-N 3.12Å; N77-V80 HydrophobicContact CB-CB 4.04Å; N77-V80 HydrophobicContact CB-CG1 4.32Å; N77-V80 WeakPolarHBondContact O-CB 3.42Å; N77-V80 WeakPolarHBondContact O-CG1 3.44Å; N77-V80 PolarHBondContact O-N 3.46Å; N77-V80 VanDerWaalsContact O-N 3.17Å; N77-G101 PolarHBondContact N-O 2.03Å; N77-L104 WeakPolarHBondContact OD1-CD2 3.48Å
78	T	85.3	Confident	86.9	Confident	4 Å²	4	41.4 Å²	41.4	3%	0.025	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-38.4	178.2	-70.5	0	0	0	0	112.6	P51 L74 Y75 P76 A102	P51-T78 HydrophobicContact CB-CG2 3.88Å; P51-T78 HydrophobicContact CG-CG2 3.84Å; L74-T78 HydrophobicContact CD2-CG2 4.45Å; Y75-T78 PolarHBondContact N-OG1 2.03Å; Y75-T78 WeakPolarHBondContact O-CB 3.4Å; Y75-T78 PolarHBondContact O-N 2.97Å; Y75-T78 PolarHBondContact O-OG1 3.39Å; P76-T78 PolarHBondContact O-N 3.1Å; T78-A102 PolarHBondContact N-O 3.03Å
79	F	87.5	Confident	87.2	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	21.5	-176.5	-61.2	-75.3	0	0	0	114.4	P51 F66 L74 N77 N81 F82 L88 L90 A102 F103 L104 L106	P51-F79 HydrophobicContact CB-CD1 4.31Å; P51-F79 HydrophobicContact CB-CE1 3.69Å; P51-F79 HydrophobicContact CB-CZ 4.18Å; P51-F79 HydrophobicContact CG-CE1 3.97Å; P51-F79 HydrophobicContact CG-CZ 3.98Å; F66-F79 HydrophobicContact CD2-CE1 4.45Å; F66-F79 HydrophobicContact CE2-CE1 4.01Å; L74-F79 HydrophobicContact CD1-CE2 4.31Å; N77-F79 PolarHBondContact O-N 3.34Å; N77-F79 VanDerWaalsContact O-N 3.12Å; F79-N81 PolarHBondContact O-N 3.1Å; F79-N81 VanDerWaalsContact O-N 3.07Å; F79-F82 HydrophobicContact CB-CD2 4.39Å; F79-F82 HydrophobicContact CD1-CD2 4.18Å; F79-F82 PolarHBondContact O-N 3.49Å; F79-L88 HydrophobicContact CD1-CD2 4.47Å; F79-L88 HydrophobicContact CD2-CD2 4.2Å; F79-L88 HydrophobicContact CE1-CD1 4.12Å; F79-L88 HydrophobicContact CE1-CD2 4.23Å; F79-L88 HydrophobicContact CE2-CD2 3.94Å; F79-L88 HydrophobicContact CG-CD2 4.46Å; F79-L88 HydrophobicContact CZ-CD1 4.22Å; F79-L88 HydrophobicContact CZ-CD2 3.96Å; F79-L90 HydrophobicContact CE2-CD1 4.34Å; F79-L90 HydrophobicContact CZ-CD1 4.27Å; F79-L90 HydrophobicContact CZ-CD2 4.28Å; F79-A102 PolarHBondContact N-O 2.65Å; F79-F103 AromaticContact CD2-CD1 3.93Å; F79-F103 HydrophobicContact CD2-CD1 3.93Å; F79-F103 HydrophobicContact CD2-CE1 4.41Å; F79-F103 HydrophobicContact CE2-CD1 4.13Å; F79-F103 HydrophobicContact CE2-CE1 4.14Å; F79-L104 CarbonylContact C-O 3.29Å; F79-L106 HydrophobicContact CB-CD1 3.69Å; F79-L106 HydrophobicContact CB-CD2 3.68Å; F79-L106 HydrophobicContact CB-CG 3.54Å; F79-L106 HydrophobicContact CD2-CD1 4Å; F79-L106 HydrophobicContact CG-CD1 3.89Å; F79-L106 HydrophobicContact CG-CD2 4.35Å; F79-L106 HydrophobicContact CG-CG 4.28Å
80	V	84.9	Confident	87.6	Confident	71 Å²	71	40.8 Å²	40.8	43%	0.43	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.2	-171.9	69.2	0	0	0	0	114.7	N77 L104	N77-V80 HydrophobicContact CB-CB 4.04Å; N77-V80 HydrophobicContact CB-CG1 4.32Å; N77-V80 WeakPolarHBondContact O-CB 3.42Å; N77-V80 WeakPolarHBondContact O-CG1 3.44Å; N77-V80 PolarHBondContact O-N 3.46Å; N77-V80 VanDerWaalsContact O-N 3.17Å; V80-L104 VanDerWaalsContact CA-O 3.23Å; V80-L104 WeakPolarHBondContact CA-O 3.35Å; V80-L104 PolarHBondContact N-O 2.88Å
81	N	81.9	Confident	87.9	Confident	91 Å²	91	35.9 Å²	35.9	49%	0.487	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-7.2	179.8	-63.6	-30.9	0	0	0	114	P56 F79 S83	P56-N81 HydrophobicContact CG-CB 4.03Å; P56-N81 WeakPolarHBondContact CG-O 3.42Å; F79-N81 PolarHBondContact O-N 3.1Å; F79-N81 VanDerWaalsContact O-N 3.07Å; N81-S83 PolarHBondContact O-N 3.26Å
82	F	85.3	Confident	87.9	Confident	1 Å²	1	38.1 Å²	38.1	0%	0.004	20%	0.202	C	C	.	.			trans	-98.9	42.4	-168.1	-67.2	-88.8	0	0	0	113.6	I26 L54 P56 Y62 L64 F79 H84 A85 L106	I26-F82 HydrophobicContact CD1-CE1 4.01Å; I26-F82 HydrophobicContact CD1-CZ 4.33Å; L54-F82 HydrophobicContact CB-CZ 4.33Å; L54-F82 WeakPolarHBondContact O-CZ 3.32Å; P56-F82 HydrophobicContact CB-CD1 3.86Å; P56-F82 HydrophobicContact CB-CE1 3.93Å; P56-F82 HydrophobicContact CB-CG 4.45Å; Y62-F82 HydrophobicContact CE2-CB 4.43Å; Y62-F82 AromaticContact CE2-CD1 3.98Å; Y62-F82 HydrophobicContact CE2-CD1 3.98Å; Y62-F82 VanDerWaalsContact OH-CA 3.26Å; Y62-F82 WeakPolarHBondContact OH-CA 3.3Å; L64-F82 HydrophobicContact CD1-CB 4.24Å; L64-F82 HydrophobicContact CD1-CD1 3.74Å; L64-F82 HydrophobicContact CD1-CE1 4.36Å; L64-F82 HydrophobicContact CD1-CG 4.12Å; L64-F82 HydrophobicContact CD2-CD1 4.39Å; F79-F82 HydrophobicContact CB-CD2 4.39Å; F79-F82 HydrophobicContact CD1-CD2 4.18Å; F79-F82 PolarHBondContact O-N 3.49Å; F82-H84 PolarHBondContact O-N 3.11Å; F82-A85 WeakPolarHBondContact O-CB 3.34Å; F82-A85 PolarHBondContact O-N 3.35Å; F82-A85 VanDerWaalsContact O-N 3.11Å; F82-L106 HydrophobicContact CB-CD2 3.8Å; F82-L106 WeakPolarHBondContact O-CD2 3.44Å
83	S	85.1	Confident	87.9	Confident	42 Å²	42	34.4 Å²	34.4	29%	0.294	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-21	-170	58.2	0	0	0	0	116.3	N81 G105 A108	N81-S83 PolarHBondContact O-N 3.26Å; S83-G105 VanDerWaalsContact CA-O 3.31Å; S83-G105 WeakPolarHBondContact CA-O 3.46Å; S83-A108 WeakPolarHBondContact O-CB 3.47Å; S83-A108 PolarHBondContact O-N 3.04Å
84	H	86.8	Confident	87.8	Confident	77 Å²	77	36.2 Å²	36.2	36%	0.356	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	9.5	-175.6	-58	153.7	0	0	0	113.8	S59 N60 F61 Y62 F82 V86	S59-H84 PolarHBondContact O-ND1 3.34Å; N60-H84 VanDerWaalsContact O-CB 3.31Å; N60-H84 WeakPolarHBondContact O-CB 3.38Å; F61-H84 WeakPolarHBondContact CA-O 3.37Å; Y62-H84 HydrophobicContact CD1-CB 4.13Å; Y62-H84 HydrophobicContact CE1-CB 3.66Å; Y62-H84 PolarHBondContact N-O 3.38Å; Y62-H84 VanDerWaalsContact N-O 3.12Å; F82-H84 PolarHBondContact O-N 3.11Å; H84-V86 PolarHBondContact O-N 2.9Å
85	A	88.4	Confident	87.9	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	124.9	173	0	0	0	0	0	110.9	Y62 L64 F82 L106 A108 L109	Y62-A85 HydrophobicContact CD2-CB 4.06Å; Y62-A85 HydrophobicContact CE2-CB 3.75Å; Y62-A85 CarbonylContact O-C 3.49Å; Y62-A85 WeakPolarHBondContact O-CA 3.47Å; L64-A85 HydrophobicContact CD1-CB 3.88Å; L64-A85 HydrophobicContact CG-CB 4.2Å; F82-A85 WeakPolarHBondContact O-CB 3.34Å; F82-A85 PolarHBondContact O-N 3.35Å; F82-A85 VanDerWaalsContact O-N 3.11Å; A85-L106 HydrophobicContact CB-CD2 3.89Å; A85-A108 CarbonylContact O-C 3.07Å; A85-A108 VanDerWaalsContact O-C 3.29Å; A85-L109 HydrophobicContact CB-CD1 4.32Å; A85-L109 VanDerWaalsContact O-CA 3.28Å; A85-L109 WeakPolarHBondContact O-CA 3.24Å; A85-L109 PolarHBondContact O-N 3.14Å
86	V	90.1	Very high	87.9	Confident	26 Å²	26	35.1 Å²	35.1	16%	0.158	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-38.8	179.4	-179.6	0	0	0	0	111.2	F61 Y62 H84 K110 Q111	F61-V86 HydrophobicContact CB-CG2 3.97Å; F61-V86 HydrophobicContact CD1-CG2 3.63Å; F61-V86 HydrophobicContact CG-CG2 4.15Å; Y62-V86 PolarHBondContact O-N 3.41Å; H84-V86 PolarHBondContact O-N 2.9Å; V86-K110 HydrophobicContact CG1-CB 4.46Å; V86-K110 HydrophobicContact CG1-CD 4.08Å; V86-K110 PolarHBondContact O-N 2.93Å; V86-Q111 PolarHBondContact O-N 3.44Å; V86-Q111 VanDerWaalsContact O-N 3.16Å
87	S	91.2	Very high	88	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	147.1	169.9	-171.5	0	0	0	0	111.5	H63 L64 H89 Q111	H63-S87 VanDerWaalsContact ND1-CB 3.31Å; H63-S87 WeakPolarHBondContact ND1-CB 3.41Å; L64-S87 PolarHBondContact N-O 3.18Å; S87-H89 PolarHBondContact OG-CD2 2.87Å; S87-H89 PolarHBondContact OG-NE2 2.94Å; S87-Q111 WeakPolarHBondContact CA-O 3.32Å; S87-Q111 VanDerWaalsContact OG-CB 3.3Å; S87-Q111 WeakPolarHBondContact OG-CB 3.07Å
88	L	92.7	Very high	88.3	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	113.4	176.1	175.8	57.2	0	0	0	109.7	L64 F66 F79 L90 F103 L106 L109 Q111 L112 H113	L64-L88 HydrophobicContact CB-CD1 3.95Å; L64-L88 HydrophobicContact CD1-CD1 4.39Å; L64-L88 WeakPolarHBondContact O-CA 3.05Å; F66-L88 HydrophobicContact CD2-CD1 3.8Å; F66-L88 HydrophobicContact CE2-CD1 4.19Å; F79-L88 HydrophobicContact CD1-CD2 4.47Å; F79-L88 HydrophobicContact CD2-CD2 4.2Å; F79-L88 HydrophobicContact CE1-CD1 4.12Å; F79-L88 HydrophobicContact CE1-CD2 4.23Å; F79-L88 HydrophobicContact CE2-CD2 3.94Å; F79-L88 HydrophobicContact CG-CD2 4.46Å; F79-L88 HydrophobicContact CZ-CD1 4.22Å; F79-L88 HydrophobicContact CZ-CD2 3.96Å; L88-L90 HydrophobicContact CD1-CD1 4.24Å; L88-L90 HydrophobicContact CD1-CG 4.05Å; L88-L90 HydrophobicContact CD2-CD1 3.78Å; L88-L90 HydrophobicContact CD2-CG 4.48Å; L88-L90 HydrophobicContact CG-CD1 3.82Å; L88-L90 HydrophobicContact CG-CG 4.02Å; L88-F103 HydrophobicContact CD2-CD1 4.18Å; L88-F103 HydrophobicContact CD2-CE1 4.1Å; L88-L106 HydrophobicContact CD2-CD1 3.56Å; L88-L109 HydrophobicContact CB-CD1 3.72Å; L88-L109 HydrophobicContact CB-CD2 4.36Å; L88-Q111 PolarHBondContact N-O 3.06Å; L88-L112 HydrophobicContact CB-CD1 4.19Å; L88-L112 HydrophobicContact CD2-CD1 4.15Å; L88-L112 HydrophobicContact CG-CD1 4.12Å; L88-H113 PolarHBondContact O-N 2.99Å
89	H	90.9	Very high	88.5	Confident	49 Å²	49	33.7 Å²	33.7	23%	0.227	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	114.3	178.2	-59.1	-143.5	0	0	0	109.4	L64 N65 F66 Q67 S87 H113	L64-H89 PolarHBondContact O-N 3.27Å; N65-H89 HydrophobicContact CB-CB 4.47Å; F66-H89 CarbonylContact C-O 3.21Å; F66-H89 WeakPolarHBondContact CA-O 3.24Å; F66-H89 PolarHBondContact N-O 3.12Å; Q67-H89 HydrophobicContact CG-CB 3.93Å; S87-H89 PolarHBondContact OG-CD2 2.87Å; S87-H89 PolarHBondContact OG-NE2 2.94Å; H89-H113 AromaticContact CD2-CD2 3.63Å; H89-H113 AromaticContact CE1-CD2 3.94Å; H89-H113 AromaticContact CE1-NE2 3.9Å; H89-H113 AromaticContact CG-CD2 3.85Å; H89-H113 AromaticContact NE2-CD2 3.7Å; H89-H113 AromaticContact NE2-NE2 3.72Å
90	L	91.3	Very high	88.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.184	C	C	.	.			trans	-121.4	10.9	179.9	-75.3	163.4	0	0	0	112	F66 L71 L74 F79 L88 N93 L95 F103 L112 H113 L114 N117	F66-L90 HydrophobicContact CB-CD2 4.02Å; L71-L90 HydrophobicContact CD1-CD2 3.61Å; L74-L90 HydrophobicContact CD1-CD1 3.93Å; F79-L90 HydrophobicContact CE2-CD1 4.34Å; F79-L90 HydrophobicContact CZ-CD1 4.27Å; F79-L90 HydrophobicContact CZ-CD2 4.28Å; L88-L90 HydrophobicContact CD1-CD1 4.24Å; L88-L90 HydrophobicContact CD1-CG 4.05Å; L88-L90 HydrophobicContact CD2-CD1 3.78Å; L88-L90 HydrophobicContact CD2-CG 4.48Å; L88-L90 HydrophobicContact CG-CD1 3.82Å; L88-L90 HydrophobicContact CG-CG 4.02Å; L90-N93 PolarHBondContact O-ND2 2.85Å; L90-N93 VanDerWaalsContact O-ND2 3.11Å; L90-L95 HydrophobicContact CB-CD1 4.28Å; L90-F103 HydrophobicContact CD1-CE1 3.93Å; L90-F103 HydrophobicContact CD1-CZ 4.47Å; L90-L112 HydrophobicContact CD1-CD1 4.34Å; L90-H113 CarbonylContact C-O 3.17Å; L90-H113 WeakPolarHBondContact CA-O 3.49Å; L90-H113 PolarHBondContact N-O 3.34Å; L90-L114 HydrophobicContact CB-CD2 4Å; L90-L114 HydrophobicContact CD1-CD2 4.05Å; L90-N117 PolarHBondContact O-ND2 3.23Å
91	G	88.4	Confident	88.6	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.			trans	-64.7	164.5	180	0	0	0	0	0	114.4	Q67 N68 N93 H113 N115	Q67-G91 VanDerWaalsContact CA-O 3.24Å; Q67-G91 WeakPolarHBondContact CA-O 3.38Å; Q67-G91 WeakPolarHBondContact CG-O 3.39Å; N68-G91 PolarHBondContact N-O 3.49Å; G91-N93 PolarHBondContact O-N 2.94Å; G91-N93 PolarHBondContact O-ND2 2.86Å; G91-N93 VanDerWaalsContact O-ND2 3.07Å; G91-H113 PolarHBondContact N-O 2.93Å; G91-N115 CarbonylContact C-O 3.45Å; G91-N115 WeakPolarHBondContact CA-O 3.28Å; G91-N115 WeakPolarHBondContact CA-OD1 3.44Å
92	N	86.1	Confident	88.9	Confident	50 Å²	50	27.3 Å²	27.3	27%	0.267	14%	0.143	S	C	.	.	S	Bend	trans	52.9	35.8	-177.8	-52.4	-50	0	0	0	113.6	N68 N115 N116	N68-N92 WeakPolarHBondContact CA-O 3.32Å; N68-N92 PolarHBondContact N-O 3.14Å; N68-N92 WeakPolarHBondContact OD1-CB 3.29Å; N92-N115 PolarHBondContact N-O 3.44Å; N92-N116 VanDerWaalsContact CA-O 3.23Å; N92-N116 WeakPolarHBondContact CA-O 3.02Å; N92-N116 PolarHBondContact N-O 2.97Å; N92-N116 WeakPolarHBondContact OD1-CB 3.01Å; N92-N116 PolarHBondContact OD1-ND2 2.97Å
93	N	87.6	Confident	89.3	Confident	10 Å²	10	27.2 Å²	27.2	5%	0.053	14%	0.142	C	C	.	.	S	Bend	trans	-105	-168.5	172	-85.3	-97.2	0	0	0	109.2	F66 N69 L71 L90 G91 L95 N117	F66-N93 PolarHBondContact O-ND2 3.35Å; N69-N93 WeakPolarHBondContact CA-OD1 3.36Å; N69-N93 VanDerWaalsContact CB-OD1 3.24Å; N69-N93 WeakPolarHBondContact CB-OD1 3.41Å; N69-N93 PolarHBondContact O-OD1 2.83Å; L71-N93 HydrophobicContact CB-CB 4.29Å; L71-N93 VanDerWaalsContact CB-OD1 3.28Å; L71-N93 WeakPolarHBondContact CB-OD1 3.41Å; L71-N93 WeakPolarHBondContact CG-OD1 3.33Å; L71-N93 PolarHBondContact N-OD1 2.87Å; L90-N93 PolarHBondContact O-ND2 2.85Å; L90-N93 VanDerWaalsContact O-ND2 3.11Å; G91-N93 PolarHBondContact O-N 2.94Å; G91-N93 PolarHBondContact O-ND2 2.86Å; G91-N93 VanDerWaalsContact O-ND2 3.07Å; N93-L95 HydrophobicContact CB-CG 4.14Å; N93-N117 VanDerWaalsContact CA-OD1 3.32Å; N93-N117 WeakPolarHBondContact CA-OD1 3.45Å; N93-N117 WeakPolarHBondContact CB-OD1 3.39Å; N93-N117 PolarHBondContact N-OD1 2.94Å; N93-N117 PolarHBondContact O-OD1 2.8Å
94	K	88.1	Confident	89.5	Confident	100 Å²	100	28.5 Å²	28.5	44%	0.435	15%	0.146	S	C	.	.			trans	-114.7	32.1	176.1	-65.6	-169.1	176.3	-170.2	0	111.9	L71 N72 Q96 N117	L71-K94 CarbonylContact O-C 3.5Å; L71-K94 WeakPolarHBondContact O-CA 3.45Å; L71-K94 PolarHBondContact O-N 3.16Å; N72-K94 WeakPolarHBondContact CA-O 3.42Å; N72-K94 WeakPolarHBondContact OD1-CB 3.26Å; K94-Q96 WeakPolarHBondContact O-CG 3.35Å; K94-Q96 PolarHBondContact O-N 3.11Å; K94-N117 PolarHBondContact N-OD1 3.15Å
95	L	91.4	Very high	89.3	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.			trans	-64.9	110.2	-173.7	-68.1	174.2	0	0	0	110.1	L71 N72 L74 L90 N93 L114 N117 E118 L119	L71-L95 HydrophobicContact CB-CD2 3.7Å; L71-L95 HydrophobicContact CB-CG 4.28Å; L71-L95 PolarHBondContact O-N 2.87Å; L71-L95 VanDerWaalsContact O-N 3.13Å; N72-L95 WeakPolarHBondContact O-CA 3.2Å; L74-L95 HydrophobicContact CD1-CD1 4.13Å; L74-L95 HydrophobicContact CD1-CD2 4.46Å; L74-L95 HydrophobicContact CD2-CD2 3.95Å; L74-L95 HydrophobicContact CG-CD1 4.31Å; L74-L95 HydrophobicContact CG-CD2 3.75Å; L90-L95 HydrophobicContact CB-CD1 4.28Å; N93-L95 HydrophobicContact CB-CG 4.14Å; L95-L114 HydrophobicContact CD1-CD2 4.45Å; L95-N117 HydrophobicContact CB-CB 4.31Å; L95-N117 VanDerWaalsContact CB-OD1 3.28Å; L95-N117 WeakPolarHBondContact CB-OD1 3.4Å; L95-N117 WeakPolarHBondContact CG-OD1 3.48Å; L95-N117 PolarHBondContact N-OD1 2.94Å; L95-E118 CarbonylContact O-C 3.51Å; L95-E118 WeakPolarHBondContact O-CA 3.37Å; L95-E118 PolarHBondContact O-N 3.28Å; L95-L119 HydrophobicContact CB-CD2 3.99Å; L95-L119 HydrophobicContact CB-CG 4.48Å; L95-L119 WeakPolarHBondContact O-CD2 3.29Å; L95-L119 WeakPolarHBondContact O-CG 3.22Å; L95-L119 PolarHBondContact O-N 2.84Å
96	Q	90.1	Very high	89.4	Confident	85 Å²	85	26 Å²	26	40%	0.397	14%	0.14	S	C	.	.			trans	-94.2	-27.6	176.2	-57.4	-158.3	14.7	0	0	112.4	N72 K94 E118	N72-Q96 PolarHBondContact O-N 3.11Å; K94-Q96 WeakPolarHBondContact O-CG 3.35Å; K94-Q96 PolarHBondContact O-N 3.11Å; Q96-E118 VanDerWaalsContact CD-OE2 3.29Å; Q96-E118 HydrophobicContact CG-CB 3.8Å; Q96-E118 PolarHBondContact NE2-OE2 3.48Å
97	N	88.3	Confident	89.2	Confident	39 Å²	39	27.8 Å²	27.8	21%	0.209	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	139.3	-176.1	-171.1	49.4	0	0	0	110.8	I73 L74 E99 R123	I73-N97 WeakPolarHBondContact CA-O 3.37Å; L74-N97 PolarHBondContact N-O 3.2Å; N97-E99 VanDerWaalsContact ND2-CG 3.35Å; N97-E99 WeakPolarHBondContact ND2-CG 3.2Å; N97-R123 VanDerWaalsContact OD1-CZ 3.32Å; N97-R123 PolarHBondContact OD1-NH1 3.33Å; N97-R123 PolarHBondContact OD1-NH2 2.84Å
98	I	92.9	Very high	89.1	Confident	4 Å²	4	28.9 Å²	28.9	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.1	166.2	-59.4	172.3	0	0	0	105.4	L74 A102 F103 L114 L119 R123 T126	L74-I98 HydrophobicContact CB-CG2 4.35Å; L74-I98 HydrophobicContact CD1-CD1 4.43Å; L74-I98 HydrophobicContact CD1-CG1 4.16Å; I98-A102 HydrophobicContact CG2-CB 3.8Å; I98-F103 HydrophobicContact CD1-CE2 4.27Å; I98-F103 HydrophobicContact CD1-CZ 4.07Å; I98-F103 HydrophobicContact CG2-CE2 3.98Å; I98-F103 HydrophobicContact CG2-CZ 4.3Å; I98-L114 HydrophobicContact CD1-CD1 4.09Å; I98-L114 HydrophobicContact CD1-CD2 4.1Å; I98-L119 HydrophobicContact CD1-CD1 4Å; I98-L119 HydrophobicContact CD1-CD2 3.97Å; I98-L119 HydrophobicContact CG1-CD2 3.83Å; I98-R123 PolarHBondContact O-NH1 3.46Å; I98-T126 HydrophobicContact CB-CG2 4.08Å; I98-T126 HydrophobicContact CD1-CG2 4.31Å; I98-T126 HydrophobicContact CG2-CG2 4Å
99	E	90.2	Very high	89.1	Confident	63 Å²	63	28.9 Å²	28.9	29%	0.294	16%	0.163	S	C	.	.			trans	-86.9	151.8	178.3	-64.7	-177.5	-175	0	0	110.8	I73 L74 Y75 P76 N97 G101 A102	I73-E99 HydrophobicContact CG2-CG 4.37Å; L74-E99 WeakPolarHBondContact O-CB 3.11Å; L74-E99 PolarHBondContact O-N 3.39Å; Y75-E99 WeakPolarHBondContact CD1-OE2 3.46Å; P76-E99 WeakPolarHBondContact CD-OE2 3.3Å; P76-E99 HydrophobicContact CG-CB 4.13Å; N97-E99 VanDerWaalsContact ND2-CG 3.35Å; N97-E99 WeakPolarHBondContact ND2-CG 3.2Å; E99-G101 PolarHBondContact O-N 3.3Å; E99-A102 VanDerWaalsContact O-CB 3.29Å; E99-A102 WeakPolarHBondContact O-CB 3.45Å; E99-A102 PolarHBondContact O-N 3.42Å
100	G	87.6	Confident	89.2	Confident	22 Å²	22	30.4 Å²	30.4	23%	0.227	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	129	-175.6	0	0	0	0	0	112.7	A102 D125	G100-A102 VanDerWaalsContact C-N 3.33Å; G100-A102 PolarHBondContact O-N 3.32Å; G100-D125 VanDerWaalsContact CA-CG 3.41Å; G100-D125 VanDerWaalsContact CA-OD2 3.22Å; G100-D125 WeakPolarHBondContact CA-OD2 3.34Å
101	G	85.7	Confident	89.3	Confident	5 Å²	5	32.5 Å²	32.5	5%	0.052	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	20	-177.5	0	0	0	0	0	115.2	N77 E99 F103 L104 D125	N77-G101 PolarHBondContact N-O 2.03Å; E99-G101 PolarHBondContact O-N 3.3Å; G101-F103 PolarHBondContact O-N 2.86Å; G101-L104 WeakPolarHBondContact O-CB 3.19Å; G101-L104 PolarHBondContact O-N 3.28Å; G101-D125 PolarHBondContact N-O 3.03Å
102	A	90.1	Very high	89.6	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-33.7	170.3	0	0	0	0	0	113.2	L74 Y75 T78 F79 I98 E99 G100 L104	L74-A102 HydrophobicContact CB-CB 3.82Å; Y75-A102 VanDerWaalsContact O-CA 3.24Å; Y75-A102 WeakPolarHBondContact O-CA 3.41Å; Y75-A102 VanDerWaalsContact O-CB 3.29Å; Y75-A102 WeakPolarHBondContact O-CB 3.26Å; T78-A102 PolarHBondContact N-O 3.03Å; F79-A102 PolarHBondContact N-O 2.65Å; I98-A102 HydrophobicContact CG2-CB 3.8Å; E99-A102 VanDerWaalsContact O-CB 3.29Å; E99-A102 WeakPolarHBondContact O-CB 3.45Å; E99-A102 PolarHBondContact O-N 3.42Å; G100-A102 VanDerWaalsContact C-N 3.33Å; G100-A102 PolarHBondContact O-N 3.32Å; A102-L104 VanDerWaalsContact C-N 3.34Å
103	F	92.4	Very high	89.9	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	8.9	175.2	-55.3	-57.7	0	0	0	113.9	L74 F79 L88 L90 I98 G101 G105 L106 L112 L114 T126 F127 I130	L74-F103 HydrophobicContact CD1-CE1 3.97Å; L74-F103 HydrophobicContact CD1-CZ 4.06Å; F79-F103 AromaticContact CD2-CD1 3.93Å; F79-F103 HydrophobicContact CD2-CD1 3.93Å; F79-F103 HydrophobicContact CD2-CE1 4.41Å; F79-F103 HydrophobicContact CE2-CD1 4.13Å; F79-F103 HydrophobicContact CE2-CE1 4.14Å; L88-F103 HydrophobicContact CD2-CD1 4.18Å; L88-F103 HydrophobicContact CD2-CE1 4.1Å; L90-F103 HydrophobicContact CD1-CE1 3.93Å; L90-F103 HydrophobicContact CD1-CZ 4.47Å; I98-F103 HydrophobicContact CD1-CE2 4.27Å; I98-F103 HydrophobicContact CD1-CZ 4.07Å; I98-F103 HydrophobicContact CG2-CE2 3.98Å; I98-F103 HydrophobicContact CG2-CZ 4.3Å; G101-F103 PolarHBondContact O-N 2.86Å; F103-G105 PolarHBondContact O-N 3.31Å; F103-L106 HydrophobicContact CB-CD1 4.02Å; F103-L106 HydrophobicContact CD1-CD1 3.8Å; F103-L106 HydrophobicContact CG-CD1 4.35Å; F103-L106 WeakPolarHBondContact O-CB 3.18Å; F103-L106 PolarHBondContact O-N 3.5Å; F103-L106 VanDerWaalsContact O-N 3.17Å; F103-L112 HydrophobicContact CE1-CD1 4.24Å; F103-L112 HydrophobicContact CE1-CD2 4.43Å; F103-L112 HydrophobicContact CE2-CD2 4.04Å; F103-L112 HydrophobicContact CZ-CD1 4.33Å; F103-L112 HydrophobicContact CZ-CD2 3.99Å; F103-L114 HydrophobicContact CZ-CD2 4.34Å; F103-T126 VanDerWaalsContact CD2-O 3.23Å; F103-T126 WeakPolarHBondContact CD2-O 3.47Å; F103-F127 HydrophobicContact CD2-CD1 4.48Å; F103-F127 HydrophobicContact CE2-CD1 4.22Å; F103-I130 HydrophobicContact CB-CG2 3.8Å; F103-I130 HydrophobicContact CD2-CD1 4.19Å; F103-I130 HydrophobicContact CG-CD1 4.46Å
104	L	88.9	Confident	90.2	Very high	69 Å²	69	30.7 Å²	30.7	36%	0.361	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	132.4	175.4	-161.4	79.7	0	0	0	109.5	N77 F79 V80 G101 A102	N77-L104 WeakPolarHBondContact OD1-CD2 3.48Å; F79-L104 CarbonylContact C-O 3.29Å; V80-L104 VanDerWaalsContact CA-O 3.23Å; V80-L104 WeakPolarHBondContact CA-O 3.35Å; V80-L104 PolarHBondContact N-O 2.88Å; G101-L104 WeakPolarHBondContact O-CB 3.19Å; G101-L104 PolarHBondContact O-N 3.28Å; A102-L104 VanDerWaalsContact C-N 3.34Å
105	G	83.3	Confident	90.3	Very high	23 Å²	23	27 Å²	27	24%	0.237	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.7	-26.1	-174.4	0	0	0	0	0	114.4	S83 F103 S107	S83-G105 VanDerWaalsContact CA-O 3.31Å; S83-G105 WeakPolarHBondContact CA-O 3.46Å; F103-G105 PolarHBondContact O-N 3.31Å; G105-S107 PolarHBondContact O-N 2.8Å
106	L	89.7	Confident	90.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.166	C	C	.	.			trans	-75.6	48.7	-176.9	-67.2	179.9	0	0	0	114.1	F79 F82 A85 L88 F103 A108 L109 I130	F79-L106 HydrophobicContact CB-CD1 3.69Å; F79-L106 HydrophobicContact CB-CD2 3.68Å; F79-L106 HydrophobicContact CB-CG 3.54Å; F79-L106 HydrophobicContact CD2-CD1 4Å; F79-L106 HydrophobicContact CG-CD1 3.89Å; F79-L106 HydrophobicContact CG-CD2 4.35Å; F79-L106 HydrophobicContact CG-CG 4.28Å; F82-L106 HydrophobicContact CB-CD2 3.8Å; F82-L106 WeakPolarHBondContact O-CD2 3.44Å; A85-L106 HydrophobicContact CB-CD2 3.89Å; L88-L106 HydrophobicContact CD2-CD1 3.56Å; F103-L106 HydrophobicContact CB-CD1 4.02Å; F103-L106 HydrophobicContact CD1-CD1 3.8Å; F103-L106 HydrophobicContact CG-CD1 4.35Å; F103-L106 WeakPolarHBondContact O-CB 3.18Å; F103-L106 PolarHBondContact O-N 3.5Å; F103-L106 VanDerWaalsContact O-N 3.17Å; L106-A108 VanDerWaalsContact C-N 3.3Å; L106-A108 PolarHBondContact O-N 3.11Å; L106-L109 HydrophobicContact CB-CB 4.14Å; L106-L109 HydrophobicContact CB-CD2 4.49Å; L106-L109 HydrophobicContact CD1-CD2 4.17Å; L106-L109 VanDerWaalsContact O-CB 3.26Å; L106-L109 WeakPolarHBondContact O-CB 3.45Å; L106-L109 PolarHBondContact O-N 2.89Å; L106-L109 VanDerWaalsContact O-N 3.13Å; L106-I130 HydrophobicContact CB-CG2 3.6Å; L106-I130 HydrophobicContact CD1-CG2 4.41Å
107	S	86.9	Confident	90.2	Very high	65 Å²	65	25.8 Å²	25.8	46%	0.455	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-25.1	-170.8	59.6	0	0	0	0	114.6	G105 N132	G105-S107 PolarHBondContact O-N 2.8Å; S107-N132 PolarHBondContact O-ND2 3.04Å
108	A	88.9	Confident	90.4	Very high	23 Å²	23	26.9 Å²	26.9	19%	0.19	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-3.9	176.1	0	0	0	0	0	114.8	S83 A85 L106 K110	S83-A108 WeakPolarHBondContact O-CB 3.47Å; S83-A108 PolarHBondContact O-N 3.04Å; A85-A108 CarbonylContact O-C 3.07Å; A85-A108 VanDerWaalsContact O-C 3.29Å; L106-A108 VanDerWaalsContact C-N 3.3Å; L106-A108 PolarHBondContact O-N 3.11Å; A108-K110 PolarHBondContact O-N 2.95Å
109	L	93.6	Very high	90.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.153	C	C	.	.			trans	-69.5	126.8	-168.2	-163.7	78	0	0	0	112.7	A85 L88 L106 L112 I130 N132 L133	A85-L109 HydrophobicContact CB-CD1 4.32Å; A85-L109 VanDerWaalsContact O-CA 3.28Å; A85-L109 WeakPolarHBondContact O-CA 3.24Å; A85-L109 PolarHBondContact O-N 3.14Å; L88-L109 HydrophobicContact CB-CD1 3.72Å; L88-L109 HydrophobicContact CB-CD2 4.36Å; L106-L109 HydrophobicContact CB-CB 4.14Å; L106-L109 HydrophobicContact CB-CD2 4.49Å; L106-L109 HydrophobicContact CD1-CD2 4.17Å; L106-L109 VanDerWaalsContact O-CB 3.26Å; L106-L109 WeakPolarHBondContact O-CB 3.45Å; L106-L109 PolarHBondContact O-N 2.89Å; L106-L109 VanDerWaalsContact O-N 3.13Å; L109-L112 HydrophobicContact CD2-CB 4.19Å; L109-I130 HydrophobicContact CB-CG2 4.11Å; L109-I130 HydrophobicContact CD2-CB 4.38Å; L109-I130 HydrophobicContact CD2-CD1 4.4Å; L109-I130 HydrophobicContact CD2-CG2 3.74Å; L109-N132 CarbonylContact O-C 3.45Å; L109-L133 HydrophobicContact CD2-CD1 4Å; L109-L133 HydrophobicContact CG-CD1 4.18Å; L109-L133 WeakPolarHBondContact O-CA 3.45Å; L109-L133 PolarHBondContact O-N 3.45Å
110	K	92.2	Very high	90.5	Very high	80 Å²	80	28 Å²	28	35%	0.348	16%	0.158	S	C	.	.			trans	-109.2	-32.9	176.2	-74.4	170.7	165.4	-79.1	0	112.9	V86 A108 L133 E134 Y135	V86-K110 HydrophobicContact CG1-CB 4.46Å; V86-K110 HydrophobicContact CG1-CD 4.08Å; V86-K110 PolarHBondContact O-N 2.93Å; A108-K110 PolarHBondContact O-N 2.95Å; K110-L133 WeakPolarHBondContact O-CD1 3.35Å; K110-E134 IonicContact NZ-OE1 2.8Å; K110-E134 PolarHBondContact NZ-OE1 2.9Å; K110-E134 IonicContact NZ-OE2 2.8Å; K110-E134 PolarHBondContact NZ-OE2 3.13Å; K110-E134 PolarHBondContact O-N 3.43Å; K110-Y135 PolarHBondContact O-N 3.06Å
111	Q	92.8	Very high	90.8	Very high	44 Å²	44	30.2 Å²	30.2	21%	0.206	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.9	-174.6	-73	169.4	-21.9	0	0	110.8	V86 S87 L88 Y135	V86-Q111 PolarHBondContact O-N 3.44Å; V86-Q111 VanDerWaalsContact O-N 3.16Å; S87-Q111 WeakPolarHBondContact CA-O 3.32Å; S87-Q111 VanDerWaalsContact OG-CB 3.3Å; S87-Q111 WeakPolarHBondContact OG-CB 3.07Å; L88-Q111 PolarHBondContact N-O 3.06Å; Q111-Y135 HydrophobicContact CB-CD1 4.49Å; Q111-Y135 HydrophobicContact CG-CD1 4.42Å; Q111-Y135 HydrophobicContact CG-CG 4.41Å
112	L	95.3	Very high	91.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	119.2	176.6	178.5	56.8	0	0	0	110.3	L88 L90 F103 L109 L114 F127 I130 L133 Y135 L136 Q137	L88-L112 HydrophobicContact CB-CD1 4.19Å; L88-L112 HydrophobicContact CD2-CD1 4.15Å; L88-L112 HydrophobicContact CG-CD1 4.12Å; L90-L112 HydrophobicContact CD1-CD1 4.34Å; F103-L112 HydrophobicContact CE1-CD1 4.24Å; F103-L112 HydrophobicContact CE1-CD2 4.43Å; F103-L112 HydrophobicContact CE2-CD2 4.04Å; F103-L112 HydrophobicContact CZ-CD1 4.33Å; F103-L112 HydrophobicContact CZ-CD2 3.99Å; L109-L112 HydrophobicContact CD2-CB 4.19Å; L112-L114 HydrophobicContact CD1-CD2 4.25Å; L112-L114 HydrophobicContact CD1-CG 4.26Å; L112-L114 HydrophobicContact CD2-CD1 4.22Å; L112-L114 HydrophobicContact CG-CD1 4.32Å; L112-L114 HydrophobicContact CG-CG 4.13Å; L112-F127 HydrophobicContact CD2-CD1 4.2Å; L112-F127 HydrophobicContact CD2-CE1 4.21Å; L112-I130 HydrophobicContact CD2-CD1 3.62Å; L112-L133 HydrophobicContact CB-CD1 3.68Å; L112-L133 HydrophobicContact CB-CD2 4.25Å; L112-Y135 PolarHBondContact N-O 3.38Å; L112-Y135 VanDerWaalsContact N-O 3.12Å; L112-L136 HydrophobicContact CB-CD1 4.14Å; L112-L136 HydrophobicContact CD2-CD1 4Å; L112-L136 HydrophobicContact CG-CD1 4.05Å; L112-Q137 PolarHBondContact O-N 3.06Å
113	H	92.3	Very high	91.3	Very high	22 Å²	22	33.3 Å²	33.3	10%	0.102	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	111.8	179.2	-52.1	-106	0	0	0	110.2	L88 H89 L90 G91 Y135 Q137	L88-H113 PolarHBondContact O-N 2.99Å; H89-H113 AromaticContact CD2-CD2 3.63Å; H89-H113 AromaticContact CE1-CD2 3.94Å; H89-H113 AromaticContact CE1-NE2 3.9Å; H89-H113 AromaticContact CG-CD2 3.85Å; H89-H113 AromaticContact NE2-CD2 3.7Å; H89-H113 AromaticContact NE2-NE2 3.72Å; L90-H113 CarbonylContact C-O 3.17Å; L90-H113 WeakPolarHBondContact CA-O 3.49Å; L90-H113 PolarHBondContact N-O 3.34Å; G91-H113 PolarHBondContact N-O 2.93Å; H113-Y135 AromaticContact CE1-CE1 3.29Å; H113-Y135 WeakPolarHBondContact CE1-CE1 3.31Å; H113-Y135 AromaticContact CE1-CZ 3.87Å; H113-Y135 AromaticContact ND1-CE1 3.59Å; H113-Y135 AromaticContact NE2-CE1 3.88Å; H113-Q137 PolarHBondContact ND1-OE1 3.07Å
114	L	94.1	Very high	91.2	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.			trans	-112	12.8	177.7	-63.4	169.9	0	0	0	112.1	L90 L95 I98 F103 L112 N117 L119 F127 L136 Q137 A138 N141	L90-L114 HydrophobicContact CB-CD2 4Å; L90-L114 HydrophobicContact CD1-CD2 4.05Å; L95-L114 HydrophobicContact CD1-CD2 4.45Å; I98-L114 HydrophobicContact CD1-CD1 4.09Å; I98-L114 HydrophobicContact CD1-CD2 4.1Å; F103-L114 HydrophobicContact CZ-CD2 4.34Å; L112-L114 HydrophobicContact CD1-CD2 4.25Å; L112-L114 HydrophobicContact CD1-CG 4.26Å; L112-L114 HydrophobicContact CD2-CD1 4.22Å; L112-L114 HydrophobicContact CG-CD1 4.32Å; L112-L114 HydrophobicContact CG-CG 4.13Å; L114-N117 PolarHBondContact O-ND2 3.27Å; L114-L119 HydrophobicContact CB-CD1 4.3Å; L114-L119 HydrophobicContact CD1-CD1 4.31Å; L114-F127 HydrophobicContact CD1-CE1 4.07Å; L114-L136 HydrophobicContact CD1-CD1 4.38Å; L114-Q137 PolarHBondContact N-O 3.15Å; L114-A138 HydrophobicContact CB-CB 4.24Å; L114-N141 PolarHBondContact O-ND2 3.2Å
115	N	90.7	Very high	91.3	Very high	23 Å²	23	35.7 Å²	35.7	12%	0.123	20%	0.195	C	C	.	.			trans	-56.9	146.2	-173.4	65.9	-70.2	0	0	0	114.4	G91 N92 N117 Q137 D139	G91-N115 CarbonylContact C-O 3.45Å; G91-N115 WeakPolarHBondContact CA-O 3.28Å; G91-N115 WeakPolarHBondContact CA-OD1 3.44Å; N92-N115 PolarHBondContact N-O 3.44Å; N115-N117 PolarHBondContact O-ND2 2.93Å; N115-Q137 HydrophobicContact CB-CG 4.19Å; N115-D139 WeakPolarHBondContact CA-O 3.41Å; N115-D139 WeakPolarHBondContact CB-OD1 3.36Å; N115-D139 WeakPolarHBondContact CB-OD2 3.26Å
116	N	87.5	Confident	91.7	Very high	50 Å²	50	34.7 Å²	34.7	27%	0.267	18%	0.184	S	C	.	.	S	Bend	trans	53	66.7	177.8	-168	47.3	0	0	0	112.4	N92 D139 Y140	N92-N116 VanDerWaalsContact CA-O 3.23Å; N92-N116 WeakPolarHBondContact CA-O 3.02Å; N92-N116 PolarHBondContact N-O 2.97Å; N92-N116 WeakPolarHBondContact OD1-CB 3.01Å; N92-N116 PolarHBondContact OD1-ND2 2.97Å; N116-D139 PolarHBondContact N-O 3.37Å; N116-Y140 CarbonylContact C-O 3.16Å; N116-Y140 WeakPolarHBondContact CA-O 3.47Å; N116-Y140 PolarHBondContact N-O 2.89Å
117	N	91.1	Very high	91.8	Very high	10 Å²	10	35 Å²	35	5%	0.053	19%	0.185	C	C	.	.	S	Bend	trans	-138.4	-177.1	180	-91.2	-76	0	0	0	110	L90 N93 K94 L95 L114 N115 L119 Y140 N141	L90-N117 PolarHBondContact O-ND2 3.23Å; N93-N117 VanDerWaalsContact CA-OD1 3.32Å; N93-N117 WeakPolarHBondContact CA-OD1 3.45Å; N93-N117 WeakPolarHBondContact CB-OD1 3.39Å; N93-N117 PolarHBondContact N-OD1 2.94Å; N93-N117 PolarHBondContact O-OD1 2.8Å; K94-N117 PolarHBondContact N-OD1 3.15Å; L95-N117 HydrophobicContact CB-CB 4.31Å; L95-N117 VanDerWaalsContact CB-OD1 3.28Å; L95-N117 WeakPolarHBondContact CB-OD1 3.4Å; L95-N117 WeakPolarHBondContact CG-OD1 3.48Å; L95-N117 PolarHBondContact N-OD1 2.94Å; L114-N117 PolarHBondContact O-ND2 3.27Å; N115-N117 PolarHBondContact O-ND2 2.93Å; N117-L119 HydrophobicContact CB-CG 4.43Å; N117-Y140 PolarHBondContact N-O 3.21Å; N117-Y140 VanDerWaalsContact N-O 3.11Å; N117-N141 WeakPolarHBondContact CB-OD1 3.27Å; N117-N141 WeakPolarHBondContact O-CA 3.28Å; N117-N141 PolarHBondContact O-OD1 3.48Å
118	E	93.2	Very high	92	Very high	62 Å²	62	35.5 Å²	35.5	29%	0.29	18%	0.182	S	C	.	.			trans	-106.6	20.7	-175.4	-69.1	-174.6	-145.9	0	0	113.5	L95 Q96 K120	L95-E118 CarbonylContact O-C 3.51Å; L95-E118 WeakPolarHBondContact O-CA 3.37Å; L95-E118 PolarHBondContact O-N 3.28Å; Q96-E118 VanDerWaalsContact CD-OE2 3.29Å; Q96-E118 HydrophobicContact CG-CB 3.8Å; Q96-E118 PolarHBondContact NE2-OE2 3.48Å; E118-K120 PolarHBondContact O-N 2.83Å
119	L	93.8	Very high	91.8	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.016	18%	0.183	C	C	.	.			trans	-65.9	130	-172.7	-61	172.4	0	0	0	111.2	L95 I98 L114 N117 N141 L142 I143	L95-L119 HydrophobicContact CB-CD2 3.99Å; L95-L119 HydrophobicContact CB-CG 4.48Å; L95-L119 WeakPolarHBondContact O-CD2 3.29Å; L95-L119 WeakPolarHBondContact O-CG 3.22Å; L95-L119 PolarHBondContact O-N 2.84Å; I98-L119 HydrophobicContact CD1-CD1 4Å; I98-L119 HydrophobicContact CD1-CD2 3.97Å; I98-L119 HydrophobicContact CG1-CD2 3.83Å; L114-L119 HydrophobicContact CB-CD1 4.3Å; L114-L119 HydrophobicContact CD1-CD1 4.31Å; N117-L119 HydrophobicContact CB-CG 4.43Å; L119-N141 HydrophobicContact CB-CB 4.38Å; L119-N141 WeakPolarHBondContact CB-OD1 3.44Å; L119-N141 VanDerWaalsContact CG-OD1 3.25Å; L119-N141 WeakPolarHBondContact CG-OD1 3.5Å; L119-N141 PolarHBondContact N-OD1 2.85Å; L119-N141 VanDerWaalsContact N-OD1 3.09Å; L119-L142 CarbonylContact O-C 3.55Å; L119-L142 VanDerWaalsContact O-CA 3.23Å; L119-L142 WeakPolarHBondContact O-CA 3.38Å; L119-L142 PolarHBondContact O-N 2.79Å; L119-I143 HydrophobicContact CB-CG1 4.27Å; L119-I143 WeakPolarHBondContact O-CG1 3.44Å; L119-I143 PolarHBondContact O-N 2.83Å
120	K	91.6	Very high	91.8	Very high	88 Å²	88	35.3 Å²	35.3	38%	0.383	18%	0.183	S	C	.	.			trans	-104.2	-25.7	-173.8	-70	152.4	-168.2	167.1	0	114.4	E118 L142 K144	E118-K120 PolarHBondContact O-N 2.83Å; K120-L142 HydrophobicContact CG-CB 4.17Å; K120-K144 PolarHBondContact O-N 2.91Å
121	I	92	Very high	91.7	Very high	67 Å²	67	35.4 Å²	35.4	34%	0.344	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	138	-175.1	-56.1	178.5	0	0	0	108.3	R123 Y145 E147	I121-R123 HydrophobicContact CG2-CG 4.12Å; I121-Y145 WeakPolarHBondContact CA-O 3.25Å; I121-Y145 HydrophobicContact CG1-CD2 4.46Å; I121-E147 HydrophobicContact CG2-CG 4.5Å
122	L	93.6	Very high	91.7	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	117.9	163.4	-62.5	-177.5	0	0	0	109	F127 I143 Y145 I146 E147 F151 L162	L122-F127 HydrophobicContact CD1-CE2 4.23Å; L122-F127 HydrophobicContact CD1-CZ 4.22Å; L122-F127 HydrophobicContact CD2-CE2 4.33Å; L122-F127 HydrophobicContact CD2-CZ 3.96Å; L122-I143 HydrophobicContact CD1-CD1 3.95Å; L122-I143 HydrophobicContact CD2-CD1 4.05Å; L122-I143 HydrophobicContact CG-CD1 3.87Å; L122-I143 HydrophobicContact CG-CG1 4.34Å; L122-I143 HydrophobicContact CG-CG2 4.18Å; L122-Y145 PolarHBondContact N-O 3.03Å; L122-Y145 VanDerWaalsContact N-O 3.1Å; L122-I146 HydrophobicContact CB-CG1 4.38Å; L122-I146 HydrophobicContact CB-CG2 4.42Å; L122-I146 HydrophobicContact CD1-CD1 4.44Å; L122-I146 HydrophobicContact CD1-CG1 4.35Å; L122-E147 PolarHBondContact O-N 3.43Å; L122-F151 HydrophobicContact CD1-CE1 4.23Å; L122-F151 HydrophobicContact CD1-CZ 4.17Å; L122-L162 HydrophobicContact CD1-CD2 4.42Å
123	R	92.9	Very high	91.6	Very high	68 Å²	68	36.1 Å²	36.1	26%	0.257	19%	0.19	S	C	.	.			trans	-92.6	163.3	-176.8	-61.5	-166.3	-164.7	78.5	4.8	113.1	N97 I98 I121 D125 T126 E147	N97-R123 VanDerWaalsContact OD1-CZ 3.32Å; N97-R123 PolarHBondContact OD1-NH1 3.33Å; N97-R123 PolarHBondContact OD1-NH2 2.84Å; I98-R123 PolarHBondContact O-NH1 3.46Å; I121-R123 HydrophobicContact CG2-CG 4.12Å; R123-D125 WeakPolarHBondContact CB-OD1 3.33Å; R123-D125 PolarHBondContact O-N 2.91Å; R123-D125 VanDerWaalsContact O-N 3.17Å; R123-T126 WeakPolarHBondContact CB-OG1 3.48Å; R123-T126 PolarHBondContact N-OG1 2.88Å; R123-T126 WeakPolarHBondContact O-CB 3.14Å; R123-T126 PolarHBondContact O-N 2.89Å; R123-T126 PolarHBondContact O-OG1 3.01Å; R123-E147 WeakPolarHBondContact CA-OE2 3.47Å; R123-E147 VanDerWaalsContact CB-OE2 3.24Å; R123-E147 WeakPolarHBondContact CB-OE2 3.14Å
124	A	90.4	Very high	91.7	Very high	56 Å²	56	36.1 Å²	36.1	46%	0.463	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-25.3	176.1	0	0	0	0	0	113.9	E147	A124-E147 PolarHBondContact N-OE2 3.29Å
125	D	91.1	Very high	91.6	Very high	64 Å²	64	36.5 Å²	36.5	34%	0.342	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-5.7	-177.6	64.8	-7.6	0	0	0	114.4	G100 G101 R123 F127 L128	G100-D125 VanDerWaalsContact CA-CG 3.41Å; G100-D125 VanDerWaalsContact CA-OD2 3.22Å; G100-D125 WeakPolarHBondContact CA-OD2 3.34Å; G101-D125 PolarHBondContact N-O 3.03Å; R123-D125 WeakPolarHBondContact CB-OD1 3.33Å; R123-D125 PolarHBondContact O-N 2.91Å; R123-D125 VanDerWaalsContact O-N 3.17Å; D125-F127 VanDerWaalsContact C-N 3.31Å; D125-F127 PolarHBondContact O-N 2.96Å; D125-L128 VanDerWaalsContact O-CB 3.24Å; D125-L128 WeakPolarHBondContact O-CB 3.08Å; D125-L128 PolarHBondContact O-N 2.87Å
126	T	91.6	Very high	91.8	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.012	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-38.9	-171.9	-66.5	0	0	0	0	112.3	I98 F103 R123	I98-T126 HydrophobicContact CB-CG2 4.08Å; I98-T126 HydrophobicContact CD1-CG2 4.31Å; I98-T126 HydrophobicContact CG2-CG2 4Å; F103-T126 VanDerWaalsContact CD2-O 3.23Å; F103-T126 WeakPolarHBondContact CD2-O 3.47Å; R123-T126 WeakPolarHBondContact CB-OG1 3.48Å; R123-T126 PolarHBondContact N-OG1 2.88Å; R123-T126 WeakPolarHBondContact O-CB 3.14Å; R123-T126 PolarHBondContact O-N 2.89Å; R123-T126 PolarHBondContact O-OG1 3.01Å
127	F	92.8	Very high	92.1	Very high	5 Å²	5	33.7 Å²	33.7	2%	0.022	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	23.3	-178.3	-52.3	-69.8	0	0	0	113.1	F103 L112 L114 L122 D125 G129 I130 L136 F151 L154	F103-F127 HydrophobicContact CD2-CD1 4.48Å; F103-F127 HydrophobicContact CE2-CD1 4.22Å; L112-F127 HydrophobicContact CD2-CD1 4.2Å; L112-F127 HydrophobicContact CD2-CE1 4.21Å; L114-F127 HydrophobicContact CD1-CE1 4.07Å; L122-F127 HydrophobicContact CD1-CE2 4.23Å; L122-F127 HydrophobicContact CD1-CZ 4.22Å; L122-F127 HydrophobicContact CD2-CE2 4.33Å; L122-F127 HydrophobicContact CD2-CZ 3.96Å; D125-F127 VanDerWaalsContact C-N 3.31Å; D125-F127 PolarHBondContact O-N 2.96Å; F127-G129 PolarHBondContact O-N 3.24Å; F127-I130 HydrophobicContact CB-CD1 4.07Å; F127-I130 HydrophobicContact CB-CG1 4.08Å; F127-I130 HydrophobicContact CD1-CD1 3.97Å; F127-I130 HydrophobicContact CG-CD1 4.49Å; F127-I130 VanDerWaalsContact O-CG1 3.28Å; F127-I130 WeakPolarHBondContact O-CG1 2.99Å; F127-L136 HydrophobicContact CE1-CD1 3.98Å; F127-L136 HydrophobicContact CE1-CD2 3.97Å; F127-L136 HydrophobicContact CE2-CD2 4.19Å; F127-L136 HydrophobicContact CZ-CD1 4.38Å; F127-L136 HydrophobicContact CZ-CD2 3.75Å; F127-F151 HydrophobicContact CD2-CD1 4.22Å; F127-F151 HydrophobicContact CD2-CE1 4.34Å; F127-F151 HydrophobicContact CE2-CD1 4.08Å; F127-F151 AromaticContact CE2-CE1 3.74Å; F127-F151 HydrophobicContact CE2-CE1 3.74Å; F127-F151 HydrophobicContact CZ-CE1 4.47Å; F127-L154 HydrophobicContact CB-CD1 4.2Å; F127-L154 HydrophobicContact CB-CD2 4.01Å; F127-L154 HydrophobicContact CB-CG 4.45Å; F127-L154 HydrophobicContact CD2-CD1 4.3Å; F127-L154 HydrophobicContact CG-CD1 4.24Å
128	L	90.3	Very high	92.2	Very high	77 Å²	77	33.2 Å²	33.2	40%	0.403	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	121.6	176	-176	65.2	0	0	0	110.8	D125	D125-L128 VanDerWaalsContact O-CB 3.24Å; D125-L128 WeakPolarHBondContact O-CB 3.08Å; D125-L128 PolarHBondContact O-N 2.87Å
129	G	86.3	Confident	91.9	Very high	19 Å²	19	30.4 Å²	30.4	20%	0.196	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.2	-15.3	178.4	0	0	0	0	0	115.4	F127	F127-G129 PolarHBondContact O-N 3.24Å
130	I	92.6	Very high	91.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.			trans	-112.3	47.9	-175.2	56.7	172.5	0	0	0	113	F103 L106 L109 L112 F127 N132 L133 L154	F103-I130 HydrophobicContact CB-CG2 3.8Å; F103-I130 HydrophobicContact CD2-CD1 4.19Å; F103-I130 HydrophobicContact CG-CD1 4.46Å; L106-I130 HydrophobicContact CB-CG2 3.6Å; L106-I130 HydrophobicContact CD1-CG2 4.41Å; L109-I130 HydrophobicContact CB-CG2 4.11Å; L109-I130 HydrophobicContact CD2-CB 4.38Å; L109-I130 HydrophobicContact CD2-CD1 4.4Å; L109-I130 HydrophobicContact CD2-CG2 3.74Å; L112-I130 HydrophobicContact CD2-CD1 3.62Å; F127-I130 HydrophobicContact CB-CD1 4.07Å; F127-I130 HydrophobicContact CB-CG1 4.08Å; F127-I130 HydrophobicContact CD1-CD1 3.97Å; F127-I130 HydrophobicContact CG-CD1 4.49Å; F127-I130 VanDerWaalsContact O-CG1 3.28Å; F127-I130 WeakPolarHBondContact O-CG1 2.99Å; I130-N132 PolarHBondContact O-N 3.42Å; I130-L133 HydrophobicContact CD1-CD1 4.41Å; I130-L133 HydrophobicContact CD1-CD2 4.03Å; I130-L133 WeakPolarHBondContact O-CB 3.33Å; I130-L133 PolarHBondContact O-N 2.81Å; I130-L133 VanDerWaalsContact O-N 3.09Å; I130-L154 HydrophobicContact CG1-CD2 4.15Å; I130-L154 WeakPolarHBondContact O-CD2 3.45Å
131	E	90.3	Very high	91.6	Very high	81 Å²	81	27.4 Å²	27.4	38%	0.379	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-14	-176.5	-55.4	-168.9	154.6	0	0	113.8	K153	E131-K153 WeakPolarHBondContact CA-O 3.13Å; E131-K153 HydrophobicContact CG-CB 4.41Å; E131-K153 IonicContact OE1-NZ 3.14Å; E131-K153 PolarHBondContact OE1-NZ 3.43Å
132	N	91.8	Very high	91.5	Very high	60 Å²	60	27.7 Å²	27.7	32%	0.321	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	2	176	-78.3	-52.7	0	0	0	114.8	S107 L109 I130 E134 K156	S107-N132 PolarHBondContact O-ND2 3.04Å; L109-N132 CarbonylContact O-C 3.45Å; I130-N132 PolarHBondContact O-N 3.42Å; N132-E134 PolarHBondContact O-N 2.77Å; N132-K156 WeakPolarHBondContact OD1-CE 3.27Å; N132-K156 PolarHBondContact OD1-NZ 2.81Å
133	L	94.6	Very high	91.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.			trans	-62.1	129.2	-176	-162.1	75.6	0	0	0	111.9	L109 K110 L112 I130 L136 L154 K156 L157	L109-L133 HydrophobicContact CD2-CD1 4Å; L109-L133 HydrophobicContact CG-CD1 4.18Å; L109-L133 WeakPolarHBondContact O-CA 3.45Å; L109-L133 PolarHBondContact O-N 3.45Å; K110-L133 WeakPolarHBondContact O-CD1 3.35Å; L112-L133 HydrophobicContact CB-CD1 3.68Å; L112-L133 HydrophobicContact CB-CD2 4.25Å; I130-L133 HydrophobicContact CD1-CD1 4.41Å; I130-L133 HydrophobicContact CD1-CD2 4.03Å; I130-L133 WeakPolarHBondContact O-CB 3.33Å; I130-L133 PolarHBondContact O-N 2.81Å; I130-L133 VanDerWaalsContact O-N 3.09Å; L133-L136 HydrophobicContact CD2-CB 3.83Å; L133-L136 HydrophobicContact CD2-CD1 4.18Å; L133-L136 HydrophobicContact CD2-CD2 4.47Å; L133-L136 HydrophobicContact CD2-CG 4.38Å; L133-L154 HydrophobicContact CB-CD2 4.22Å; L133-L154 HydrophobicContact CD2-CD1 4.3Å; L133-K156 CarbonylContact O-C 3.39Å; L133-L157 HydrophobicContact CD2-CD1 4.32Å; L133-L157 WeakPolarHBondContact O-CA 3.35Å; L133-L157 PolarHBondContact O-N 2.8Å
134	E	92.9	Very high	91.5	Very high	22 Å²	22	29.3 Å²	29.3	10%	0.103	16%	0.157	C	C	.	.			trans	-110	-26.1	-178.4	-73.9	166.5	-171.6	0	0	111.9	K110 N132 K156 K158 V159 Y824	K110-E134 IonicContact NZ-OE1 2.8Å; K110-E134 PolarHBondContact NZ-OE1 2.9Å; K110-E134 IonicContact NZ-OE2 2.8Å; K110-E134 PolarHBondContact NZ-OE2 3.13Å; K110-E134 PolarHBondContact O-N 3.43Å; N132-E134 PolarHBondContact O-N 2.77Å; E134-K156 HydrophobicContact CG-CB 3.97Å; E134-K158 PolarHBondContact O-N 3.39Å; E134-V159 PolarHBondContact O-N 3.37Å; E134-Y824 HydrophobicContact CB-CE2 3.82Å; E134-Y824 WeakPolarHBondContact CB-OH 3.4Å; E134-Y824 VanDerWaalsContact OE2-CZ 3.3Å; E134-Y824 PolarHBondContact OE2-OH 2.8Å
135	Y	92.9	Very high	91.5	Very high	8 Å²	8	32.5 Å²	32.5	3%	0.031	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	125.9	-179	175.5	-78.9	0	0	0	110.7	K110 Q111 L112 H113 Q137 V159 I161 S821 P822	K110-Y135 PolarHBondContact O-N 3.06Å; Q111-Y135 HydrophobicContact CB-CD1 4.49Å; Q111-Y135 HydrophobicContact CG-CD1 4.42Å; Q111-Y135 HydrophobicContact CG-CG 4.41Å; L112-Y135 PolarHBondContact N-O 3.38Å; L112-Y135 VanDerWaalsContact N-O 3.12Å; H113-Y135 AromaticContact CE1-CE1 3.29Å; H113-Y135 WeakPolarHBondContact CE1-CE1 3.31Å; H113-Y135 AromaticContact CE1-CZ 3.87Å; H113-Y135 AromaticContact ND1-CE1 3.59Å; H113-Y135 AromaticContact NE2-CE1 3.88Å; Y135-Q137 HydrophobicContact CD1-CB 4.44Å; Y135-Q137 HydrophobicContact CE1-CB 3.51Å; Y135-Q137 PolarHBondContact OH-OE1 3.18Å; Y135-V159 HydrophobicContact CD2-CB 3.63Å; Y135-V159 HydrophobicContact CD2-CG1 3.66Å; Y135-V159 HydrophobicContact CD2-CG2 4.07Å; Y135-V159 HydrophobicContact CE2-CB 4.28Å; Y135-V159 HydrophobicContact CE2-CG1 3.78Å; Y135-V159 HydrophobicContact CG-CB 4.32Å; Y135-I161 HydrophobicContact CE1-CD1 4.42Å; Y135-I161 HydrophobicContact CE2-CD1 3.67Å; Y135-I161 WeakPolarHBondContact OH-CD1 3.1Å; Y135-S821 WeakPolarHBondContact OH-CB 3.12Å; Y135-S821 PolarHBondContact OH-OG 3.21Å; Y135-P822 WeakPolarHBondContact CE2-O 3.48Å
136	L	95.6	Very high	91.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	122.8	174.3	179.8	56.2	0	0	0	110.8	L112 L114 F127 L133 F151 L154 L157 V159 L160 I161	L112-L136 HydrophobicContact CB-CD1 4.14Å; L112-L136 HydrophobicContact CD2-CD1 4Å; L112-L136 HydrophobicContact CG-CD1 4.05Å; L114-L136 HydrophobicContact CD1-CD1 4.38Å; F127-L136 HydrophobicContact CE1-CD1 3.98Å; F127-L136 HydrophobicContact CE1-CD2 3.97Å; F127-L136 HydrophobicContact CE2-CD2 4.19Å; F127-L136 HydrophobicContact CZ-CD1 4.38Å; F127-L136 HydrophobicContact CZ-CD2 3.75Å; L133-L136 HydrophobicContact CD2-CB 3.83Å; L133-L136 HydrophobicContact CD2-CD1 4.18Å; L133-L136 HydrophobicContact CD2-CD2 4.47Å; L133-L136 HydrophobicContact CD2-CG 4.38Å; L136-F151 HydrophobicContact CD2-CD1 4.4Å; L136-F151 HydrophobicContact CD2-CE1 3.97Å; L136-L154 HydrophobicContact CD2-CD1 4.31Å; L136-L157 HydrophobicContact CB-CD1 3.73Å; L136-V159 PolarHBondContact N-O 2.75Å; L136-L160 HydrophobicContact CB-CD1 4.1Å; L136-L160 HydrophobicContact CD2-CD1 3.9Å; L136-L160 HydrophobicContact CG-CD1 4.04Å; L136-L160 WeakPolarHBondContact O-CA 3.37Å; L136-I161 PolarHBondContact O-N 3.07Å
137	Q	92.5	Very high	91.7	Very high	13 Å²	13	33.5 Å²	33.5	6%	0.061	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.7	177.4	176.2	179.3	4.9	0	0	110.6	L112 H113 L114 N115 Y135 D139 I161 S821	L112-Q137 PolarHBondContact O-N 3.06Å; H113-Q137 PolarHBondContact ND1-OE1 3.07Å; L114-Q137 PolarHBondContact N-O 3.15Å; N115-Q137 HydrophobicContact CB-CG 4.19Å; Y135-Q137 HydrophobicContact CD1-CB 4.44Å; Y135-Q137 HydrophobicContact CE1-CB 3.51Å; Y135-Q137 PolarHBondContact OH-OE1 3.18Å; Q137-D139 VanDerWaalsContact CD-OD1 3.28Å; Q137-D139 WeakPolarHBondContact CG-OD1 3.46Å; Q137-D139 PolarHBondContact NE2-OD1 3.14Å; Q137-I161 HydrophobicContact CB-CB 4.4Å; Q137-I161 HydrophobicContact CB-CD1 4.08Å; Q137-I161 HydrophobicContact CG-CB 4.29Å; Q137-I161 HydrophobicContact CG-CD1 4.27Å; Q137-I161 HydrophobicContact CG-CG2 4.29Å; Q137-S821 PolarHBondContact NE2-OG 3.08Å; Q137-S821 PolarHBondContact OE1-OG 2.84Å
138	A	93.7	Very high	91.6	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.193	C	C	.	.			trans	-143	36.4	178.8	0	0	0	0	0	112.1	L114 N141 I143 I161 L162 N165	L114-A138 HydrophobicContact CB-CB 4.24Å; A138-N141 PolarHBondContact O-ND2 2.78Å; A138-I143 HydrophobicContact CB-CD1 4.33Å; A138-I161 PolarHBondContact N-O 3.42Å; A138-L162 HydrophobicContact CB-CD2 4.16Å; A138-N165 PolarHBondContact O-ND2 3.05Å
139	D	87.6	Confident	91.5	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	18%	0.179	C	C	.	.			trans	-59.6	162.3	168.9	58.9	-75.8	0	0	0	112.6	N115 N116 Q137 N141 I161 N163	N115-D139 WeakPolarHBondContact CA-O 3.41Å; N115-D139 WeakPolarHBondContact CB-OD1 3.36Å; N115-D139 WeakPolarHBondContact CB-OD2 3.26Å; N116-D139 PolarHBondContact N-O 3.37Å; Q137-D139 VanDerWaalsContact CD-OD1 3.28Å; Q137-D139 WeakPolarHBondContact CG-OD1 3.46Å; Q137-D139 PolarHBondContact NE2-OD1 3.14Å; D139-N141 VanDerWaalsContact C-N 3.29Å; D139-N141 PolarHBondContact O-N 3.04Å; D139-N141 PolarHBondContact O-ND2 3.08Å; D139-I161 HydrophobicContact CB-CG2 4.21Å; D139-N163 WeakPolarHBondContact CA-O 3.48Å; D139-N163 WeakPolarHBondContact CB-OD1 3.15Å
140	Y	86.8	Confident	91.7	Very high	23 Å²	23	38.1 Å²	38.1	9%	0.09	17%	0.171	C	C	.	.	S	Bend	trans	52.9	48.2	173.7	-53.6	-36.7	0	0	0	112.7	N116 N117 N163 D164 A816 L818 Q819	N116-Y140 CarbonylContact C-O 3.16Å; N116-Y140 WeakPolarHBondContact CA-O 3.47Å; N116-Y140 PolarHBondContact N-O 2.89Å; N117-Y140 PolarHBondContact N-O 3.21Å; N117-Y140 VanDerWaalsContact N-O 3.11Å; Y140-N163 WeakPolarHBondContact CE1-ND2 3.27Å; Y140-N163 PolarHBondContact N-O 2.94Å; Y140-D164 HydrophobicContact CD1-CB 3.53Å; Y140-D164 HydrophobicContact CE1-CB 3.39Å; Y140-D164 VanDerWaalsContact CE1-OD2 3.3Å; Y140-D164 WeakPolarHBondContact CE1-OD2 3.45Å; Y140-A816 HydrophobicContact CD1-CB 3.78Å; Y140-A816 WeakPolarHBondContact CD1-O 3.27Å; Y140-A816 HydrophobicContact CE1-CB 3.96Å; Y140-A816 VanDerWaalsContact CE1-O 3.28Å; Y140-A816 WeakPolarHBondContact CE1-O 3.4Å; Y140-L818 PolarHBondContact OH-N 3.34Å; Y140-Q819 WeakPolarHBondContact OH-CB 3.48Å; Y140-Q819 PolarHBondContact OH-N 3.08Å
141	N	90.7	Very high	91.7	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.027	17%	0.171	C	C	.	.	S	Bend	trans	-122.4	179.6	174	-86.6	-94.5	0	0	0	109.8	L114 N117 L119 A138 D139 I143 N165	L114-N141 PolarHBondContact O-ND2 3.2Å; N117-N141 WeakPolarHBondContact CB-OD1 3.27Å; N117-N141 WeakPolarHBondContact O-CA 3.28Å; N117-N141 PolarHBondContact O-OD1 3.48Å; L119-N141 HydrophobicContact CB-CB 4.38Å; L119-N141 WeakPolarHBondContact CB-OD1 3.44Å; L119-N141 VanDerWaalsContact CG-OD1 3.25Å; L119-N141 WeakPolarHBondContact CG-OD1 3.5Å; L119-N141 PolarHBondContact N-OD1 2.85Å; L119-N141 VanDerWaalsContact N-OD1 3.09Å; A138-N141 PolarHBondContact O-ND2 2.78Å; D139-N141 VanDerWaalsContact C-N 3.29Å; D139-N141 PolarHBondContact O-N 3.04Å; D139-N141 PolarHBondContact O-ND2 3.08Å; N141-I143 HydrophobicContact CB-CD1 4.06Å; N141-I143 HydrophobicContact CB-CG1 4.02Å; N141-N165 WeakPolarHBondContact CA-OD1 3.34Å; N141-N165 WeakPolarHBondContact CB-OD1 3.31Å; N141-N165 PolarHBondContact O-OD1 2.83Å
142	L	91.8	Very high	91.6	Very high	72 Å²	72	37.1 Å²	37.1	38%	0.377	17%	0.168	S	C	.	.			trans	-105.2	25.5	-177.8	-59.1	177.2	0	0	0	111.8	L119 K120 K144 L166	L119-L142 CarbonylContact O-C 3.55Å; L119-L142 VanDerWaalsContact O-CA 3.23Å; L119-L142 WeakPolarHBondContact O-CA 3.38Å; L119-L142 PolarHBondContact O-N 2.79Å; K120-L142 HydrophobicContact CG-CB 4.17Å; L142-K144 PolarHBondContact O-N 2.97Å; L142-K144 VanDerWaalsContact O-N 3.12Å; L142-L166 HydrophobicContact CD2-CD1 4.36Å
143	I	94.4	Very high	91.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.172	C	C	.	.			trans	-67.2	113.8	-169.2	-60	162.6	0	0	0	109	L119 L122 A138 N141 I146 N165 L166 I167	L119-I143 HydrophobicContact CB-CG1 4.27Å; L119-I143 WeakPolarHBondContact O-CG1 3.44Å; L119-I143 PolarHBondContact O-N 2.83Å; L122-I143 HydrophobicContact CD1-CD1 3.95Å; L122-I143 HydrophobicContact CD2-CD1 4.05Å; L122-I143 HydrophobicContact CG-CD1 3.87Å; L122-I143 HydrophobicContact CG-CG1 4.34Å; L122-I143 HydrophobicContact CG-CG2 4.18Å; A138-I143 HydrophobicContact CB-CD1 4.33Å; N141-I143 HydrophobicContact CB-CD1 4.06Å; N141-I143 HydrophobicContact CB-CG1 4.02Å; I143-I146 HydrophobicContact CG2-CG1 4.08Å; I143-N165 HydrophobicContact CB-CB 4.35Å; I143-N165 WeakPolarHBondContact CB-OD1 3.19Å; I143-N165 WeakPolarHBondContact CD1-OD1 3.36Å; I143-N165 VanDerWaalsContact CG1-OD1 3.26Å; I143-N165 WeakPolarHBondContact CG1-OD1 3.4Å; I143-N165 PolarHBondContact N-OD1 3.31Å; I143-L166 CarbonylContact O-C 3.59Å; I143-L166 VanDerWaalsContact O-CA 3.28Å; I143-L166 WeakPolarHBondContact O-CA 3.17Å; I143-L166 PolarHBondContact O-N 3.04Å; I143-I167 HydrophobicContact CB-CG1 4.44Å; I143-I167 HydrophobicContact CG2-CG1 4.12Å; I143-I167 WeakPolarHBondContact O-CG1 3.22Å; I143-I167 PolarHBondContact O-N 3.46Å
144	K	91.3	Very high	91.3	Very high	104 Å²	104	38.7 Å²	38.7	45%	0.452	17%	0.172	S	C	.	.			trans	-97.9	-31.5	176.7	-71	175.8	-178.4	-176.6	0	112.8	K120 L142 L166	K120-K144 PolarHBondContact O-N 2.91Å; L142-K144 PolarHBondContact O-N 2.97Å; L142-K144 VanDerWaalsContact O-N 3.12Å; K144-L166 HydrophobicContact CG-CB 3.66Å; K144-L166 HydrophobicContact CG-CD1 4.16Å
145	Y	91.3	Very high	91.1	Very high	124 Å²	124	42.2 Å²	42.2	49%	0.486	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	135.5	-172	-53.2	-69	0	0	0	110.2	I121 L122 F169	I121-Y145 WeakPolarHBondContact CA-O 3.25Å; I121-Y145 HydrophobicContact CG1-CD2 4.46Å; L122-Y145 PolarHBondContact N-O 3.03Å; L122-Y145 VanDerWaalsContact N-O 3.1Å; Y145-F169 HydrophobicContact CD1-CE1 4.37Å
146	I	93.9	Very high	91	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.041	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.2	167.6	-59.1	179	0	0	0	105.9	L122 I143 A150 F151 L162 I167 L170 P171 I174	L122-I146 HydrophobicContact CB-CG1 4.38Å; L122-I146 HydrophobicContact CB-CG2 4.42Å; L122-I146 HydrophobicContact CD1-CD1 4.44Å; L122-I146 HydrophobicContact CD1-CG1 4.35Å; I143-I146 HydrophobicContact CG2-CG1 4.08Å; I146-A150 HydrophobicContact CG2-CB 3.72Å; I146-F151 HydrophobicContact CD1-CE2 4.47Å; I146-F151 HydrophobicContact CD1-CZ 4.3Å; I146-F151 HydrophobicContact CG2-CE2 4.46Å; I146-F151 HydrophobicContact CG2-CZ 4.43Å; I146-L162 HydrophobicContact CD1-CD1 4.2Å; I146-I167 HydrophobicContact CD1-CD1 3.94Å; I146-L170 HydrophobicContact CD1-CD2 4.27Å; I146-P171 HydrophobicContact CB-CG 4.38Å; I146-P171 WeakPolarHBondContact O-CG 3.23Å; I146-I174 HydrophobicContact CG2-CD1 3.94Å; I146-I174 HydrophobicContact CG2-CG1 4.39Å
147	E	92.6	Very high	90.9	Very high	79 Å²	79	46.6 Å²	46.6	37%	0.369	21%	0.208	S	C	.	.			trans	-74	154.2	179	-71.3	-178.2	176	0	0	112.1	I121 L122 R123 A124 G149 A150	I121-E147 HydrophobicContact CG2-CG 4.5Å; L122-E147 PolarHBondContact O-N 3.43Å; R123-E147 WeakPolarHBondContact CA-OE2 3.47Å; R123-E147 VanDerWaalsContact CB-OE2 3.24Å; R123-E147 WeakPolarHBondContact CB-OE2 3.14Å; A124-E147 PolarHBondContact N-OE2 3.29Å; E147-G149 PolarHBondContact O-N 3.36Å; E147-A150 PolarHBondContact O-N 3.49Å; E147-A150 VanDerWaalsContact O-N 3.17Å
148	R	89.2	Confident	90.8	Very high	184 Å²	184	47.6 Å²	47.6	69%	0.694	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	108.6	177.9	-73.4	177.4	177.8	-102.2	-14.8	109.6	P171 D172	R148-P171 HydrophobicContact CG-CB 4.09Å; R148-D172 IonicContact CZ-OD2 2.64Å; R148-D172 IonicContact NH1-OD2 2.73Å; R148-D172 PolarHBondContact NH1-OD2 3.37Å; R148-D172 IonicContact NH2-OD2 3.66Å; R148-D172 PolarHBondContact NH2-OD2 3.19Å
149	G	88.2	Confident	90.6	Very high	10 Å²	10	47.6 Å²	47.6	10%	0.103	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	14.4	176.3	0	0	0	0	0	116.6	E147 F151 N152	E147-G149 PolarHBondContact O-N 3.36Å; G149-F151 PolarHBondContact O-N 3.25Å; G149-N152 VanDerWaalsContact CA-ND2 3.32Å; G149-N152 WeakPolarHBondContact CA-ND2 3.47Å; G149-N152 WeakPolarHBondContact CA-OD1 3.18Å; G149-N152 VanDerWaalsContact O-CB 3.27Å; G149-N152 WeakPolarHBondContact O-CB 3.44Å; G149-N152 PolarHBondContact O-N 3.27Å
150	A	91.7	Very high	90.9	Very high	4 Å²	4	47.4 Å²	47.4	3%	0.033	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-32.4	175.2	0	0	0	0	0	114.3	I146 E147 I174	I146-A150 HydrophobicContact CG2-CB 3.72Å; E147-A150 PolarHBondContact O-N 3.49Å; E147-A150 VanDerWaalsContact O-N 3.17Å; A150-I174 HydrophobicContact CB-CD1 4.35Å
151	F	92.2	Very high	91.1	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	5.6	177.4	-46.4	-46.4	0	0	0	114.2	L122 F127 L136 I146 G149 K153 L154 L160 L162 I174 F175	L122-F151 HydrophobicContact CD1-CE1 4.23Å; L122-F151 HydrophobicContact CD1-CZ 4.17Å; F127-F151 HydrophobicContact CD2-CD1 4.22Å; F127-F151 HydrophobicContact CD2-CE1 4.34Å; F127-F151 HydrophobicContact CE2-CD1 4.08Å; F127-F151 AromaticContact CE2-CE1 3.74Å; F127-F151 HydrophobicContact CE2-CE1 3.74Å; F127-F151 HydrophobicContact CZ-CE1 4.47Å; L136-F151 HydrophobicContact CD2-CD1 4.4Å; L136-F151 HydrophobicContact CD2-CE1 3.97Å; I146-F151 HydrophobicContact CD1-CE2 4.47Å; I146-F151 HydrophobicContact CD1-CZ 4.3Å; I146-F151 HydrophobicContact CG2-CE2 4.46Å; I146-F151 HydrophobicContact CG2-CZ 4.43Å; G149-F151 PolarHBondContact O-N 3.25Å; F151-K153 PolarHBondContact O-N 2.83Å; F151-L154 HydrophobicContact CB-CD1 4.3Å; F151-L154 HydrophobicContact CD1-CD1 3.91Å; F151-L154 PolarHBondContact O-N 2.98Å; F151-L160 HydrophobicContact CD2-CD2 4.18Å; F151-L160 HydrophobicContact CE2-CD2 3.72Å; F151-L160 HydrophobicContact CZ-CD1 4.26Å; F151-L160 HydrophobicContact CZ-CD2 4.08Å; F151-L162 HydrophobicContact CZ-CD1 4.43Å; F151-I174 HydrophobicContact CD2-CD1 3.93Å; F151-I174 HydrophobicContact CD2-CG1 3.72Å; F151-I174 HydrophobicContact CE2-CD1 4.35Å; F151-I174 HydrophobicContact CE2-CG1 4.01Å; F151-I174 HydrophobicContact CG-CD1 4.5Å; F151-F175 HydrophobicContact CD2-CD1 4.2Å; F151-F175 AromaticContact CD2-CE1 3.92Å; F151-F175 HydrophobicContact CD2-CE1 3.92Å; F151-F175 HydrophobicContact CE2-CE1 4.02Å
152	N	88.4	Confident	91.2	Very high	59 Å²	59	46.1 Å²	46.1	32%	0.316	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.1	-174.5	-81	-2.2	0	0	0	114.2	G149 H155 F177	G149-N152 VanDerWaalsContact CA-ND2 3.32Å; G149-N152 WeakPolarHBondContact CA-ND2 3.47Å; G149-N152 WeakPolarHBondContact CA-OD1 3.18Å; G149-N152 VanDerWaalsContact O-CB 3.27Å; G149-N152 WeakPolarHBondContact O-CB 3.44Å; G149-N152 PolarHBondContact O-N 3.27Å; N152-H155 PolarHBondContact O-CE1 3.3Å; N152-F177 HydrophobicContact CB-CD2 4.06Å
153	K	87.4	Confident	91	Very high	93 Å²	93	42.8 Å²	42.8	40%	0.404	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-9.5	179.2	-69.7	-55.6	-150.4	140	0	114.4	E131 F151 H155	E131-K153 WeakPolarHBondContact CA-O 3.13Å; E131-K153 HydrophobicContact CG-CB 4.41Å; E131-K153 IonicContact OE1-NZ 3.14Å; E131-K153 PolarHBondContact OE1-NZ 3.43Å; F151-K153 PolarHBondContact O-N 2.83Å; K153-H155 VanDerWaalsContact C-N 3.26Å; K153-H155 PolarHBondContact O-CD2 2.93Å; K153-H155 PolarHBondContact O-N 3.02Å
154	L	91.8	Very high	90.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	19%	0.194	C	C	.	.			trans	-91.6	60.4	-171.6	-54.3	-176.8	0	0	0	110.7	F127 I130 L133 L136 F151 K156 L157	F127-L154 HydrophobicContact CB-CD1 4.2Å; F127-L154 HydrophobicContact CB-CD2 4.01Å; F127-L154 HydrophobicContact CB-CG 4.45Å; F127-L154 HydrophobicContact CD2-CD1 4.3Å; F127-L154 HydrophobicContact CG-CD1 4.24Å; I130-L154 HydrophobicContact CG1-CD2 4.15Å; I130-L154 WeakPolarHBondContact O-CD2 3.45Å; L133-L154 HydrophobicContact CB-CD2 4.22Å; L133-L154 HydrophobicContact CD2-CD1 4.3Å; L136-L154 HydrophobicContact CD2-CD1 4.31Å; F151-L154 HydrophobicContact CB-CD1 4.3Å; F151-L154 HydrophobicContact CD1-CD1 3.91Å; F151-L154 PolarHBondContact O-N 2.98Å; L154-K156 PolarHBondContact O-N 2.99Å; L154-L157 HydrophobicContact CB-CB 3.95Å; L154-L157 HydrophobicContact CB-CD2 4.29Å; L154-L157 HydrophobicContact CD1-CD2 4.11Å; L154-L157 VanDerWaalsContact O-CB 3.31Å; L154-L157 WeakPolarHBondContact O-CB 3.12Å; L154-L157 PolarHBondContact O-N 3.47Å
155	H	90.2	Very high	90.6	Very high	95 Å²	95	39 Å²	39	44%	0.44	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-15.4	-169.9	-62.1	-51.6	0	0	0	115.1	N152 K153 F177	N152-H155 PolarHBondContact O-CE1 3.3Å; K153-H155 VanDerWaalsContact C-N 3.26Å; K153-H155 PolarHBondContact O-CD2 2.93Å; K153-H155 PolarHBondContact O-N 3.02Å; H155-F177 WeakPolarHBondContact CA-O 3.23Å
156	K	90.8	Very high	90.6	Very high	101 Å²	101	36 Å²	36	44%	0.439	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	0.7	178.4	-63.7	-172.1	-178.4	172.4	0	114.2	N132 L133 E134 L154 K158	N132-K156 WeakPolarHBondContact OD1-CE 3.27Å; N132-K156 PolarHBondContact OD1-NZ 2.81Å; L133-K156 CarbonylContact O-C 3.39Å; E134-K156 HydrophobicContact CG-CB 3.97Å; L154-K156 PolarHBondContact O-N 2.99Å; K156-K158 WeakPolarHBondContact O-CG 3.42Å; K156-K158 PolarHBondContact O-N 3.07Å
157	L	93.1	Very high	90.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.162	C	C	.	.			trans	-64.8	123.6	-173.2	-172.2	66.4	0	0	0	111.1	L133 L136 L154 V159 L160 A178 S179 L180	L133-L157 HydrophobicContact CD2-CD1 4.32Å; L133-L157 WeakPolarHBondContact O-CA 3.35Å; L133-L157 PolarHBondContact O-N 2.8Å; L136-L157 HydrophobicContact CB-CD1 3.73Å; L154-L157 HydrophobicContact CB-CB 3.95Å; L154-L157 HydrophobicContact CB-CD2 4.29Å; L154-L157 HydrophobicContact CD1-CD2 4.11Å; L154-L157 VanDerWaalsContact O-CB 3.31Å; L154-L157 WeakPolarHBondContact O-CB 3.12Å; L154-L157 PolarHBondContact O-N 3.47Å; L157-V159 WeakPolarHBondContact CD1-O 3.11Å; L157-L160 HydrophobicContact CD2-CB 4.44Å; L157-A178 HydrophobicContact CB-CB 4.28Å; L157-S179 CarbonylContact O-C 3.51Å; L157-L180 HydrophobicContact CB-CD2 4.46Å; L157-L180 HydrophobicContact CD2-CD2 4.03Å; L157-L180 HydrophobicContact CG-CD2 3.83Å
158	K	89.3	Confident	90.5	Very high	33 Å²	33	34.1 Å²	34.1	14%	0.143	16%	0.161	C	C	.	.			trans	-113.2	-38.2	179.4	-53.6	-167.4	-167.3	178.1	0	112.7	E134 K156 T181 H182 Y824 V827	E134-K158 PolarHBondContact O-N 3.39Å; K156-K158 WeakPolarHBondContact O-CG 3.42Å; K156-K158 PolarHBondContact O-N 3.07Å; K158-T181 HydrophobicContact CB-CG2 4.49Å; K158-T181 PolarHBondContact O-N 3.48Å; K158-T181 PolarHBondContact O-OG1 2.92Å; K158-H182 PolarHBondContact O-N 3.01Å; K158-Y824 HydrophobicContact CD-CE2 4.08Å; K158-Y824 PolarHBondContact NZ-OH 3.49Å; K158-V827 HydrophobicContact CB-CG1 4.49Å
159	V	90.1	Very high	90.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.1	-176	-172.9	0	0	0	0	108.6	E134 Y135 L136 L157 I161 H182 P822 Y824 V827	E134-V159 PolarHBondContact O-N 3.37Å; Y135-V159 HydrophobicContact CD2-CB 3.63Å; Y135-V159 HydrophobicContact CD2-CG1 3.66Å; Y135-V159 HydrophobicContact CD2-CG2 4.07Å; Y135-V159 HydrophobicContact CE2-CB 4.28Å; Y135-V159 HydrophobicContact CE2-CG1 3.78Å; Y135-V159 HydrophobicContact CG-CB 4.32Å; L136-V159 PolarHBondContact N-O 2.75Å; L157-V159 WeakPolarHBondContact CD1-O 3.11Å; V159-I161 HydrophobicContact CG1-CD1 3.68Å; V159-I161 HydrophobicContact CG1-CG1 4.04Å; V159-H182 HydrophobicContact CB-CB 4.46Å; V159-H182 HydrophobicContact CG1-CB 4.1Å; V159-H182 HydrophobicContact CG2-CB 4.25Å; V159-P822 HydrophobicContact CG1-CG 4.17Å; V159-Y824 HydrophobicContact CG2-CD2 4.1Å; V159-V827 HydrophobicContact CG2-CB 4.25Å; V159-V827 HydrophobicContact CG2-CG1 4.02Å; V159-V827 HydrophobicContact CG2-CG2 3.73Å
160	L	94.2	Very high	90.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	115.1	176.6	178.4	58.9	0	0	0	109.8	L136 F151 L157 L162 F175 L180 H182 L183 D184	L136-L160 HydrophobicContact CB-CD1 4.1Å; L136-L160 HydrophobicContact CD2-CD1 3.9Å; L136-L160 HydrophobicContact CG-CD1 4.04Å; L136-L160 WeakPolarHBondContact O-CA 3.37Å; F151-L160 HydrophobicContact CD2-CD2 4.18Å; F151-L160 HydrophobicContact CE2-CD2 3.72Å; F151-L160 HydrophobicContact CZ-CD1 4.26Å; F151-L160 HydrophobicContact CZ-CD2 4.08Å; L157-L160 HydrophobicContact CD2-CB 4.44Å; L160-L162 HydrophobicContact CD1-CD1 4.05Å; L160-L162 HydrophobicContact CD1-CD2 4.2Å; L160-L162 HydrophobicContact CD1-CG 3.89Å; L160-L162 HydrophobicContact CD2-CD1 3.92Å; L160-L162 HydrophobicContact CG-CD1 3.89Å; L160-L162 HydrophobicContact CG-CG 4Å; L160-F175 HydrophobicContact CD2-CD1 4.49Å; L160-F175 HydrophobicContact CD2-CE1 3.59Å; L160-F175 HydrophobicContact CD2-CZ 4.25Å; L160-L180 HydrophobicContact CB-CD1 4.23Å; L160-L180 HydrophobicContact CB-CD2 3.82Å; L160-L180 HydrophobicContact CD2-CD1 4.11Å; L160-H182 PolarHBondContact N-O 3.39Å; L160-L183 HydrophobicContact CB-CD1 4.08Å; L160-L183 HydrophobicContact CD2-CD1 4.02Å; L160-L183 HydrophobicContact CG-CD1 4.04Å; L160-L183 WeakPolarHBondContact O-CA 3.34Å; L160-D184 PolarHBondContact O-N 2.88Å; L160-D184 VanDerWaalsContact O-N 3.09Å
161	I	89.7	Confident	90.6	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115.3	-177.4	-60.3	138.9	0	0	0	108.2	Y135 L136 Q137 A138 D139 V159 N163 D184 P822	Y135-I161 HydrophobicContact CE1-CD1 4.42Å; Y135-I161 HydrophobicContact CE2-CD1 3.67Å; Y135-I161 WeakPolarHBondContact OH-CD1 3.1Å; L136-I161 PolarHBondContact O-N 3.07Å; Q137-I161 HydrophobicContact CB-CB 4.4Å; Q137-I161 HydrophobicContact CB-CD1 4.08Å; Q137-I161 HydrophobicContact CG-CB 4.29Å; Q137-I161 HydrophobicContact CG-CD1 4.27Å; Q137-I161 HydrophobicContact CG-CG2 4.29Å; A138-I161 PolarHBondContact N-O 3.42Å; D139-I161 HydrophobicContact CB-CG2 4.21Å; V159-I161 HydrophobicContact CG1-CD1 3.68Å; V159-I161 HydrophobicContact CG1-CG1 4.04Å; I161-N163 WeakPolarHBondContact CG2-OD1 3.44Å; I161-D184 HydrophobicContact CG2-CB 4.46Å; I161-P822 HydrophobicContact CD1-CG 4.34Å; I161-P822 HydrophobicContact CG1-CG 4.44Å
162	L	93.6	Very high	90.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.			trans	-131.5	17.5	-174.7	-67.9	173.5	0	0	0	112.1	L122 A138 I146 F151 L160 N165 I167 D184 I185 N188	L122-L162 HydrophobicContact CD1-CD2 4.42Å; A138-L162 HydrophobicContact CB-CD2 4.16Å; I146-L162 HydrophobicContact CD1-CD1 4.2Å; F151-L162 HydrophobicContact CZ-CD1 4.43Å; L160-L162 HydrophobicContact CD1-CD1 4.05Å; L160-L162 HydrophobicContact CD1-CD2 4.2Å; L160-L162 HydrophobicContact CD1-CG 3.89Å; L160-L162 HydrophobicContact CD2-CD1 3.92Å; L160-L162 HydrophobicContact CG-CD1 3.89Å; L160-L162 HydrophobicContact CG-CG 4Å; L162-N165 PolarHBondContact O-ND2 3.06Å; L162-I167 HydrophobicContact CB-CD1 4.15Å; L162-I167 HydrophobicContact CD1-CD1 4.22Å; L162-D184 PolarHBondContact N-O 3.08Å; L162-I185 HydrophobicContact CB-CG2 4.41Å; L162-N188 PolarHBondContact O-ND2 2.77Å
163	N	87.3	Confident	90.3	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.011	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	156	-174.9	65.8	-80.9	0	0	0	113.4	D139 Y140 I161 N165 R186 Q819	D139-N163 WeakPolarHBondContact CA-O 3.48Å; D139-N163 WeakPolarHBondContact CB-OD1 3.15Å; Y140-N163 WeakPolarHBondContact CE1-ND2 3.27Å; Y140-N163 PolarHBondContact N-O 2.94Å; I161-N163 WeakPolarHBondContact CG2-OD1 3.44Å; N163-N165 PolarHBondContact O-N 2.86Å; N163-N165 PolarHBondContact O-ND2 2.96Å; N163-R186 CarbonylContact C-O 3.48Å; N163-R186 WeakPolarHBondContact CA-O 3.29Å; N163-R186 HydrophobicContact CB-CB 4.13Å; N163-Q819 VanDerWaalsContact CB-OE1 3.26Å; N163-Q819 PolarHBondContact ND2-OE1 2.86Å; N163-Q819 VanDerWaalsContact ND2-OE1 3.08Å
164	D	86.6	Confident	90.4	Very high	23 Å²	23	29.3 Å²	29.3	12%	0.123	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	45.4	176.2	-59.9	-82	0	0	0	113	Y140 R186 A816 Q819	Y140-D164 HydrophobicContact CD1-CB 3.53Å; Y140-D164 HydrophobicContact CE1-CB 3.39Å; Y140-D164 VanDerWaalsContact CE1-OD2 3.3Å; Y140-D164 WeakPolarHBondContact CE1-OD2 3.45Å; D164-R186 PolarHBondContact N-O 3.39Å; D164-A816 HydrophobicContact CB-CB 4.25Å; D164-Q819 PolarHBondContact OD2-NE2 2.88Å; D164-Q819 PolarHBondContact OD2-OE1 3.33Å
165	N	91.6	Very high	90.3	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.011	15%	0.147	C	C	.	.	S	Bend	trans	-104.6	-167.6	168.5	-88.5	-91.2	0	0	0	109.7	A138 N141 I143 L162 N163 I167 N188	A138-N165 PolarHBondContact O-ND2 3.05Å; N141-N165 WeakPolarHBondContact CA-OD1 3.34Å; N141-N165 WeakPolarHBondContact CB-OD1 3.31Å; N141-N165 PolarHBondContact O-OD1 2.83Å; I143-N165 HydrophobicContact CB-CB 4.35Å; I143-N165 WeakPolarHBondContact CB-OD1 3.19Å; I143-N165 WeakPolarHBondContact CD1-OD1 3.36Å; I143-N165 VanDerWaalsContact CG1-OD1 3.26Å; I143-N165 WeakPolarHBondContact CG1-OD1 3.4Å; I143-N165 PolarHBondContact N-OD1 3.31Å; L162-N165 PolarHBondContact O-ND2 3.06Å; N163-N165 PolarHBondContact O-N 2.86Å; N163-N165 PolarHBondContact O-ND2 2.96Å; N165-I167 HydrophobicContact CB-CD1 4.27Å; N165-I167 HydrophobicContact CB-CG1 4.18Å; N165-N188 WeakPolarHBondContact CA-OD1 3.27Å; N165-N188 WeakPolarHBondContact CB-OD1 3.17Å; N165-N188 PolarHBondContact O-OD1 2.94Å
166	L	91.6	Very high	90.2	Very high	60 Å²	60	32 Å²	32	31%	0.314	15%	0.152	S	C	.	.			trans	-115.2	24.3	-177.9	-60.1	176.2	0	0	0	112.3	L142 I143 K144 S168	L142-L166 HydrophobicContact CD2-CD1 4.36Å; I143-L166 CarbonylContact O-C 3.59Å; I143-L166 VanDerWaalsContact O-CA 3.28Å; I143-L166 WeakPolarHBondContact O-CA 3.17Å; I143-L166 PolarHBondContact O-N 3.04Å; K144-L166 HydrophobicContact CG-CB 3.66Å; K144-L166 HydrophobicContact CG-CD1 4.16Å; L166-S168 PolarHBondContact O-N 2.68Å
167	I	94.8	Very high	89.9	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.15	C	C	.	.			trans	-67.3	122.8	-174.1	-58.3	165.8	0	0	0	108.8	I143 I146 L162 N165 F169 L170 N188 R189 I190	I143-I167 HydrophobicContact CB-CG1 4.44Å; I143-I167 HydrophobicContact CG2-CG1 4.12Å; I143-I167 WeakPolarHBondContact O-CG1 3.22Å; I143-I167 PolarHBondContact O-N 3.46Å; I146-I167 HydrophobicContact CD1-CD1 3.94Å; L162-I167 HydrophobicContact CB-CD1 4.15Å; L162-I167 HydrophobicContact CD1-CD1 4.22Å; N165-I167 HydrophobicContact CB-CD1 4.27Å; N165-I167 HydrophobicContact CB-CG1 4.18Å; I167-F169 VanDerWaalsContact CG2-O 3.32Å; I167-F169 WeakPolarHBondContact CG2-O 3.5Å; I167-L170 HydrophobicContact CG2-CD2 4Å; I167-N188 HydrophobicContact CB-CB 4.45Å; I167-N188 VanDerWaalsContact CB-OD1 3.23Å; I167-N188 WeakPolarHBondContact CB-OD1 3.33Å; I167-N188 VanDerWaalsContact CG1-OD1 3.31Å; I167-N188 WeakPolarHBondContact CG1-OD1 3.06Å; I167-N188 PolarHBondContact N-OD1 2.99Å; I167-R189 CarbonylContact O-C 3.55Å; I167-R189 VanDerWaalsContact O-CA 3.24Å; I167-R189 WeakPolarHBondContact O-CA 3.43Å; I167-R189 PolarHBondContact O-N 3.48Å; I167-I190 HydrophobicContact CG2-CD1 4.38Å; I167-I190 HydrophobicContact CG2-CG1 4.26Å; I167-I190 WeakPolarHBondContact O-CG1 3.42Å; I167-I190 PolarHBondContact O-N 3.12Å
168	S	89.1	Confident	89.7	Confident	49 Å²	49	31.6 Å²	31.6	34%	0.343	15%	0.152	S	C	.	.			trans	-96.7	-26.7	-178.1	51.4	0	0	0	0	113.9	L166	L166-S168 PolarHBondContact O-N 2.68Å
169	F	89.1	Confident	89.5	Confident	107 Å²	107	32.6 Å²	32.6	47%	0.469	16%	0.163	S	C	.	.			trans	-154.9	158	174.7	65.1	-87.7	0	0	0	110.1	Y145 I167	Y145-F169 HydrophobicContact CD1-CE1 4.37Å; I167-F169 VanDerWaalsContact CG2-O 3.32Å; I167-F169 WeakPolarHBondContact CG2-O 3.5Å
170	L	91.4	Very high	89.5	Confident	8 Å²	8	32.8 Å²	32.8	4%	0.042	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-100.6	138.3	169.6	-64.5	179.8	0	0	0	109.8	I146 I167 I174 F175 I190 L193 V198	I146-L170 HydrophobicContact CD1-CD2 4.27Å; I167-L170 HydrophobicContact CG2-CD2 4Å; L170-I174 HydrophobicContact CB-CG2 4.38Å; L170-F175 HydrophobicContact CD1-CE2 3.96Å; L170-F175 HydrophobicContact CD1-CZ 4.08Å; L170-I190 HydrophobicContact CG-CD1 4.39Å; L170-L193 HydrophobicContact CD1-CD2 3.81Å; L170-L193 HydrophobicContact CG-CD2 4.35Å; L170-V198 HydrophobicContact CB-CG2 4.41Å; L170-V198 HydrophobicContact CD1-CG1 4.22Å
171	P	90.3	Very high	89.1	Confident	5 Å²	5	33.2 Å²	33.2	3%	0.032	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-67.8	153.4	178.4	-20.2	32.1	0	0	0	114	I146 R148 N173 I174	I146-P171 HydrophobicContact CB-CG 4.38Å; I146-P171 WeakPolarHBondContact O-CG 3.23Å; R148-P171 HydrophobicContact CG-CB 4.09Å; P171-N173 PolarHBondContact O-N 3.24Å; P171-I174 HydrophobicContact CB-CB 4.35Å; P171-I174 HydrophobicContact CG-CD1 4.45Å; P171-I174 VanDerWaalsContact O-CB 3.3Å; P171-I174 WeakPolarHBondContact O-CB 3.24Å; P171-I174 VanDerWaalsContact O-CG2 3.24Å; P171-I174 WeakPolarHBondContact O-CG2 3.39Å; P171-I174 PolarHBondContact O-N 2.85Å
172	D	87.1	Confident	88.9	Confident	71 Å²	71	33.3 Å²	33.3	38%	0.38	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	136.3	173	-34.3	-56.8	0	0	0	111.2	R148 I174	R148-D172 IonicContact CZ-OD2 2.64Å; R148-D172 IonicContact NH1-OD2 2.73Å; R148-D172 PolarHBondContact NH1-OD2 3.37Å; R148-D172 IonicContact NH2-OD2 3.66Å; R148-D172 PolarHBondContact NH2-OD2 3.19Å; D172-I174 PolarHBondContact O-N 3.39Å
173	N	87.5	Confident	88.8	Confident	58 Å²	58	33.5 Å²	33.5	31%	0.31	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	15.7	179.3	-64.3	-87.3	0	0	0	115.4	P171 F175 R176 G197	P171-N173 PolarHBondContact O-N 3.24Å; N173-F175 PolarHBondContact O-N 2.87Å; N173-F175 VanDerWaalsContact O-N 3.1Å; N173-R176 HydrophobicContact CB-CB 4.03Å; N173-R176 VanDerWaalsContact O-CB 3.24Å; N173-R176 WeakPolarHBondContact O-CB 3.41Å; N173-R176 PolarHBondContact O-N 3.26Å; N173-G197 WeakPolarHBondContact CA-O 3.26Å; N173-G197 PolarHBondContact N-O 3.2Å
174	I	89.9	Confident	88.7	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.2	-176	-168.1	57.2	0	0	0	114.4	I146 A150 F151 L170 P171 D172	I146-I174 HydrophobicContact CG2-CD1 3.94Å; I146-I174 HydrophobicContact CG2-CG1 4.39Å; A150-I174 HydrophobicContact CB-CD1 4.35Å; F151-I174 HydrophobicContact CD2-CD1 3.93Å; F151-I174 HydrophobicContact CD2-CG1 3.72Å; F151-I174 HydrophobicContact CE2-CD1 4.35Å; F151-I174 HydrophobicContact CE2-CG1 4.01Å; F151-I174 HydrophobicContact CG-CD1 4.5Å; L170-I174 HydrophobicContact CB-CG2 4.38Å; P171-I174 HydrophobicContact CB-CB 4.35Å; P171-I174 HydrophobicContact CG-CD1 4.45Å; P171-I174 VanDerWaalsContact O-CB 3.3Å; P171-I174 WeakPolarHBondContact O-CB 3.24Å; P171-I174 VanDerWaalsContact O-CG2 3.24Å; P171-I174 WeakPolarHBondContact O-CG2 3.39Å; P171-I174 PolarHBondContact O-N 2.85Å; D172-I174 PolarHBondContact O-N 3.39Å
175	F	89.8	Confident	89	Confident	3 Å²	3	32.7 Å²	32.7	1%	0.013	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	5.3	177.1	-53.6	-49.1	0	0	0	114.2	F151 L160 L170 N173 F177 A178 L180 L183 V198 H201 I202	F151-F175 HydrophobicContact CD2-CD1 4.2Å; F151-F175 AromaticContact CD2-CE1 3.92Å; F151-F175 HydrophobicContact CD2-CE1 3.92Å; F151-F175 HydrophobicContact CE2-CE1 4.02Å; L160-F175 HydrophobicContact CD2-CD1 4.49Å; L160-F175 HydrophobicContact CD2-CE1 3.59Å; L160-F175 HydrophobicContact CD2-CZ 4.25Å; L170-F175 HydrophobicContact CD1-CE2 3.96Å; L170-F175 HydrophobicContact CD1-CZ 4.08Å; N173-F175 PolarHBondContact O-N 2.87Å; N173-F175 VanDerWaalsContact O-N 3.1Å; F175-F177 PolarHBondContact O-N 2.9Å; F175-A178 PolarHBondContact O-N 3.49Å; F175-L180 HydrophobicContact CD1-CD1 3.66Å; F175-L180 HydrophobicContact CE1-CD1 3.78Å; F175-L180 HydrophobicContact CG-CD1 4.07Å; F175-L180 HydrophobicContact CZ-CD1 4.26Å; F175-L183 HydrophobicContact CE2-CD2 4.04Å; F175-L183 HydrophobicContact CZ-CD1 4.43Å; F175-L183 HydrophobicContact CZ-CD2 4.11Å; F175-V198 HydrophobicContact CD2-CG1 4.3Å; F175-V198 HydrophobicContact CE2-CG1 4.16Å; F175-H201 HydrophobicContact CB-CB 4.09Å; F175-I202 HydrophobicContact CD2-CD1 3.76Å; F175-I202 HydrophobicContact CD2-CG1 3.9Å; F175-I202 HydrophobicContact CE2-CD1 3.85Å; F175-I202 HydrophobicContact CE2-CG1 4.43Å
176	R	86.8	Confident	88.8	Confident	147 Å²	147	34.3 Å²	34.3	56%	0.555	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-26.8	-174.7	176.6	176.4	174.5	179.2	0.5	114.5	N173	N173-R176 HydrophobicContact CB-CB 4.03Å; N173-R176 VanDerWaalsContact O-CB 3.24Å; N173-R176 WeakPolarHBondContact O-CB 3.41Å; N173-R176 PolarHBondContact O-N 3.26Å
177	F	86.1	Confident	88.5	Confident	90 Å²	90	32.1 Å²	32.1	40%	0.395	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	4.9	-178	-58.1	-73.1	0	0	0	113.9	N152 H155 F175	N152-F177 HydrophobicContact CB-CD2 4.06Å; H155-F177 WeakPolarHBondContact CA-O 3.23Å; F175-F177 PolarHBondContact O-N 2.9Å
178	A	87.4	Confident	88.4	Confident	4 Å²	4	32.1 Å²	32.1	3%	0.033	16%	0.162	C	C	.	.			trans	-122	108	-176.3	0	0	0	0	0	110.2	L157 F175 L180	L157-A178 HydrophobicContact CB-CB 4.28Å; F175-A178 PolarHBondContact O-N 3.49Å; A178-L180 PolarHBondContact O-N 2.94Å
179	S	85.8	Confident	88.5	Confident	54 Å²	54	35.1 Å²	35.1	38%	0.378	17%	0.165	S	C	.	.			trans	-81.2	66	-177.1	-177.6	0	0	0	0	111.5	L157	L157-S179 CarbonylContact O-C 3.51Å
180	L	89.4	Confident	88.7	Confident	3 Å²	3	30 Å²	30	2%	0.016	14%	0.143	C	C	.	.			trans	-56.8	143.6	-179.2	-63.4	-179.7	0	0	0	112.4	L157 L160 F175 A178 L183 V205	L157-L180 HydrophobicContact CB-CD2 4.46Å; L157-L180 HydrophobicContact CD2-CD2 4.03Å; L157-L180 HydrophobicContact CG-CD2 3.83Å; L160-L180 HydrophobicContact CB-CD1 4.23Å; L160-L180 HydrophobicContact CB-CD2 3.82Å; L160-L180 HydrophobicContact CD2-CD1 4.11Å; F175-L180 HydrophobicContact CD1-CD1 3.66Å; F175-L180 HydrophobicContact CE1-CD1 3.78Å; F175-L180 HydrophobicContact CG-CD1 4.07Å; F175-L180 HydrophobicContact CZ-CD1 4.26Å; A178-L180 PolarHBondContact O-N 2.94Å; L180-L183 HydrophobicContact CD1-CD1 4.25Å; L180-L183 HydrophobicContact CD1-CD2 4.29Å; L180-V205 HydrophobicContact CB-CG2 4.25Å; L180-V205 WeakPolarHBondContact O-CG2 3.31Å
181	T	86.8	Confident	88.6	Confident	9 Å²	9	34.3 Å²	34.3	6%	0.055	16%	0.163	C	C	.	.	S	Bend	trans	-119.3	-27	173.7	59.2	0	0	0	0	111.6	K158 V205 V206 E207 V827	K158-T181 HydrophobicContact CB-CG2 4.49Å; K158-T181 PolarHBondContact O-N 3.48Å; K158-T181 PolarHBondContact O-OG1 2.92Å; T181-V205 CarbonylContact O-C 3.12Å; T181-V205 WeakPolarHBondContact O-CA 3.4Å; T181-V205 WeakPolarHBondContact O-CG1 3.3Å; T181-V206 PolarHBondContact O-N 3.03Å; T181-E207 PolarHBondContact O-N 2.92Å; T181-V827 WeakPolarHBondContact OG1-CG1 3.2Å
182	H	84.7	Confident	88.6	Confident	4 Å²	4	38.9 Å²	38.9	2%	0.019	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	126.6	179	-74.1	60.1	0	0	0	108.7	K158 V159 L160 E207 V827 E830	K158-H182 PolarHBondContact O-N 3.01Å; V159-H182 HydrophobicContact CB-CB 4.46Å; V159-H182 HydrophobicContact CG1-CB 4.1Å; V159-H182 HydrophobicContact CG2-CB 4.25Å; L160-H182 PolarHBondContact N-O 3.39Å; H182-E207 WeakPolarHBondContact CA-O 3.37Å; H182-E207 VanDerWaalsContact CD2-CB 3.49Å; H182-E207 WeakPolarHBondContact CD2-CB 3.33Å; H182-E207 IonicContact CD2-OE2 2.71Å; H182-E207 PolarHBondContact CD2-OE2 3.13Å; H182-V827 VanDerWaalsContact CE1-CG2 3.46Å; H182-V827 WeakPolarHBondContact CE1-CG2 3.21Å; H182-V827 WeakPolarHBondContact ND1-CG2 3.35Å; H182-E830 IonicContact CE1-OE2 2.68Å; H182-E830 PolarHBondContact CE1-OE2 3.17Å; H182-E830 IonicContact NE2-OE2 3.09Å
183	L	91.5	Very high	88.7	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	109.2	-179.5	178	58.1	0	0	0	110.5	L160 F175 L180 I185 I202 E207 L208 Q209	L160-L183 HydrophobicContact CB-CD1 4.08Å; L160-L183 HydrophobicContact CD2-CD1 4.02Å; L160-L183 HydrophobicContact CG-CD1 4.04Å; L160-L183 WeakPolarHBondContact O-CA 3.34Å; F175-L183 HydrophobicContact CE2-CD2 4.04Å; F175-L183 HydrophobicContact CZ-CD1 4.43Å; F175-L183 HydrophobicContact CZ-CD2 4.11Å; L180-L183 HydrophobicContact CD1-CD1 4.25Å; L180-L183 HydrophobicContact CD1-CD2 4.29Å; L183-I185 HydrophobicContact CD1-CG2 3.74Å; L183-I185 HydrophobicContact CG-CG2 4.07Å; L183-I202 HydrophobicContact CD2-CD1 4.14Å; L183-E207 PolarHBondContact N-O 3.36Å; L183-L208 HydrophobicContact CB-CD1 3.86Å; L183-L208 HydrophobicContact CD2-CD1 3.78Å; L183-L208 HydrophobicContact CG-CD1 3.87Å; L183-L208 WeakPolarHBondContact O-CA 3.4Å; L183-Q209 PolarHBondContact O-N 2.97Å
184	D	86.5	Confident	88.6	Confident	6 Å²	6	35.1 Å²	35.1	3%	0.032	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	118.3	170.6	-172.5	-1.9	0	0	0	110.1	L160 I161 L162 R186 Q209	L160-D184 PolarHBondContact O-N 2.88Å; L160-D184 VanDerWaalsContact O-N 3.09Å; I161-D184 HydrophobicContact CG2-CB 4.46Å; L162-D184 PolarHBondContact N-O 3.08Å; D184-R186 VanDerWaalsContact OD1-CB 3.31Å; D184-R186 WeakPolarHBondContact OD1-CB 3.3Å; D184-R186 WeakPolarHBondContact OD1-CG 3.29Å; D184-R186 IonicContact OD1-CZ 3.18Å; D184-R186 PolarHBondContact OD1-N 3.14Å; D184-R186 IonicContact OD1-NE 3.19Å; D184-R186 PolarHBondContact OD1-NE 2.86Å; D184-R186 VanDerWaalsContact OD1-NE 3.08Å; D184-R186 IonicContact OD2-CZ 3.2Å; D184-R186 IonicContact OD2-NE 2.9Å; D184-R186 PolarHBondContact OD2-NE 3.18Å; D184-R186 VanDerWaalsContact OD2-NE 3.15Å; D184-R186 IonicContact OD2-NH2 2.7Å; D184-R186 PolarHBondContact OD2-NH2 3.2Å; D184-Q209 HydrophobicContact CB-CB 4.34Å; D184-Q209 PolarHBondContact OD2-OE1 3.12Å
185	I	92.6	Very high	88.3	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	18%	0.179	C	C	.	.			trans	-126.3	21.3	176	56.5	172.1	0	0	0	111.9	L162 L183 N188 I190 L193 Q209 L210 N213	L162-I185 HydrophobicContact CB-CG2 4.41Å; L183-I185 HydrophobicContact CD1-CG2 3.74Å; L183-I185 HydrophobicContact CG-CG2 4.07Å; I185-N188 WeakPolarHBondContact O-CB 3.27Å; I185-N188 PolarHBondContact O-ND2 3.07Å; I185-I190 HydrophobicContact CB-CD1 4.24Å; I185-I190 HydrophobicContact CD1-CD1 3.88Å; I185-L193 HydrophobicContact CD1-CD1 4.25Å; I185-Q209 WeakPolarHBondContact CG1-O 3.49Å; I185-Q209 PolarHBondContact N-O 3.23Å; I185-L210 HydrophobicContact CD1-CD2 3.75Å; I185-L210 HydrophobicContact CG1-CD2 4.07Å; I185-N213 PolarHBondContact O-ND2 3.36Å
186	R	87.3	Confident	87.8	Confident	36 Å²	36	45 Å²	45	14%	0.136	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	161.6	-179.4	-70	180	-65.4	-175.2	1.1	113.5	N163 D164 D184 N188 Q209 E211 Q819	N163-R186 CarbonylContact C-O 3.48Å; N163-R186 WeakPolarHBondContact CA-O 3.29Å; N163-R186 HydrophobicContact CB-CB 4.13Å; D164-R186 PolarHBondContact N-O 3.39Å; D184-R186 VanDerWaalsContact OD1-CB 3.31Å; D184-R186 WeakPolarHBondContact OD1-CB 3.3Å; D184-R186 WeakPolarHBondContact OD1-CG 3.29Å; D184-R186 IonicContact OD1-CZ 3.18Å; D184-R186 PolarHBondContact OD1-N 3.14Å; D184-R186 IonicContact OD1-NE 3.19Å; D184-R186 PolarHBondContact OD1-NE 2.86Å; D184-R186 VanDerWaalsContact OD1-NE 3.08Å; D184-R186 IonicContact OD2-CZ 3.2Å; D184-R186 IonicContact OD2-NE 2.9Å; D184-R186 PolarHBondContact OD2-NE 3.18Å; D184-R186 VanDerWaalsContact OD2-NE 3.15Å; D184-R186 IonicContact OD2-NH2 2.7Å; D184-R186 PolarHBondContact OD2-NH2 3.2Å; R186-N188 PolarHBondContact O-N 2.85Å; R186-N188 PolarHBondContact O-ND2 2.69Å; R186-Q209 HydrophobicContact CG-CB 3.78Å; R186-Q209 VanDerWaalsContact NE-OE1 3.11Å; R186-E211 VanDerWaalsContact CA-O 3.25Å; R186-E211 WeakPolarHBondContact CA-O 3.1Å; R186-E211 WeakPolarHBondContact CD-OE2 3.23Å; R186-E211 HydrophobicContact CG-CB 3.89Å; R186-E211 IonicContact NH1-OE2 3.47Å; R186-Q819 VanDerWaalsContact CZ-OE1 3.24Å; R186-Q819 VanDerWaalsContact NE-OE1 3.12Å; R186-Q819 VanDerWaalsContact NH2-OE1 3.07Å
187	G	84.7	Confident	87.5	Confident	15 Å²	15	38 Å²	38	16%	0.155	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	10.3	171.4	0	0	0	0	0	115.6	E211 D212	G187-E211 PolarHBondContact N-O 3.37Å; G187-D212 CarbonylContact C-O 3.15Å; G187-D212 VanDerWaalsContact CA-O 3.27Å; G187-D212 WeakPolarHBondContact CA-O 3.1Å; G187-D212 PolarHBondContact N-O 3.42Å
188	N	92.9	Very high	87.5	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-89.3	-168.8	-178.3	-86.9	-85.3	0	0	0	111.3	L162 N165 I167 I185 R186 I190 N213 P214	L162-N188 PolarHBondContact O-ND2 2.77Å; N165-N188 WeakPolarHBondContact CA-OD1 3.27Å; N165-N188 WeakPolarHBondContact CB-OD1 3.17Å; N165-N188 PolarHBondContact O-OD1 2.94Å; I167-N188 HydrophobicContact CB-CB 4.45Å; I167-N188 VanDerWaalsContact CB-OD1 3.23Å; I167-N188 WeakPolarHBondContact CB-OD1 3.33Å; I167-N188 VanDerWaalsContact CG1-OD1 3.31Å; I167-N188 WeakPolarHBondContact CG1-OD1 3.06Å; I167-N188 PolarHBondContact N-OD1 2.99Å; I185-N188 WeakPolarHBondContact O-CB 3.27Å; I185-N188 PolarHBondContact O-ND2 3.07Å; R186-N188 PolarHBondContact O-N 2.85Å; R186-N188 PolarHBondContact O-ND2 2.69Å; N188-I190 HydrophobicContact CB-CD1 4.34Å; N188-I190 HydrophobicContact CB-CG1 4.23Å; N188-N213 WeakPolarHBondContact CA-OD1 3.46Å; N188-N213 WeakPolarHBondContact CB-OD1 3.44Å; N188-N213 PolarHBondContact O-OD1 3.47Å; N188-P214 VanDerWaalsContact O-CD 3.31Å; N188-P214 WeakPolarHBondContact O-CD 3.2Å
189	R	92	Very high	87.4	Confident	112 Å²	112	33.7 Å²	33.7	42%	0.423	17%	0.165	S	C	.	.			trans	-114.3	25.2	-179.5	-59.5	-61	175.8	175.8	-5.3	112.5	I167 Q191 P214	I167-R189 CarbonylContact O-C 3.55Å; I167-R189 VanDerWaalsContact O-CA 3.24Å; I167-R189 WeakPolarHBondContact O-CA 3.43Å; I167-R189 PolarHBondContact O-N 3.48Å; R189-Q191 PolarHBondContact O-N 2.67Å; R189-P214 HydrophobicContact CB-CG 4.48Å
190	I	92.8	Very high	87.3	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.168	C	C	.	.			trans	-73.9	120.4	-176.8	-58.3	171	0	0	0	109.3	I167 L170 I185 N188 K192 L193 N213 W215	I167-I190 HydrophobicContact CG2-CD1 4.38Å; I167-I190 HydrophobicContact CG2-CG1 4.26Å; I167-I190 WeakPolarHBondContact O-CG1 3.42Å; I167-I190 PolarHBondContact O-N 3.12Å; L170-I190 HydrophobicContact CG-CD1 4.39Å; I185-I190 HydrophobicContact CB-CD1 4.24Å; I185-I190 HydrophobicContact CD1-CD1 3.88Å; N188-I190 HydrophobicContact CB-CD1 4.34Å; N188-I190 HydrophobicContact CB-CG1 4.23Å; I190-K192 WeakPolarHBondContact CG2-O 3.34Å; I190-L193 HydrophobicContact CG2-CD2 4.02Å; I190-L193 HydrophobicContact CG2-CG 4.25Å; I190-N213 WeakPolarHBondContact CB-OD1 3.48Å; I190-N213 PolarHBondContact N-OD1 3.3Å; I190-N213 VanDerWaalsContact N-OD1 3.08Å; I190-W215 HydrophobicContact CB-CH2 4.34Å; I190-W215 HydrophobicContact CG2-CH2 3.79Å; I190-W215 HydrophobicContact CG2-CZ3 3.73Å
191	Q	89.5	Confident	87	Confident	98 Å²	98	38.1 Å²	38.1	46%	0.458	18%	0.179	S	C	.	.			trans	-93.4	-27.5	177.6	-62.5	-177.4	7.9	0	0	112.7	R189 P214 N216	R189-Q191 PolarHBondContact O-N 2.67Å; Q191-P214 HydrophobicContact CG-CG 4.26Å; Q191-N216 HydrophobicContact CB-CB 3.98Å; Q191-N216 PolarHBondContact O-N 3.1Å
192	K	89	Confident	86.8	Confident	100 Å²	100	37.9 Å²	37.9	44%	0.435	18%	0.178	S	C	.	.			trans	-153.4	151.4	-177.9	61.6	179.3	178	176.7	0	113.3	I190 D220 L221	I190-K192 WeakPolarHBondContact CG2-O 3.34Å; K192-D220 HydrophobicContact CD-CB 3.7Å; K192-D220 WeakPolarHBondContact CD-OD2 3.21Å; K192-D220 WeakPolarHBondContact CE-OD2 3.1Å; K192-D220 IonicContact NZ-OD2 2.87Å; K192-D220 PolarHBondContact NZ-OD2 2.87Å; K192-L221 HydrophobicContact CB-CD1 4.09Å
193	L	89.7	Confident	86.1	Confident	4 Å²	4	40 Å²	40	2%	0.021	20%	0.201	C	C	.	.			trans	-121.7	114.6	170.1	-69.1	175	0	0	0	109.2	L170 I185 I190 V198 L199 L210 W215 L224	L170-L193 HydrophobicContact CD1-CD2 3.81Å; L170-L193 HydrophobicContact CG-CD2 4.35Å; I185-L193 HydrophobicContact CD1-CD1 4.25Å; I190-L193 HydrophobicContact CG2-CD2 4.02Å; I190-L193 HydrophobicContact CG2-CG 4.25Å; L193-V198 HydrophobicContact CD2-CG1 4.32Å; L193-L199 HydrophobicContact CB-CD1 4.26Å; L193-L199 HydrophobicContact CB-CD2 4.14Å; L193-L199 HydrophobicContact CB-CG 4.25Å; L193-L199 HydrophobicContact CD1-CD2 4.13Å; L193-L210 HydrophobicContact CD1-CD2 4.16Å; L193-W215 HydrophobicContact CD1-CH2 3.68Å; L193-W215 HydrophobicContact CD1-CZ3 4.22Å; L193-W215 HydrophobicContact CG-CH2 3.79Å; L193-W215 HydrophobicContact CG-CZ3 3.9Å; L193-L224 HydrophobicContact CB-CD1 4.36Å; L193-L224 HydrophobicContact CB-CD2 4.36Å; L193-L224 HydrophobicContact CD1-CD1 4.06Å; L193-L224 HydrophobicContact CD1-CD2 4.22Å
194	P	85.4	Confident	85.3	Confident	47 Å²	47	48.9 Å²	48.9	31%	0.305	23%	0.234	S	C	.	.			trans	-72.7	151.2	176.1	31.3	-34.4	0	0	0	110.9	V198 L199	P194-V198 HydrophobicContact CG-CB 4.31Å; P194-V198 HydrophobicContact CG-CG2 3.91Å; P194-L199 WeakPolarHBondContact O-CG 3.36Å; P194-L199 PolarHBondContact O-N 3.12Å
195	Y	83.2	Confident	85	Confident	78 Å²	78	48.9 Å²	48.9	31%	0.306	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-56.6	175.1	179	-87.4	0	0	0	111.8	G197 V198 L199 E200	Y195-G197 PolarHBondContact O-N 3.06Å; Y195-V198 PolarHBondContact O-N 2.86Å; Y195-L199 HydrophobicContact CD2-CB 4.18Å; Y195-L199 PolarHBondContact O-N 3.09Å; Y195-L199 VanDerWaalsContact O-N 3.17Å; Y195-E200 HydrophobicContact CE1-CB 4.22Å; Y195-E200 WeakPolarHBondContact O-CB 3.34Å; Y195-E200 PolarHBondContact O-N 3.18Å
196	I	80.5	Confident	84.2	Confident	134 Å²	134	50 Å²	50	69%	0.687	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	129.1	176	-75.6	173.5	0	0	0	109.7	V198	I196-V198 PolarHBondContact O-N 3.2Å
197	G	79.7	Confident	83.8	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	-12.9	174.9	0	0	0	0	0	116.2	N173 Y195 E200	N173-G197 WeakPolarHBondContact CA-O 3.26Å; N173-G197 PolarHBondContact N-O 3.2Å; Y195-G197 PolarHBondContact O-N 3.06Å; G197-E200 PolarHBondContact N-OE2 3.26Å; G197-E200 VanDerWaalsContact N-OE2 3.14Å
198	V	86.2	Confident	83.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-78.9	173.8	-175.6	0	0	0	0	110.6	L170 F175 L193 P194 Y195 I196 E200 H201 I202	L170-V198 HydrophobicContact CB-CG2 4.41Å; L170-V198 HydrophobicContact CD1-CG1 4.22Å; F175-V198 HydrophobicContact CD2-CG1 4.3Å; F175-V198 HydrophobicContact CE2-CG1 4.16Å; L193-V198 HydrophobicContact CD2-CG1 4.32Å; P194-V198 HydrophobicContact CG-CB 4.31Å; P194-V198 HydrophobicContact CG-CG2 3.91Å; Y195-V198 PolarHBondContact O-N 2.86Å; I196-V198 PolarHBondContact O-N 3.2Å; V198-E200 PolarHBondContact O-N 2.85Å; V198-H201 PolarHBondContact O-N 3.28Å; V198-I202 HydrophobicContact CG1-CD1 3.9Å; V198-I202 WeakPolarHBondContact O-CG1 3.34Å
199	L	85.4	Confident	83.5	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-64.4	-26.3	-172.5	-56.7	166.6	0	0	0	114	L193 P194 Y195 H201 I202 L224 W227	L193-L199 HydrophobicContact CB-CD1 4.26Å; L193-L199 HydrophobicContact CB-CD2 4.14Å; L193-L199 HydrophobicContact CB-CG 4.25Å; L193-L199 HydrophobicContact CD1-CD2 4.13Å; P194-L199 WeakPolarHBondContact O-CG 3.36Å; P194-L199 PolarHBondContact O-N 3.12Å; Y195-L199 HydrophobicContact CD2-CB 4.18Å; Y195-L199 PolarHBondContact O-N 3.09Å; Y195-L199 VanDerWaalsContact O-N 3.17Å; L199-H201 PolarHBondContact O-N 2.93Å; L199-I202 HydrophobicContact CD2-CD1 4.36Å; L199-I202 PolarHBondContact O-N 2.68Å; L199-I202 VanDerWaalsContact O-N 3.17Å; L199-L224 HydrophobicContact CD1-CB 4.09Å; L199-L224 HydrophobicContact CD1-CD1 3.91Å; L199-L224 HydrophobicContact CD2-CD1 3.81Å; L199-W227 HydrophobicContact CB-CD2 4.44Å; L199-W227 HydrophobicContact CB-CG 4.05Å; L199-W227 HydrophobicContact CD1-CB 4.13Å; L199-W227 HydrophobicContact CD1-CG 4.24Å; L199-W227 HydrophobicContact CD2-CD2 4.21Å; L199-W227 HydrophobicContact CD2-CG 4.46Å; L199-W227 HydrophobicContact CG-CG 4.5Å; L199-W227 PolarHBondContact O-NE1 2.85Å
200	E	84.4	Confident	83.4	Confident	97 Å²	97	44.8 Å²	44.8	45%	0.453	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-48.9	-39.9	169.8	178.4	-177.7	-152.8	0	0	112.8	Y195 G197 V198	Y195-E200 HydrophobicContact CE1-CB 4.22Å; Y195-E200 WeakPolarHBondContact O-CB 3.34Å; Y195-E200 PolarHBondContact O-N 3.18Å; G197-E200 PolarHBondContact N-OE2 3.26Å; G197-E200 VanDerWaalsContact N-OE2 3.14Å; V198-E200 PolarHBondContact O-N 2.85Å
201	H	83.4	Confident	83	Confident	53 Å²	53	47 Å²	47	25%	0.245	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-91.9	-4.8	-175.2	-55.2	-72.4	0	0	0	113.2	F175 V198 L199	F175-H201 HydrophobicContact CB-CB 4.09Å; V198-H201 PolarHBondContact O-N 3.28Å; L199-H201 PolarHBondContact O-N 2.93Å
202	I	81.6	Confident	82.8	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.021	23%	0.23	C	C	.	.			trans	-95.8	0.3	-173.4	-59.9	176.2	0	0	0	111.7	F175 L183 V198 L199 R204 V205 W227	F175-I202 HydrophobicContact CD2-CD1 3.76Å; F175-I202 HydrophobicContact CD2-CG1 3.9Å; F175-I202 HydrophobicContact CE2-CD1 3.85Å; F175-I202 HydrophobicContact CE2-CG1 4.43Å; L183-I202 HydrophobicContact CD2-CD1 4.14Å; V198-I202 HydrophobicContact CG1-CD1 3.9Å; V198-I202 WeakPolarHBondContact O-CG1 3.34Å; L199-I202 HydrophobicContact CD2-CD1 4.36Å; L199-I202 PolarHBondContact O-N 2.68Å; L199-I202 VanDerWaalsContact O-N 3.17Å; I202-R204 PolarHBondContact O-N 3.41Å; I202-V205 HydrophobicContact CG2-CB 4.14Å; I202-V205 HydrophobicContact CG2-CG2 3.65Å; I202-V205 PolarHBondContact O-N 2.82Å; I202-V205 VanDerWaalsContact O-N 3.15Å; I202-W227 HydrophobicContact CB-CZ2 4.05Å; I202-W227 HydrophobicContact CG2-CH2 4.08Å; I202-W227 HydrophobicContact CG2-CZ2 3.67Å
203	G	69.9	Low	82.7	Confident	49 Å²	49	42 Å²	42	51%	0.505	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	17.6	-175.1	0	0	0	0	0	118.2
204	R	74.2	Confident	82.7	Confident	191 Å²	191	42.5 Å²	42.5	72%	0.721	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129	8.8	175	-68.9	-177.4	174.9	170.7	-1.9	113.6	I202	I202-R204 PolarHBondContact O-N 3.41Å
205	V	79.9	Confident	82.9	Confident	6 Å²	6	40.3 Å²	40.3	4%	0.036	20%	0.2	C	C	.	.			trans	-73.9	139.2	-178.9	167.6	0	0	0	0	111.7	L180 T181 I202 E207 L208 I235	L180-V205 HydrophobicContact CB-CG2 4.25Å; L180-V205 WeakPolarHBondContact O-CG2 3.31Å; T181-V205 CarbonylContact O-C 3.12Å; T181-V205 WeakPolarHBondContact O-CA 3.4Å; T181-V205 WeakPolarHBondContact O-CG1 3.3Å; I202-V205 HydrophobicContact CG2-CB 4.14Å; I202-V205 HydrophobicContact CG2-CG2 3.65Å; I202-V205 PolarHBondContact O-N 2.82Å; I202-V205 VanDerWaalsContact O-N 3.15Å; V205-E207 WeakPolarHBondContact CG1-O 3.45Å; V205-L208 HydrophobicContact CG1-CB 3.84Å; V205-I235 WeakPolarHBondContact O-CD1 3.29Å; V205-I235 WeakPolarHBondContact O-CG2 3.06Å
206	V	76.6	Confident	83.2	Confident	24 Å²	24	38.6 Å²	38.6	15%	0.145	20%	0.196	C	C	.	.	S	Bend	trans	-99.1	-34.4	174	-171.6	0	0	0	0	110.4	T181 I235 Y236 E830 L834	T181-V206 PolarHBondContact O-N 3.03Å; V206-I235 WeakPolarHBondContact O-CA 3.32Å; V206-I235 VanDerWaalsContact O-CG2 3.3Å; V206-I235 WeakPolarHBondContact O-CG2 3.45Å; V206-Y236 PolarHBondContact O-N 2.85Å; V206-E830 WeakPolarHBondContact CG1-OE2 3.31Å; V206-L834 HydrophobicContact CG2-CD1 3.78Å
207	E	78.6	Confident	83.6	Confident	37 Å²	37	32.2 Å²	32.2	17%	0.173	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	117.8	175.3	-167.4	174.5	-142.3	0	0	112.4	T181 H182 L183 V205 Q209 Y236	T181-E207 PolarHBondContact O-N 2.92Å; H182-E207 WeakPolarHBondContact CA-O 3.37Å; H182-E207 VanDerWaalsContact CD2-CB 3.49Å; H182-E207 WeakPolarHBondContact CD2-CB 3.33Å; H182-E207 IonicContact CD2-OE2 2.71Å; H182-E207 PolarHBondContact CD2-OE2 3.13Å; L183-E207 PolarHBondContact N-O 3.36Å; V205-E207 WeakPolarHBondContact CG1-O 3.45Å; E207-Q209 HydrophobicContact CG-CG 4.03Å; E207-Q209 PolarHBondContact OE1-NE2 3.33Å; E207-Y236 WeakPolarHBondContact CA-O 3.49Å; E207-Y236 HydrophobicContact CG-CD1 3.8Å; E207-Y236 HydrophobicContact CG-CG 4.41Å
208	L	87.6	Confident	83.9	Confident	2 Å²	2	34 Å²	34	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	110.4	175.7	179.8	63.2	0	0	0	110.9	L183 V205 L210 W227 Y236 I237 G238	L183-L208 HydrophobicContact CB-CD1 3.86Å; L183-L208 HydrophobicContact CD2-CD1 3.78Å; L183-L208 HydrophobicContact CG-CD1 3.87Å; L183-L208 WeakPolarHBondContact O-CA 3.4Å; V205-L208 HydrophobicContact CG1-CB 3.84Å; L208-L210 HydrophobicContact CD1-CD2 3.96Å; L208-L210 HydrophobicContact CD2-CD1 4.16Å; L208-L210 HydrophobicContact CD2-CD2 4Å; L208-L210 HydrophobicContact CD2-CG 4.2Å; L208-L210 HydrophobicContact CG-CD1 4.44Å; L208-L210 HydrophobicContact CG-CD2 3.77Å; L208-L210 HydrophobicContact CG-CG 3.96Å; L208-W227 HydrophobicContact CD2-CH2 3.39Å; L208-W227 HydrophobicContact CD2-CZ2 4.45Å; L208-W227 HydrophobicContact CD2-CZ3 3.48Å; L208-W227 VanDerWaalsContact CD2-CZ3 3.48Å; L208-Y236 PolarHBondContact N-O 3.31Å; L208-I237 HydrophobicContact CB-CG2 4.39Å; L208-I237 HydrophobicContact CD2-CG2 4.46Å; L208-I237 CarbonylContact O-C 3.42Å; L208-I237 VanDerWaalsContact O-CA 3.29Å; L208-I237 WeakPolarHBondContact O-CA 3.45Å; L208-G238 PolarHBondContact O-N 3.47Å
209	Q	84.6	Confident	83.9	Confident	15 Å²	15	36.9 Å²	36.9	7%	0.07	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	112	-175.2	-59.2	179.1	-15.2	0	0	111	L183 D184 I185 R186 E207 Y236	L183-Q209 PolarHBondContact O-N 2.97Å; D184-Q209 HydrophobicContact CB-CB 4.34Å; D184-Q209 PolarHBondContact OD2-OE1 3.12Å; I185-Q209 WeakPolarHBondContact CG1-O 3.49Å; I185-Q209 PolarHBondContact N-O 3.23Å; R186-Q209 HydrophobicContact CG-CB 3.78Å; R186-Q209 VanDerWaalsContact NE-OE1 3.11Å; E207-Q209 HydrophobicContact CG-CG 4.03Å; E207-Q209 PolarHBondContact OE1-NE2 3.33Å; Q209-Y236 HydrophobicContact CG-CD1 4.45Å; Q209-Y236 HydrophobicContact CG-CE1 4.17Å
210	L	90	Very high	83.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.216	C	C	.	.			trans	-111.3	3	-170.6	-60.1	-178.1	0	0	0	114.6	I185 L193 L208 W215 L224 L228 I237 A240	I185-L210 HydrophobicContact CD1-CD2 3.75Å; I185-L210 HydrophobicContact CG1-CD2 4.07Å; L193-L210 HydrophobicContact CD1-CD2 4.16Å; L208-L210 HydrophobicContact CD1-CD2 3.96Å; L208-L210 HydrophobicContact CD2-CD1 4.16Å; L208-L210 HydrophobicContact CD2-CD2 4Å; L208-L210 HydrophobicContact CD2-CG 4.2Å; L208-L210 HydrophobicContact CG-CD1 4.44Å; L208-L210 HydrophobicContact CG-CD2 3.77Å; L208-L210 HydrophobicContact CG-CG 3.96Å; L210-W215 HydrophobicContact CB-CZ2 4.01Å; L210-W215 HydrophobicContact CD2-CH2 4.48Å; L210-W215 HydrophobicContact CD2-CZ2 4.18Å; L210-W215 PolarHBondContact O-NE1 3.23Å; L210-L224 HydrophobicContact CD1-CD1 4.43Å; L210-L228 HydrophobicContact CD1-CD2 4.18Å; L210-I237 HydrophobicContact CD1-CG2 4.09Å; L210-A240 HydrophobicContact CB-CB 4.1Å; L210-A240 HydrophobicContact CD1-CB 4.18Å
211	E	83.8	Confident	84.1	Confident	45 Å²	45	36.1 Å²	36.1	21%	0.21	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	165	-172.1	-59.6	157.4	171.4	0	0	111.9	R186 G187 N213 G238 E239	R186-E211 VanDerWaalsContact CA-O 3.25Å; R186-E211 WeakPolarHBondContact CA-O 3.1Å; R186-E211 WeakPolarHBondContact CD-OE2 3.23Å; R186-E211 HydrophobicContact CG-CB 3.89Å; R186-E211 IonicContact NH1-OE2 3.47Å; G187-E211 PolarHBondContact N-O 3.37Å; E211-N213 PolarHBondContact O-N 2.88Å; E211-N213 PolarHBondContact O-ND2 3.06Å; E211-G238 WeakPolarHBondContact OE1-CA 3.44Å; E211-E239 VanDerWaalsContact CG-N 3.34Å; E211-E239 PolarHBondContact OE1-N 3.39Å
212	D	84.2	Confident	84.2	Confident	88 Å²	88	36.1 Å²	36.1	47%	0.471	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	29.9	173	-70.5	-53.9	0	0	0	115.7	G187 K815	G187-D212 CarbonylContact C-O 3.15Å; G187-D212 VanDerWaalsContact CA-O 3.27Å; G187-D212 WeakPolarHBondContact CA-O 3.1Å; G187-D212 PolarHBondContact N-O 3.42Å; D212-K815 IonicContact OD1-NZ 3.73Å; D212-K815 PolarHBondContact OD1-NZ 3.33Å; D212-K815 WeakPolarHBondContact OD2-CE 3.23Å; D212-K815 IonicContact OD2-NZ 2.67Å; D212-K815 PolarHBondContact OD2-NZ 3.32Å
213	N	88.6	Confident	84.5	Confident	7 Å²	7	38.2 Å²	38.2	4%	0.037	21%	0.209	C	C	.	.			trans	-111.5	145.2	173	-85	-93.2	0	0	0	110.7	I185 N188 I190 E211 W215	I185-N213 PolarHBondContact O-ND2 3.36Å; N188-N213 WeakPolarHBondContact CA-OD1 3.46Å; N188-N213 WeakPolarHBondContact CB-OD1 3.44Å; N188-N213 PolarHBondContact O-OD1 3.47Å; I190-N213 WeakPolarHBondContact CB-OD1 3.48Å; I190-N213 PolarHBondContact N-OD1 3.3Å; I190-N213 VanDerWaalsContact N-OD1 3.08Å; E211-N213 PolarHBondContact O-N 2.88Å; E211-N213 PolarHBondContact O-ND2 3.06Å; N213-W215 HydrophobicContact CB-CD2 4.31Å; N213-W215 HydrophobicContact CB-CZ2 3.87Å; N213-W215 PolarHBondContact O-N 2.91Å
214	P	88.2	Confident	85.4	Confident	13 Å²	13	35.9 Å²	35.9	8%	0.084	19%	0.185	C	C	.	.			trans	-78.7	63.5	-175.7	34.6	-38.9	0	0	0	112	N188 R189 Q191 N216 E243	N188-P214 VanDerWaalsContact O-CD 3.31Å; N188-P214 WeakPolarHBondContact O-CD 3.2Å; R189-P214 HydrophobicContact CB-CG 4.48Å; Q191-P214 HydrophobicContact CG-CG 4.26Å; P214-N216 PolarHBondContact O-N 3.4Å; P214-E243 WeakPolarHBondContact CA-OE2 3.44Å; P214-E243 HydrophobicContact CB-CB 4.28Å; P214-E243 VanDerWaalsContact CB-OE2 3.26Å; P214-E243 WeakPolarHBondContact CB-OE2 3.37Å
215	W	91.3	Very high	86	Confident	1 Å²	1	27 Å²	27	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	125.5	-172.4	-65.4	108.3	0	0	0	112.3	I190 L193 L210 N213 C217 L221 L224 A240 I241 E243 T244	I190-W215 HydrophobicContact CB-CH2 4.34Å; I190-W215 HydrophobicContact CG2-CH2 3.79Å; I190-W215 HydrophobicContact CG2-CZ3 3.73Å; L193-W215 HydrophobicContact CD1-CH2 3.68Å; L193-W215 HydrophobicContact CD1-CZ3 4.22Å; L193-W215 HydrophobicContact CG-CH2 3.79Å; L193-W215 HydrophobicContact CG-CZ3 3.9Å; L210-W215 HydrophobicContact CB-CZ2 4.01Å; L210-W215 HydrophobicContact CD2-CH2 4.48Å; L210-W215 HydrophobicContact CD2-CZ2 4.18Å; L210-W215 PolarHBondContact O-NE1 3.23Å; N213-W215 HydrophobicContact CB-CD2 4.31Å; N213-W215 HydrophobicContact CB-CZ2 3.87Å; N213-W215 PolarHBondContact O-N 2.91Å; W215-C217 PolarHBondContact O-N 2.84Å; W215-L221 HydrophobicContact CB-CD2 4.05Å; W215-L221 HydrophobicContact CE3-CD1 3.79Å; W215-L221 HydrophobicContact CE3-CD2 4.36Å; W215-L221 HydrophobicContact CZ3-CD1 4.17Å; W215-L224 HydrophobicContact CE3-CD2 4.1Å; W215-L224 HydrophobicContact CH2-CD2 4.08Å; W215-L224 HydrophobicContact CZ3-CD2 3.78Å; W215-A240 HydrophobicContact CG-CB 4.5Å; W215-I241 WeakPolarHBondContact CB-O 3.35Å; W215-I241 VanDerWaalsContact CD1-O 3.31Å; W215-E243 PolarHBondContact O-N 3.06Å; W215-T244 PolarHBondContact O-N 3.19Å; W215-T244 VanDerWaalsContact O-N 3.12Å
216	N	89.2	Confident	86.3	Confident	42 Å²	42	28.2 Å²	28.2	23%	0.225	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	90.2	176.5	-180	-16.1	0	0	0	109.3	Q191 P214 S218 L221 T244	Q191-N216 HydrophobicContact CB-CB 3.98Å; Q191-N216 PolarHBondContact O-N 3.1Å; P214-N216 PolarHBondContact O-N 3.4Å; N216-S218 PolarHBondContact O-N 3.08Å; N216-S218 WeakPolarHBondContact OD1-CB 3.44Å; N216-S218 PolarHBondContact OD1-OG 3.3Å; N216-L221 WeakPolarHBondContact O-CB 3.25Å; N216-T244 CarbonylContact C-O 3.54Å; N216-T244 WeakPolarHBondContact CA-OG1 3.4Å; N216-T244 WeakPolarHBondContact CB-OG1 3.15Å
217	C	87.7	Confident	86.8	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.007	16%	0.159	C	C	.	.			trans	-72.9	65.2	178.2	-68.2	0	0	0	0	112	W215 L221 C242 T244 P245 L248 L261	W215-C217 PolarHBondContact O-N 2.84Å; C217-L221 HydrophobicContact CB-CD2 4.39Å; C217-C242 HydrophobicContact CB-CB 3.74Å; C217-C242 WeakPolarHBondContact CB-SG 3.3Å; C217-C242 VanDerWaalsContact SG-CA 3.52Å; C217-C242 WeakPolarHBondContact SG-CB 3.32Å; C217-C242 CovalentContact SG-SG 2.02Å; C217-C242 PolarHBondContact SG-SG 3.44Å; C217-T244 WeakPolarHBondContact CB-O 3.45Å; C217-T244 PolarHBondContact N-O 3.23Å; C217-P245 VanDerWaalsContact O-CD 3.23Å; C217-P245 WeakPolarHBondContact O-CD 3.34Å; C217-L248 HydrophobicContact CB-CB 4.38Å; C217-L248 HydrophobicContact CB-CD1 4.03Å; C217-L248 WeakPolarHBondContact O-CD1 3.35Å; C217-L261 VanDerWaalsContact C-CD2 3.43Å; C217-L261 HydrophobicContact CB-CD2 3.59Å; C217-L261 WeakPolarHBondContact O-CD2 3.44Å
218	S	87.3	Confident	87.1	Confident	37 Å²	37	26.4 Å²	26.4	26%	0.259	15%	0.152	S	C	.	.	S	Bend	trans	-116.5	-172.8	166.3	56.5	0	0	0	0	109.8	N216 D220 L221 L261	N216-S218 PolarHBondContact O-N 3.08Å; N216-S218 WeakPolarHBondContact OD1-CB 3.44Å; N216-S218 PolarHBondContact OD1-OG 3.3Å; S218-D220 PolarHBondContact O-N 3.34Å; S218-D220 VanDerWaalsContact O-N 3.08Å; S218-L221 PolarHBondContact O-N 3.22Å; S218-L261 CarbonylContact C-O 3.53Å
219	C	85.6	Confident	86.8	Confident	61 Å²	61	30.4 Å²	30.4	41%	0.412	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-51.3	-33.4	179.1	-75.4	0	0	0	0	114.4	L221 L222 L261 C262	C219-L221 PolarHBondContact O-N 2.89Å; C219-L221 VanDerWaalsContact O-N 3.1Å; C219-L222 WeakPolarHBondContact O-CB 3.49Å; C219-L222 PolarHBondContact O-N 3.29Å; C219-L222 VanDerWaalsContact O-N 3.1Å; C219-L261 PolarHBondContact N-O 2.75Å; C219-C262 WeakPolarHBondContact CA-SG 3.49Å; C219-C262 WeakPolarHBondContact CB-SG 3.02Å; C219-C262 WeakPolarHBondContact SG-CA 3.22Å; C219-C262 WeakPolarHBondContact SG-CB 3.28Å; C219-C262 CovalentContact SG-SG 2.04Å; C219-C262 PolarHBondContact SG-SG 2.02Å
220	D	84.1	Confident	86.6	Confident	82 Å²	82	36.2 Å²	36.2	44%	0.439	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-59.4	-20.4	178.1	-82	15.6	0	0	0	114	K192 S218 P223	K192-D220 HydrophobicContact CD-CB 3.7Å; K192-D220 WeakPolarHBondContact CD-OD2 3.21Å; K192-D220 WeakPolarHBondContact CE-OD2 3.1Å; K192-D220 IonicContact NZ-OD2 2.87Å; K192-D220 PolarHBondContact NZ-OD2 2.87Å; S218-D220 PolarHBondContact O-N 3.34Å; S218-D220 VanDerWaalsContact O-N 3.08Å; D220-P223 WeakPolarHBondContact O-CD 3.35Å
221	L	89.3	Confident	85.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-101.1	-5.1	-178.8	-154.1	62.8	0	0	0	113.6	K192 W215 N216 C217 S218 C219 P223 L224 K225 L253	K192-L221 HydrophobicContact CB-CD1 4.09Å; W215-L221 HydrophobicContact CB-CD2 4.05Å; W215-L221 HydrophobicContact CE3-CD1 3.79Å; W215-L221 HydrophobicContact CE3-CD2 4.36Å; W215-L221 HydrophobicContact CZ3-CD1 4.17Å; N216-L221 WeakPolarHBondContact O-CB 3.25Å; C217-L221 HydrophobicContact CB-CD2 4.39Å; S218-L221 PolarHBondContact O-N 3.22Å; C219-L221 PolarHBondContact O-N 2.89Å; C219-L221 VanDerWaalsContact O-N 3.1Å; L221-P223 VanDerWaalsContact C-N 3.3Å; L221-L224 HydrophobicContact CD1-CB 4.04Å; L221-L224 HydrophobicContact CD1-CD2 3.73Å; L221-L224 HydrophobicContact CG-CB 4.37Å; L221-L224 HydrophobicContact CG-CD2 4.35Å; L221-L224 PolarHBondContact O-N 3.25Å; L221-K225 PolarHBondContact O-N 3.2Å; L221-L253 HydrophobicContact CD1-CD2 4.5Å; L221-L253 HydrophobicContact CD2-CD1 3.78Å; L221-L253 HydrophobicContact CD2-CD2 3.8Å; L221-L253 HydrophobicContact CD2-CG 4.37Å; L221-L253 HydrophobicContact CG-CD1 4.02Å; L221-L253 HydrophobicContact CG-CD2 3.78Å
222	L	86.9	Confident	85.1	Confident	54 Å²	54	38.9 Å²	38.9	28%	0.283	22%	0.221	S	C	.	.	H	α-helix	trans	-53.2	-37.4	172.9	-175.8	63.1	0	0	0	113.8	C219 K225 A226 K258 L261	C219-L222 WeakPolarHBondContact O-CB 3.49Å; C219-L222 PolarHBondContact O-N 3.29Å; C219-L222 VanDerWaalsContact O-N 3.1Å; L222-K225 PolarHBondContact O-N 2.67Å; L222-A226 PolarHBondContact O-N 2.67Å; L222-K258 HydrophobicContact CD1-CB 3.88Å; L222-K258 HydrophobicContact CD1-CD 4.06Å; L222-K258 HydrophobicContact CD1-CG 3.67Å; L222-L261 HydrophobicContact CD1-CD1 4.35Å
223	P	87.3	Confident	83.8	Confident	47 Å²	47	45.8 Å²	45.8	31%	0.305	24%	0.242	S	C	.	.	H	α-helix	trans	-67.7	-37.6	177.8	-17.3	31.3	0	0	0	112.8	D220 L221 A226 W227	D220-P223 WeakPolarHBondContact O-CD 3.35Å; L221-P223 VanDerWaalsContact C-N 3.3Å; P223-A226 PolarHBondContact O-N 2.04Å; P223-W227 WeakPolarHBondContact O-CB 3.41Å; P223-W227 PolarHBondContact O-N 3.03Å
224	L	89.2	Confident	82.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.2	-43.4	173.1	179.3	61.4	0	0	0	110.9	L193 L199 L210 W215 L221 A226 W227 L228 L253	L193-L224 HydrophobicContact CB-CD1 4.36Å; L193-L224 HydrophobicContact CB-CD2 4.36Å; L193-L224 HydrophobicContact CD1-CD1 4.06Å; L193-L224 HydrophobicContact CD1-CD2 4.22Å; L199-L224 HydrophobicContact CD1-CB 4.09Å; L199-L224 HydrophobicContact CD1-CD1 3.91Å; L199-L224 HydrophobicContact CD2-CD1 3.81Å; L210-L224 HydrophobicContact CD1-CD1 4.43Å; W215-L224 HydrophobicContact CE3-CD2 4.1Å; W215-L224 HydrophobicContact CH2-CD2 4.08Å; W215-L224 HydrophobicContact CZ3-CD2 3.78Å; L221-L224 HydrophobicContact CD1-CB 4.04Å; L221-L224 HydrophobicContact CD1-CD2 3.73Å; L221-L224 HydrophobicContact CG-CB 4.37Å; L221-L224 HydrophobicContact CG-CD2 4.35Å; L221-L224 PolarHBondContact O-N 3.25Å; L224-A226 PolarHBondContact O-N 2.91Å; L224-W227 HydrophobicContact CD1-CE3 4.5Å; L224-W227 PolarHBondContact O-N 3.1Å; L224-L228 HydrophobicContact CD1-CD1 4.26Å; L224-L228 HydrophobicContact CD1-CG 4.21Å; L224-L228 HydrophobicContact CG-CD1 3.99Å; L224-L228 HydrophobicContact CG-CG 4.39Å; L224-L228 WeakPolarHBondContact O-CB 3.32Å; L224-L228 VanDerWaalsContact O-CG 3.27Å; L224-L228 WeakPolarHBondContact O-CG 3.49Å; L224-L228 PolarHBondContact O-N 3.49Å; L224-L253 HydrophobicContact CB-CD2 4.21Å; L224-L253 HydrophobicContact CD2-CD2 3.65Å; L224-L253 HydrophobicContact CG-CD2 3.75Å
225	K	86.6	Confident	81.4	Confident	6 Å²	6	51.3 Å²	51.3	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-57.6	-50.2	174.8	-178.4	-178.2	175.8	-68.1	0	111.8	L221 L222 W227 L228 E229 L253 T256 K258 L261	L221-K225 PolarHBondContact O-N 3.2Å; L222-K225 PolarHBondContact O-N 2.67Å; K225-W227 VanDerWaalsContact C-N 3.26Å; K225-W227 PolarHBondContact O-N 3.28Å; K225-L228 PolarHBondContact O-N 3.03Å; K225-L228 VanDerWaalsContact O-N 3.15Å; K225-E229 IonicContact NZ-OE1 2.72Å; K225-E229 PolarHBondContact NZ-OE1 3.44Å; K225-E229 IonicContact NZ-OE2 2.67Å; K225-E229 PolarHBondContact NZ-OE2 3.1Å; K225-E229 WeakPolarHBondContact O-CG 3.47Å; K225-E229 PolarHBondContact O-N 3.34Å; K225-L253 HydrophobicContact CB-CD1 4.07Å; K225-L253 HydrophobicContact CB-CG 4.18Å; K225-T256 WeakPolarHBondContact CE-O 2.98Å; K225-K258 HydrophobicContact CD-CG 4.44Å; K225-L261 HydrophobicContact CB-CD1 4.28Å; K225-L261 HydrophobicContact CD-CD1 3.57Å
226	A	85.4	Confident	80.4	Confident	31 Å²	31	57.1 Å²	57.1	26%	0.256	29%	0.293	S	S	.	.	H	α-helix	trans	-62.1	-34.8	-179.6	0	0	0	0	0	112.5	L222 P223 L224 N230	L222-A226 PolarHBondContact O-N 2.67Å; P223-A226 PolarHBondContact O-N 2.04Å; L224-A226 PolarHBondContact O-N 2.91Å; A226-N230 PolarHBondContact O-N 3.15Å; A226-N230 PolarHBondContact O-ND2 3Å; A226-N230 VanDerWaalsContact O-ND2 3.15Å
227	W	86.8	Confident	79.9	Confident	16 Å²	16	57.1 Å²	57.1	6%	0.061	29%	0.293	C	S	.	.	H	α-helix	trans	-66.2	-45	173	-172.7	97.1	0	0	0	111.8	L199 I202 L208 P223 L224 K225 E229 N230 M231 I237	L199-W227 HydrophobicContact CB-CD2 4.44Å; L199-W227 HydrophobicContact CB-CG 4.05Å; L199-W227 HydrophobicContact CD1-CB 4.13Å; L199-W227 HydrophobicContact CD1-CG 4.24Å; L199-W227 HydrophobicContact CD2-CD2 4.21Å; L199-W227 HydrophobicContact CD2-CG 4.46Å; L199-W227 HydrophobicContact CG-CG 4.5Å; L199-W227 PolarHBondContact O-NE1 2.85Å; I202-W227 HydrophobicContact CB-CZ2 4.05Å; I202-W227 HydrophobicContact CG2-CH2 4.08Å; I202-W227 HydrophobicContact CG2-CZ2 3.67Å; L208-W227 HydrophobicContact CD2-CH2 3.39Å; L208-W227 HydrophobicContact CD2-CZ2 4.45Å; L208-W227 HydrophobicContact CD2-CZ3 3.48Å; L208-W227 VanDerWaalsContact CD2-CZ3 3.48Å; P223-W227 WeakPolarHBondContact O-CB 3.41Å; P223-W227 PolarHBondContact O-N 3.03Å; L224-W227 HydrophobicContact CD1-CE3 4.5Å; L224-W227 PolarHBondContact O-N 3.1Å; K225-W227 VanDerWaalsContact C-N 3.26Å; K225-W227 PolarHBondContact O-N 3.28Å; W227-E229 VanDerWaalsContact C-N 3.27Å; W227-E229 PolarHBondContact O-N 3.38Å; W227-N230 PolarHBondContact O-N 2.98Å; W227-N230 VanDerWaalsContact O-N 3.17Å; W227-M231 HydrophobicContact CD2-CE 4.13Å; W227-M231 HydrophobicContact CD2-CG 4.29Å; W227-M231 VanDerWaalsContact CE2-CE 3.41Å; W227-M231 HydrophobicContact CE3-CG 4.12Å; W227-M231 HydrophobicContact CH2-CE 4.1Å; W227-M231 HydrophobicContact CH2-CG 4.09Å; W227-M231 HydrophobicContact CZ2-CE 3.43Å; W227-M231 VanDerWaalsContact CZ2-CE 3.43Å; W227-M231 HydrophobicContact CZ2-CG 4.32Å; W227-M231 HydrophobicContact CZ2-SD 4.47Å; W227-M231 HydrophobicContact CZ3-CG 4Å; W227-M231 PolarHBondContact O-N 3.21Å; W227-I237 HydrophobicContact CZ3-CD1 4.21Å
228	L	84.7	Confident	79.1	Confident	7 Å²	7	57.3 Å²	57.3	4%	0.037	30%	0.295	C	S	.	.	H	α-helix	trans	-66.4	-22.6	176.9	-69.7	171.2	0	0	0	114.4	L210 L224 K225 I237 L253 K254	L210-L228 HydrophobicContact CD1-CD2 4.18Å; L224-L228 HydrophobicContact CD1-CD1 4.26Å; L224-L228 HydrophobicContact CD1-CG 4.21Å; L224-L228 HydrophobicContact CG-CD1 3.99Å; L224-L228 HydrophobicContact CG-CG 4.39Å; L224-L228 WeakPolarHBondContact O-CB 3.32Å; L224-L228 VanDerWaalsContact O-CG 3.27Å; L224-L228 WeakPolarHBondContact O-CG 3.49Å; L224-L228 PolarHBondContact O-N 3.49Å; K225-L228 PolarHBondContact O-N 3.03Å; K225-L228 VanDerWaalsContact O-N 3.15Å; L228-I237 HydrophobicContact CD2-CD1 4.17Å; L228-I237 HydrophobicContact CD2-CG2 3.62Å; L228-L253 HydrophobicContact CD1-CD2 3.82Å; L228-L253 HydrophobicContact CD1-CG 4.33Å; L228-K254 PolarHBondContact O-NZ 3.23Å
229	E	82.4	Confident	78.8	Confident	85 Å²	85	58.8 Å²	58.8	40%	0.397	30%	0.298	S	S	.	.	H	α-helix	trans	-78.3	-30.5	173.3	-74.3	177	125.9	0	0	112.5	K225 W227	K225-E229 IonicContact NZ-OE1 2.72Å; K225-E229 PolarHBondContact NZ-OE1 3.44Å; K225-E229 IonicContact NZ-OE2 2.67Å; K225-E229 PolarHBondContact NZ-OE2 3.1Å; K225-E229 WeakPolarHBondContact O-CG 3.47Å; K225-E229 PolarHBondContact O-N 3.34Å; W227-E229 VanDerWaalsContact C-N 3.27Å; W227-E229 PolarHBondContact O-N 3.38Å
230	N	80.6	Confident	78.8	Confident	138 Å²	138	56 Å²	56	74%	0.738	28%	0.279	S	S	*	.	H	α-helix	trans	-91.8	-8.6	-175.9	-71.9	-30.5	0	0	0	114.4	A226 W227	A226-N230 PolarHBondContact O-N 3.15Å; A226-N230 PolarHBondContact O-ND2 3Å; A226-N230 VanDerWaalsContact O-ND2 3.15Å; W227-N230 PolarHBondContact O-N 2.98Å; W227-N230 VanDerWaalsContact O-N 3.17Å
231	M	74.7	Confident	78.8	Confident	34 Å²	34	56 Å²	56	17%	0.167	28%	0.278	C	S	.	.	S	Bend	trans	-80.5	137	-179.4	-77.7	-60.5	166.5	0	0	113.3	W227 I235 I237	W227-M231 HydrophobicContact CD2-CE 4.13Å; W227-M231 HydrophobicContact CD2-CG 4.29Å; W227-M231 VanDerWaalsContact CE2-CE 3.41Å; W227-M231 HydrophobicContact CE3-CG 4.12Å; W227-M231 HydrophobicContact CH2-CE 4.1Å; W227-M231 HydrophobicContact CH2-CG 4.09Å; W227-M231 HydrophobicContact CZ2-CE 3.43Å; W227-M231 VanDerWaalsContact CZ2-CE 3.43Å; W227-M231 HydrophobicContact CZ2-CG 4.32Å; W227-M231 HydrophobicContact CZ2-SD 4.47Å; W227-M231 HydrophobicContact CZ3-CG 4Å; W227-M231 PolarHBondContact O-N 3.21Å; M231-I235 HydrophobicContact CB-CD1 4.4Å; M231-I235 HydrophobicContact CG-CD1 4.49Å; M231-I235 HydrophobicContact SD-CD1 3.73Å; M231-I237 HydrophobicContact CB-CD1 3.9Å; M231-I237 HydrophobicContact CG-CD1 4.27Å
232	P	67.8	Low	78.5	Confident	66 Å²	66	56.1 Å²	56.1	43%	0.429	28%	0.279	S	S	.	.			trans	-71.2	152	-178	30.6	-37.6	0	0	0	113.3	N234 I235	P232-N234 WeakPolarHBondContact CB-OD1 3.28Å; P232-N234 WeakPolarHBondContact CG-OD1 3.17Å; P232-N234 PolarHBondContact O-N 3.45Å; P232-I235 HydrophobicContact CG-CD1 3.79Å; P232-I235 HydrophobicContact CG-CG1 4.2Å; P232-I235 PolarHBondContact O-N 2.92Å
233	Y	56.8	Low	78.3	Confident	234 Å²	234	58 Å²	58	92%	0.918	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-3.9	-170.6	-59.3	-85.2	0	0	0	116.1
234	N	59.1	Low	77.8	Confident	106 Å²	106	58.4 Å²	58.4	57%	0.567	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-3.4	177.9	66.8	-52.4	0	0	0	113.8	P232	P232-N234 WeakPolarHBondContact CB-OD1 3.28Å; P232-N234 WeakPolarHBondContact CG-OD1 3.17Å; P232-N234 PolarHBondContact O-N 3.45Å
235	I	67	Low	77.2	Confident	30 Å²	30	60.8 Å²	60.8	15%	0.154	30%	0.304	C	S	.	.	S	Bend	trans	-89.9	129.8	173.8	-59.5	173.7	0	0	0	108.2	V205 V206 M231 P232 I237	V205-I235 WeakPolarHBondContact O-CD1 3.29Å; V205-I235 WeakPolarHBondContact O-CG2 3.06Å; V206-I235 WeakPolarHBondContact O-CA 3.32Å; V206-I235 VanDerWaalsContact O-CG2 3.3Å; V206-I235 WeakPolarHBondContact O-CG2 3.45Å; M231-I235 HydrophobicContact CB-CD1 4.4Å; M231-I235 HydrophobicContact CG-CD1 4.49Å; M231-I235 HydrophobicContact SD-CD1 3.73Å; P232-I235 HydrophobicContact CG-CD1 3.79Å; P232-I235 HydrophobicContact CG-CG1 4.2Å; P232-I235 PolarHBondContact O-N 2.92Å; I235-I237 HydrophobicContact CB-CG1 4.33Å; I235-I237 HydrophobicContact CG2-CD1 4.05Å; I235-I237 HydrophobicContact CG2-CG1 3.63Å; I235-I237 PolarHBondContact O-N 2.84Å
236	Y	69.1	Low	76.6	Confident	123 Å²	123	65 Å²	65	48%	0.482	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	119.1	170.3	-176.4	-86	0	0	0	109.2	V206 E207 L208 Q209	V206-Y236 PolarHBondContact O-N 2.85Å; E207-Y236 WeakPolarHBondContact CA-O 3.49Å; E207-Y236 HydrophobicContact CG-CD1 3.8Å; E207-Y236 HydrophobicContact CG-CG 4.41Å; L208-Y236 PolarHBondContact N-O 3.31Å; Q209-Y236 HydrophobicContact CG-CD1 4.45Å; Q209-Y236 HydrophobicContact CG-CE1 4.17Å
237	I	79.3	Confident	76	Confident	42 Å²	42	69.5 Å²	69.5	22%	0.215	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.8	177.1	-49.8	178	0	0	0	109.1	L208 L210 W227 L228 M231 I235	L208-I237 HydrophobicContact CB-CG2 4.39Å; L208-I237 HydrophobicContact CD2-CG2 4.46Å; L208-I237 CarbonylContact O-C 3.42Å; L208-I237 VanDerWaalsContact O-CA 3.29Å; L208-I237 WeakPolarHBondContact O-CA 3.45Å; L210-I237 HydrophobicContact CD1-CG2 4.09Å; W227-I237 HydrophobicContact CZ3-CD1 4.21Å; L228-I237 HydrophobicContact CD2-CD1 4.17Å; L228-I237 HydrophobicContact CD2-CG2 3.62Å; M231-I237 HydrophobicContact CB-CD1 3.9Å; M231-I237 HydrophobicContact CG-CD1 4.27Å; I235-I237 HydrophobicContact CB-CG1 4.33Å; I235-I237 HydrophobicContact CG2-CD1 4.05Å; I235-I237 HydrophobicContact CG2-CG1 3.63Å; I235-I237 PolarHBondContact O-N 2.84Å
238	G	70.9	Confident	75.5	Confident	5 Å²	5	69.2 Å²	69.2	5%	0.052	35%	0.353	C	S	.	.			trans	-65.8	154.4	179.8	0	0	0	0	0	113	L208 E211 A240	L208-G238 PolarHBondContact O-N 3.47Å; E211-G238 WeakPolarHBondContact OE1-CA 3.44Å; G238-A240 PolarHBondContact O-N 3.48Å
239	E	80.7	Confident	75	Confident	67 Å²	67	76 Å²	76	31%	0.313	38%	0.379	S	S	.	.			trans	-76.9	106.3	-168.5	-69.5	-174.1	-160	0	0	112.8	E211 I241 L252 R429	E211-E239 VanDerWaalsContact CG-N 3.34Å; E211-E239 PolarHBondContact OE1-N 3.39Å; E239-I241 PolarHBondContact O-N 3.01Å; E239-L252 HydrophobicContact CB-CD1 3.78Å; E239-L252 HydrophobicContact CG-CD1 4.18Å; E239-R429 IonicContact OE1-NH1 2.69Å; E239-R429 PolarHBondContact OE1-NH1 3.34Å
240	A	86.6	Confident	74.4	Confident	3 Å²	3	73 Å²	73	3%	0.025	37%	0.371	C	S	.	.			trans	-80.3	95.1	176.8	0	0	0	0	0	111.9	L210 W215 G238 L253	L210-A240 HydrophobicContact CB-CB 4.1Å; L210-A240 HydrophobicContact CD1-CB 4.18Å; W215-A240 HydrophobicContact CG-CB 4.5Å; G238-A240 PolarHBondContact O-N 3.48Å; A240-L253 HydrophobicContact CB-CB 4.21Å; A240-L253 HydrophobicContact CB-CD2 4.45Å; A240-L253 WeakPolarHBondContact O-CB 3.03Å; A240-L253 PolarHBondContact O-N 3.49Å
241	I	82.9	Confident	73.9	Confident	82 Å²	82	68.9 Å²	68.9	42%	0.421	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-94.1	129.7	-176.3	-56.9	173.3	0	0	0	111.2	W215 E239 E243 R251	W215-I241 WeakPolarHBondContact CB-O 3.35Å; W215-I241 VanDerWaalsContact CD1-O 3.31Å; E239-I241 PolarHBondContact O-N 3.01Å; I241-E243 PolarHBondContact O-N 3.42Å; I241-R251 WeakPolarHBondContact CA-O 3.33Å
242	C	84.3	Confident	74.1	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.014	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	125.7	177	-58.5	0	0	0	0	112.7	C217 L248 Y249 G250 R251	C217-C242 HydrophobicContact CB-CB 3.74Å; C217-C242 WeakPolarHBondContact CB-SG 3.3Å; C217-C242 VanDerWaalsContact SG-CA 3.52Å; C217-C242 WeakPolarHBondContact SG-CB 3.32Å; C217-C242 CovalentContact SG-SG 2.02Å; C217-C242 PolarHBondContact SG-SG 3.44Å; C242-L248 HydrophobicContact CB-CB 4.4Å; C242-L248 WeakPolarHBondContact CB-O 3.43Å; C242-Y249 CarbonylContact O-C 3.55Å; C242-Y249 WeakPolarHBondContact O-CA 3Å; C242-G250 PolarHBondContact O-N 3.01Å; C242-R251 WeakPolarHBondContact CB-O 3.23Å; C242-R251 PolarHBondContact N-O 2.89Å; C242-R251 PolarHBondContact SG-O 2.9Å
243	E	82.6	Confident	74.8	Confident	93 Å²	93	65.6 Å²	65.6	44%	0.435	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-23.5	169	-165.2	179.4	136	0	0	111.9	P214 W215 I241 Y249	P214-E243 WeakPolarHBondContact CA-OE2 3.44Å; P214-E243 HydrophobicContact CB-CB 4.28Å; P214-E243 VanDerWaalsContact CB-OE2 3.26Å; P214-E243 WeakPolarHBondContact CB-OE2 3.37Å; W215-E243 PolarHBondContact O-N 3.06Å; I241-E243 PolarHBondContact O-N 3.42Å; E243-Y249 HydrophobicContact CG-CD2 4.44Å; E243-Y249 HydrophobicContact CG-CE2 4.03Å; E243-Y249 WeakPolarHBondContact O-CD2 3.32Å
244	T	76.6	Confident	75.8	Confident	57 Å²	57	59 Å²	59	35%	0.35	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	157	172.1	50	0	0	0	0	111	W215 N216 C217	W215-T244 PolarHBondContact O-N 3.19Å; W215-T244 VanDerWaalsContact O-N 3.12Å; N216-T244 CarbonylContact C-O 3.54Å; N216-T244 WeakPolarHBondContact CA-OG1 3.4Å; N216-T244 WeakPolarHBondContact CB-OG1 3.15Å; C217-T244 WeakPolarHBondContact CB-O 3.45Å; C217-T244 PolarHBondContact N-O 3.23Å
245	P	76.7	Confident	76.4	Confident	50 Å²	50	55.8 Å²	55.8	33%	0.325	28%	0.282	S	S	.	.	S	Bend	cis	-69.3	172.4	-11.8	33	-36.9	0	0	0	112.3	C217 D247 L248 Y249	C217-P245 VanDerWaalsContact O-CD 3.23Å; C217-P245 WeakPolarHBondContact O-CD 3.34Å; P245-D247 PolarHBondContact O-N 3.42Å; P245-D247 VanDerWaalsContact O-N 3.09Å; P245-L248 HydrophobicContact CG-CD1 4.39Å; P245-L248 HydrophobicContact CG-CG 4.43Å; P245-L248 PolarHBondContact O-N 2.94Å; P245-L248 VanDerWaalsContact O-N 3.12Å; P245-Y249 PolarHBondContact O-N 2.9Å
246	S	73	Confident	76.8	Confident	95 Å²	95	54.6 Å²	54.6	66%	0.664	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-48.1	-39	179.9	44.2	0	0	0	0	114	L248 Y249	S246-L248 PolarHBondContact O-N 3.32Å; S246-Y249 WeakPolarHBondContact O-CB 3.26Å; S246-Y249 PolarHBondContact O-N 3.48Å
247	D	73.7	Confident	77.3	Confident	125 Å²	125	52.1 Å²	52.1	67%	0.668	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-76.4	-14.3	-169.3	-44.7	-20.2	0	0	0	112.3	P245	P245-D247 PolarHBondContact O-N 3.42Å; P245-D247 VanDerWaalsContact O-N 3.09Å
248	L	75.6	Confident	77.3	Confident	10 Å²	10	54.5 Å²	54.5	5%	0.052	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-116	1.7	176.6	-58	179.3	0	0	0	112.8	C217 C242 P245 S246 G250 R251 E260 L261	C217-L248 HydrophobicContact CB-CB 4.38Å; C217-L248 HydrophobicContact CB-CD1 4.03Å; C217-L248 WeakPolarHBondContact O-CD1 3.35Å; C242-L248 HydrophobicContact CB-CB 4.4Å; C242-L248 WeakPolarHBondContact CB-O 3.43Å; P245-L248 HydrophobicContact CG-CD1 4.39Å; P245-L248 HydrophobicContact CG-CG 4.43Å; P245-L248 PolarHBondContact O-N 2.94Å; P245-L248 VanDerWaalsContact O-N 3.12Å; S246-L248 PolarHBondContact O-N 3.32Å; L248-G250 PolarHBondContact O-N 2.99Å; L248-R251 VanDerWaalsContact O-CB 3.28Å; L248-R251 WeakPolarHBondContact O-CB 3.42Å; L248-R251 VanDerWaalsContact O-CG 3.32Å; L248-R251 WeakPolarHBondContact O-CG 3.45Å; L248-R251 PolarHBondContact O-N 3.46Å; L248-R251 VanDerWaalsContact O-N 3.1Å; L248-E260 HydrophobicContact CD2-CB 4.16Å; L248-L261 HydrophobicContact CD1-CD2 4.27Å
249	Y	74.3	Confident	77.6	Confident	148 Å²	148	60.9 Å²	60.9	58%	0.58	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	133.1	178.6	-175.9	-83.2	0	0	0	111.8	C242 E243 P245 S246 R251	C242-Y249 CarbonylContact O-C 3.55Å; C242-Y249 WeakPolarHBondContact O-CA 3Å; E243-Y249 HydrophobicContact CG-CD2 4.44Å; E243-Y249 HydrophobicContact CG-CE2 4.03Å; E243-Y249 WeakPolarHBondContact O-CD2 3.32Å; P245-Y249 PolarHBondContact O-N 2.9Å; S246-Y249 WeakPolarHBondContact O-CB 3.26Å; S246-Y249 PolarHBondContact O-N 3.48Å; Y249-R251 VanDerWaalsContact C-N 3.25Å; Y249-R251 PolarHBondContact O-N 3.49Å
250	G	70.9	Confident	77.4	Confident	22 Å²	22	61.1 Å²	61.1	23%	0.227	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	4.8	178.7	0	0	0	0	0	115.3	C242 L248	C242-G250 PolarHBondContact O-N 3.01Å; L248-G250 PolarHBondContact O-N 2.99Å
251	R	69.7	Low	77.1	Confident	52 Å²	52	61.2 Å²	61.2	20%	0.196	31%	0.31	C	S	.	.			trans	-86.3	143.4	173.6	-61.5	-177.3	-178.1	-154.1	4.2	111.5	I241 C242 L248 Y249 T256 E260	I241-R251 WeakPolarHBondContact CA-O 3.33Å; C242-R251 WeakPolarHBondContact CB-O 3.23Å; C242-R251 PolarHBondContact N-O 2.89Å; C242-R251 PolarHBondContact SG-O 2.9Å; L248-R251 VanDerWaalsContact O-CB 3.28Å; L248-R251 WeakPolarHBondContact O-CB 3.42Å; L248-R251 VanDerWaalsContact O-CG 3.32Å; L248-R251 WeakPolarHBondContact O-CG 3.45Å; L248-R251 PolarHBondContact O-N 3.46Å; L248-R251 VanDerWaalsContact O-N 3.1Å; Y249-R251 VanDerWaalsContact C-N 3.25Å; Y249-R251 PolarHBondContact O-N 3.49Å; R251-T256 HydrophobicContact CB-CG2 4.23Å; R251-E260 IonicContact CZ-OE1 3.73Å; R251-E260 IonicContact NH1-OE1 3.57Å; R251-E260 PolarHBondContact NH1-OE1 2.86Å; R251-E260 IonicContact NH1-OE2 3.99Å; R251-E260 PolarHBondContact NH1-OE2 2.77Å; R251-E260 IonicContact NH2-OE1 3.94Å
252	L	78.2	Confident	77.1	Confident	31 Å²	31	58.4 Å²	58.4	16%	0.162	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-74.2	128.4	170.5	-177.4	60.3	0	0	0	110.2	E239 K254 E255 T256	E239-L252 HydrophobicContact CB-CD1 3.78Å; E239-L252 HydrophobicContact CG-CD1 4.18Å; L252-K254 VanDerWaalsContact C-N 3.28Å; L252-K254 HydrophobicContact CG-CB 4.4Å; L252-K254 PolarHBondContact O-N 2.7Å; L252-E255 HydrophobicContact CB-CB 4.36Å; L252-E255 HydrophobicContact CB-CG 4.17Å; L252-E255 HydrophobicContact CD2-CG 4.14Å; L252-E255 HydrophobicContact CG-CG 4.43Å; L252-E255 WeakPolarHBondContact O-CA 3.33Å; L252-E255 WeakPolarHBondContact O-CB 3.02Å; L252-E255 PolarHBondContact O-N 2.9Å; L252-T256 PolarHBondContact O-N 3.2Å
253	L	83.1	Confident	76.2	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-54	-42.2	-177.2	177.4	60.7	0	0	0	112.8	L221 L224 K225 L228 A240 E255 T256 L261	L221-L253 HydrophobicContact CD1-CD2 4.5Å; L221-L253 HydrophobicContact CD2-CD1 3.78Å; L221-L253 HydrophobicContact CD2-CD2 3.8Å; L221-L253 HydrophobicContact CD2-CG 4.37Å; L221-L253 HydrophobicContact CG-CD1 4.02Å; L221-L253 HydrophobicContact CG-CD2 3.78Å; L224-L253 HydrophobicContact CB-CD2 4.21Å; L224-L253 HydrophobicContact CD2-CD2 3.65Å; L224-L253 HydrophobicContact CG-CD2 3.75Å; K225-L253 HydrophobicContact CB-CD1 4.07Å; K225-L253 HydrophobicContact CB-CG 4.18Å; L228-L253 HydrophobicContact CD1-CD2 3.82Å; L228-L253 HydrophobicContact CD1-CG 4.33Å; A240-L253 HydrophobicContact CB-CB 4.21Å; A240-L253 HydrophobicContact CB-CD2 4.45Å; A240-L253 WeakPolarHBondContact O-CB 3.03Å; A240-L253 PolarHBondContact O-N 3.49Å; L253-E255 PolarHBondContact O-N 3.35Å; L253-T256 PolarHBondContact O-N 2.7Å; L253-T256 VanDerWaalsContact O-N 3.1Å; L253-T256 PolarHBondContact O-OG1 3.02Å; L253-L261 HydrophobicContact CD1-CD1 4.21Å; L253-L261 HydrophobicContact CD1-CD2 4.28Å
254	K	77.2	Confident	74.9	Confident	96 Å²	96	67.7 Å²	67.7	42%	0.417	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-62.7	-21.5	177.5	-172.2	160.7	-179.1	151.4	0	113.3	L228 L252	L228-K254 PolarHBondContact O-NZ 3.23Å; L252-K254 VanDerWaalsContact C-N 3.28Å; L252-K254 HydrophobicContact CG-CB 4.4Å; L252-K254 PolarHBondContact O-N 2.7Å
255	E	71.3	Confident	73.5	Confident	38 Å²	38	67.9 Å²	67.9	18%	0.178	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-97.5	-8.1	176.4	-61.5	-177.3	-174.9	0	0	113.5	L252 L253 K349 K381	L252-E255 HydrophobicContact CB-CB 4.36Å; L252-E255 HydrophobicContact CB-CG 4.17Å; L252-E255 HydrophobicContact CD2-CG 4.14Å; L252-E255 HydrophobicContact CG-CG 4.43Å; L252-E255 WeakPolarHBondContact O-CA 3.33Å; L252-E255 WeakPolarHBondContact O-CB 3.02Å; L252-E255 PolarHBondContact O-N 2.9Å; L253-E255 PolarHBondContact O-N 3.35Å; E255-K349 PolarHBondContact O-NZ 2.95Å; E255-K381 IonicContact OE1-NZ 2.68Å; E255-K381 PolarHBondContact OE1-NZ 3.31Å
256	T	76.6	Confident	71.7	Confident	6 Å²	6	72.5 Å²	72.5	4%	0.037	39%	0.393	C	S	.	.	S	Bend	trans	-71.3	154	174.6	64.4	0	0	0	0	111.4	K225 R251 L252 L253	K225-T256 WeakPolarHBondContact CE-O 2.98Å; R251-T256 HydrophobicContact CB-CG2 4.23Å; L252-T256 PolarHBondContact O-N 3.2Å; L253-T256 PolarHBondContact O-N 2.7Å; L253-T256 VanDerWaalsContact O-N 3.1Å; L253-T256 PolarHBondContact O-OG1 3.02Å
257	N	79.2	Confident	70.1	Confident	70 Å²	70	71.2 Å²	71.2	37%	0.374	40%	0.395	S	S	.	.			trans	-88.6	146.1	170.8	-175.6	4.2	0	0	0	110.8	Q259 E260 L261	N257-Q259 PolarHBondContact ND2-OE1 2.86Å; N257-Q259 PolarHBondContact O-N 3.12Å; N257-Q259 PolarHBondContact OD1-N 2.89Å; N257-E260 HydrophobicContact CB-CB 4.29Å; N257-E260 HydrophobicContact CB-CG 3.94Å; N257-E260 PolarHBondContact N-OE2 2.67Å; N257-E260 WeakPolarHBondContact O-CB 3.18Å; N257-E260 PolarHBondContact O-N 3.47Å; N257-L261 PolarHBondContact O-N 3.43Å; N257-L261 VanDerWaalsContact O-N 3.16Å
258	K	80.3	Confident	68.3	Low	93 Å²	93	69.9 Å²	69.9	40%	0.404	40%	0.396	S	S	.	.	H	α-helix	trans	-54.3	-35	173.9	-60.7	-172.4	177	-179.7	0	111.8	L222 K225 C262	L222-K258 HydrophobicContact CD1-CB 3.88Å; L222-K258 HydrophobicContact CD1-CD 4.06Å; L222-K258 HydrophobicContact CD1-CG 3.67Å; K225-K258 HydrophobicContact CD-CG 4.44Å; K258-C262 PolarHBondContact O-N 2.79Å
259	Q	76.3	Confident	66.5	Low	139 Å²	139	77.2 Å²	77.2	65%	0.65	44%	0.435	S	S	*	.	H	α-helix	trans	-77.9	-19.7	177.8	-64.3	149.3	-15	0	0	113.8	N257 C262	N257-Q259 PolarHBondContact ND2-OE1 2.86Å; N257-Q259 PolarHBondContact O-N 3.12Å; N257-Q259 PolarHBondContact OD1-N 2.89Å; Q259-C262 CarbonylContact O-C 3.1Å
260	E	76.8	Confident	64.6	Low	71 Å²	71	78.7 Å²	78.7	33%	0.332	45%	0.445	S	S	.	.	H	α-helix	trans	-77.7	-38.1	171	-72.4	175.9	139.9	0	0	110.6	L248 R251 N257 K349	L248-E260 HydrophobicContact CD2-CB 4.16Å; R251-E260 IonicContact CZ-OE1 3.73Å; R251-E260 IonicContact NH1-OE1 3.57Å; R251-E260 PolarHBondContact NH1-OE1 2.86Å; R251-E260 IonicContact NH1-OE2 3.99Å; R251-E260 PolarHBondContact NH1-OE2 2.77Å; R251-E260 IonicContact NH2-OE1 3.94Å; N257-E260 HydrophobicContact CB-CB 4.29Å; N257-E260 HydrophobicContact CB-CG 3.94Å; N257-E260 PolarHBondContact N-OE2 2.67Å; N257-E260 WeakPolarHBondContact O-CB 3.18Å; N257-E260 PolarHBondContact O-N 3.47Å; E260-K349 IonicContact OE2-NZ 2.86Å
261	L	80.3	Confident	62.7	Low	5 Å²	5	83.7 Å²	83.7	3%	0.026	47%	0.466	C	S	.	.	H	α-helix	trans	-68.8	-36.9	173	-63.2	172	0	0	0	112.4	C217 S218 C219 L222 K225 L248 L253 N257	C217-L261 VanDerWaalsContact C-CD2 3.43Å; C217-L261 HydrophobicContact CB-CD2 3.59Å; C217-L261 WeakPolarHBondContact O-CD2 3.44Å; S218-L261 CarbonylContact C-O 3.53Å; C219-L261 PolarHBondContact N-O 2.75Å; L222-L261 HydrophobicContact CD1-CD1 4.35Å; K225-L261 HydrophobicContact CB-CD1 4.28Å; K225-L261 HydrophobicContact CD-CD1 3.57Å; L248-L261 HydrophobicContact CD1-CD2 4.27Å; L253-L261 HydrophobicContact CD1-CD1 4.21Å; L253-L261 HydrophobicContact CD1-CD2 4.28Å; N257-L261 PolarHBondContact O-N 3.43Å; N257-L261 VanDerWaalsContact O-N 3.16Å
262	C	82.9	Confident	60.9	Low	23 Å²	23	86.4 Å²	86.4	16%	0.155	49%	0.488	C	S	.	.			trans	-125.8	84.3	179.3	-71.9	0	0	0	0	112.1	C219 K258 Q259 M264	C219-C262 WeakPolarHBondContact CA-SG 3.49Å; C219-C262 WeakPolarHBondContact CB-SG 3.02Å; C219-C262 WeakPolarHBondContact SG-CA 3.22Å; C219-C262 WeakPolarHBondContact SG-CB 3.28Å; C219-C262 CovalentContact SG-SG 2.04Å; C219-C262 PolarHBondContact SG-SG 2.02Å; K258-C262 PolarHBondContact O-N 2.79Å; Q259-C262 CarbonylContact O-C 3.1Å; C262-M264 VanDerWaalsContact C-N 3.26Å; C262-M264 PolarHBondContact O-N 3.38Å
263	P	64.9	Low	58.6	Low	108 Å²	108	95.6 Å²	95.6	70%	0.701	52%	0.521	S	S	*	.	S	Bend	trans	-68.5	-22.3	175.4	26.2	-34.2	0	0	0	113.5	G265	P263-G265 VanDerWaalsContact C-N 3.3Å; P263-G265 PolarHBondContact O-N 2.89Å; P263-G265 VanDerWaalsContact O-N 3.17Å
264	M	56.5	Low	56	Low	182 Å²	182	101.6 Å²	101.6	90%	0.897	55%	0.552	S	S	*	*			trans	-89.8	60.5	177.3	-63.8	-63.2	-75.9	0	0	111.3	C262	C262-M264 VanDerWaalsContact C-N 3.26Å; C262-M264 PolarHBondContact O-N 3.38Å
265	G	45.5	Very low	53.6	Low	61 Å²	61	104.8 Å²	104.8	63%	0.629	57%	0.572	S	S	*	*			trans	-108.6	36.2	-170.3	0	0	0	0	0	116	P263 G267	P263-G265 VanDerWaalsContact C-N 3.3Å; P263-G265 PolarHBondContact O-N 2.89Å; P263-G265 VanDerWaalsContact O-N 3.17Å; G265-G267 PolarHBondContact O-N 3.34Å; G265-G267 VanDerWaalsContact O-N 3.1Å
266	T	39.6	Very low	51.4	Low	147 Å²	147	108 Å²	108	90%	0.902	60%	0.597	S	S	*	*			trans	-79	89.9	176.6	51.9	0	0	0	0	112
267	G	40.5	Very low	49.5	Very low	69 Å²	69	113.9 Å²	113.9	71%	0.711	64%	0.635	S	S	*	*	S	Bend	trans	92.6	69.9	157.9	0	0	0	0	0	117.2	G265	G265-G267 PolarHBondContact O-N 3.34Å; G265-G267 VanDerWaalsContact O-N 3.1Å
268	S	35.3	Very low	47	Very low	97 Å²	97	115.5 Å²	115.5	68%	0.678	65%	0.652	S	S	*	*			trans	-175.1	128.4	134.2	29	0	0	0	0	110.7	F270	S268-F270 PolarHBondContact O-N 2.97Å; S268-F270 VanDerWaalsContact O-N 3.11Å
269	D	37.7	Very low	44.5	Very low	164 Å²	164	119.8 Å²	119.8	88%	0.877	67%	0.673	S	S	*	*			trans	-74.9	96.2	166.9	-74	-60.6	0	0	0	109.1	D271	D269-D271 PolarHBondContact O-N 3.48Å
270	F	34.8	Very low	42.1	Very low	178 Å²	178	120.5 Å²	120.5	78%	0.781	68%	0.681	S	S	*	*			trans	-76.4	71.5	167.4	-106.5	-83.8	0	0	0	110.4	S268 V272	S268-F270 PolarHBondContact O-N 2.97Å; S268-F270 VanDerWaalsContact O-N 3.11Å; F270-V272 PolarHBondContact O-N 3.09Å; F270-V272 VanDerWaalsContact O-N 3.1Å
271	D	30.2	Very low	39.7	Very low	127 Å²	127	124.4 Å²	124.4	68%	0.679	70%	0.699	S	S	*	*			trans	-72.3	93	168	-130.7	16.4	0	0	0	108	D269 R273	D269-D271 PolarHBondContact O-N 3.48Å; D271-R273 PolarHBondContact O-N 3.24Å
272	V	31.6	Very low	37.2	Very low	110 Å²	110	129.2 Å²	129.2	67%	0.667	73%	0.725	S	S	*	*			trans	-73.9	77.4	-179.7	-174.8	0	0	0	0	109.9	F270	F270-V272 PolarHBondContact O-N 3.09Å; F270-V272 VanDerWaalsContact O-N 3.1Å
273	R	29.7	Very low	34.5	Very low	223 Å²	223	130.8 Å²	130.8	84%	0.842	74%	0.744	S	S	*	*			trans	-89.9	125.3	160	-74.6	-172.3	173.4	-160.2	-2.3	109.2	D271	D271-R273 PolarHBondContact O-N 3.24Å
274	I	29.9	Very low	32.7	Very low	126 Å²	126	134 Å²	134	65%	0.646	74%	0.744	S	S	*	*			trans	-74.8	137.6	178.4	-56.5	165.1	0	0	0	109.5
275	L	26	Very low	31	Very low	163 Å²	163	129.4 Å²	129.4	85%	0.853	73%	0.726	S	S	*	*			trans	-178.4	171.3	141.8	-95	160.8	0	0	0	109.4
276	P	26.1	Very low	30.4	Very low	107 Å²	107	131.6 Å²	131.6	70%	0.695	73%	0.727	S	S	*	*				-97	164.9	-127.7	38.7	-39.2	0	0	0	115.9
277	P	36.7	Very low	30.1	Very low	129 Å²	129	126 Å²	126	84%	0.838	69%	0.693	S	S	*	*			trans	-85.6	133.4	179.2	33.6	-34	0	0	0	113.2
278	S	25.5	Very low	29.5	Very low	103 Å²	103	127.2 Å²	127.2	72%	0.72	68%	0.684	S	S	*	*			trans	-152.5	91.7	163	62	0	0	0	0	112.5
279	Q	28.3	Very low	29.1	Very low	183 Å²	183	124 Å²	124	86%	0.855	67%	0.666	S	S	*	*			trans	69.1	154	158	-54.6	170.7	-4.6	0	0	115.3
280	L	25.1	Very low	28.6	Very low	155 Å²	155	121.4 Å²	121.4	81%	0.812	65%	0.649	S	S	*	*			cis	-139.3	160.9	15.4	-134.8	129	0	0	0	112
281	E	27.7	Very low	28.1	Very low	153 Å²	153	117.7 Å²	117.7	72%	0.715	64%	0.64	S	S	*	*			trans	-72	-175.2	162	-51.9	176.1	157.9	0	0	109.8
282	N	27.6	Very low	27.8	Very low	106 Å²	106	118.8 Å²	118.8	57%	0.567	65%	0.652	S	S	*	*			cis	-147.9	176.3	11.7	-110.2	-50.6	0	0	0	108.4	Y284	N282-Y284 HydrophobicContact CB-CD2 4.2Å; N282-Y284 HydrophobicContact CB-CE2 3.88Å; N282-Y284 VanDerWaalsContact CG-CE2 3.41Å; N282-Y284 WeakPolarHBondContact OD1-CE2 3Å
283	G	24.8	Very low	27.4	Very low	55 Å²	55	122 Å²	122	57%	0.567	66%	0.66	S	S	*	*			cis	173.9	-163.7	-1.6	0	0	0	0	0	111.7
284	Y	27.5	Very low	27.1	Very low	175 Å²	175	116.6 Å²	116.6	69%	0.686	65%	0.652	S	S	*	*			trans	51	137	138.9	-52.8	-53.9	0	0	0	121.9	N282	N282-Y284 HydrophobicContact CB-CD2 4.2Å; N282-Y284 HydrophobicContact CB-CE2 3.88Å; N282-Y284 VanDerWaalsContact CG-CE2 3.41Å; N282-Y284 WeakPolarHBondContact OD1-CE2 3Å
285	T	21.8	Very low	26.8	Very low	87 Å²	87	116.2 Å²	116.2	53%	0.534	66%	0.656	S	S	.	*			cis	-151.2	157.9	-22.2	-24.4	0	0	0	0	111
286	T	31.2	Very low	26.6	Very low	106 Å²	106	115.5 Å²	115.5	65%	0.65	65%	0.652	S	S	*	*			trans	-61	167.9	160.8	54	0	0	0	0	112.2
287	P	34.7	Very low	26.6	Very low	29 Å²	29	118.7 Å²	118.7	19%	0.188	66%	0.657	C	S	.	*			cis	-143	146.4	14.1	18.3	9.7	0	0	0	119.1	R739 L740	P287-R739 WeakPolarHBondContact CB-O 3.26Å; P287-L740 WeakPolarHBondContact O-CA 3.39Å; P287-L740 WeakPolarHBondContact O-CD1 3.4Å; P287-L740 WeakPolarHBondContact O-CG 3.48Å
288	N	27	Very low	26	Very low	95 Å²	95	123 Å²	123	51%	0.508	66%	0.656	S	S	.	*			trans	72.1	-162.1	133.2	-69.7	-36.2	0	0	0	123	K738 R739 L740	N288-K738 VanDerWaalsContact CB-CA 3.45Å; N288-K738 HydrophobicContact CB-CB 4.46Å; N288-K738 VanDerWaalsContact CG-N 3.35Å; N288-K738 WeakPolarHBondContact OD1-CA 3.43Å; N288-K738 PolarHBondContact OD1-N 3.17Å; N288-R739 VanDerWaalsContact CB-O 3.31Å; N288-R739 WeakPolarHBondContact CB-O 3.38Å; N288-R739 PolarHBondContact ND2-N 3.03Å; N288-R739 PolarHBondContact ND2-O 2.02Å; N288-L740 VanDerWaalsContact C-CD1 3.43Å; N288-L740 VanDerWaalsContact O-CD1 3.3Å; N288-L740 WeakPolarHBondContact O-CD1 3.37Å
289	G	27	Very low	26	Very low	30 Å²	30	126.4 Å²	126.4	31%	0.309	67%	0.666	S	S	.	*			cis	-143.9	176.4	7.7	0	0	0	0	0	115.2	K738	G289-K738 VanDerWaalsContact C-CG 3.44Å; G289-K738 VanDerWaalsContact C-NZ 3.31Å; G289-K738 VanDerWaalsContact CA-C 3.47Å; G289-K738 VanDerWaalsContact CA-CG 3.46Å; G289-K738 PolarHBondContact O-NZ 3.3Å
290	H	27.4	Very low	25.8	Very low	110 Å²	110	122.1 Å²	122.1	51%	0.509	65%	0.652	S	S	.	*			cis	-122	-178.7	-13.5	-100.4	-37.3	0	0	0	113	K738 R739	H290-K738 WeakPolarHBondContact CA-O 3.24Å; H290-K738 PolarHBondContact ND1-O 3.07Å; H290-K738 VanDerWaalsContact ND1-O 3.07Å; H290-K738 WeakPolarHBondContact O-CD 3.25Å; H290-K738 PolarHBondContact O-NZ 3.46Å; H290-R739 PolarHBondContact CD2-NH1 2.98Å; H290-R739 WeakPolarHBondContact CE1-CD 3.45Å; H290-R739 WeakPolarHBondContact NE2-CD 3.33Å; H290-R739 PolarHBondContact NE2-NH1 3.16Å
291	T	25.4	Very low	25.8	Very low	99 Å²	99	120.6 Å²	120.6	61%	0.607	65%	0.649	S	S	*	*			trans	-104.9	142.9	176.1	40.6	0	0	0	0	116.6
292	T	23.4	Very low	25.8	Very low	151 Å²	151	122.4 Å²	122.4	93%	0.926	66%	0.655	S	S	*	*			trans	-167.3	166.1	158	14.2	0	0	0	0	111.9
293	Q	22.7	Very low	26.1	Very low	176 Å²	176	122.6 Å²	122.6	82%	0.822	66%	0.662	S	S	*	*			trans	-85.3	177.2	-178.4	-63.4	162.2	-11.3	0	0	111.2
294	T	22.7	Very low	26.4	Very low	110 Å²	110	126.2 Å²	126.2	68%	0.675	68%	0.675	S	S	*	*			cis	-169.3	137	36	-27.2	0	0	0	0	113
295	T	23.5	Very low	26.4	Very low	119 Å²	119	127.5 Å²	127.5	73%	0.73	68%	0.684	S	S	*	*			trans	53.6	157.5	148	50.5	0	0	0	0	124.8
296	L	22.8	Very low	26.8	Very low	147 Å²	147	129.8 Å²	129.8	77%	0.77	70%	0.698	S	S	*	*			trans	79.4	139.1	169	-59.2	162.4	0	0	0	115.6
297	H	26.5	Very low	26.6	Very low	174 Å²	174	131.8 Å²	131.8	81%	0.806	71%	0.71	S	S	*	*			cis	-129.7	165.9	7.7	-103.6	-78.5	0	0	0	113.8
298	R	24	Very low	26.2	Very low	219 Å²	219	137.7 Å²	137.7	83%	0.826	74%	0.74	S	S	*	*			trans	-105	134.3	177.6	177.4	-168.9	-168.9	-174.3	7.1	110.7	V300	R298-V300 HydrophobicContact CG-CG2 4.09Å
299	L	25.8	Very low	27	Very low	176 Å²	176	138 Å²	138	92%	0.921	75%	0.748	S	S	*	*			trans	-140.3	149.4	168.8	-102.2	164.7	0	0	0	111.1
300	V	22.7	Very low	26.9	Very low	93 Å²	93	141.5 Å²	141.5	56%	0.564	77%	0.767	S	S	*	*			trans	-151.2	138.7	-154.1	165.2	0	0	0	0	112.7	R298	R298-V300 HydrophobicContact CG-CG2 4.09Å
301	T	26.3	Very low	26.9	Very low	122 Å²	122	145.7 Å²	145.7	75%	0.748	78%	0.784	S	S	*	*			trans	66.6	159.7	173.4	65.3	0	0	0	0	116.1
302	K	26.3	Very low	27.1	Very low	191 Å²	191	148.8 Å²	148.8	83%	0.83	80%	0.795	S	S	*	*			cis	-139.5	164.4	21.5	-75.1	178.1	179.6	174.3	0	113.3
303	P	34.5	Very low	27.2	Very low	110 Å²	110	147.4 Å²	147.4	71%	0.714	79%	0.792	S	S	*	*			trans	-87.8	162.6	178.1	36.2	-37.1	0	0	0	114.5
304	P	31.9	Very low	27.4	Very low	131 Å²	131	142.9 Å²	142.9	85%	0.851	79%	0.793	S	S	*	*			trans	-76.1	166.3	167.4	33.4	-34.8	0	0	0	112.6
305	K	26.9	Very low	27.6	Very low	203 Å²	203	145.6 Å²	145.6	88%	0.883	80%	0.801	S	S	*	*			trans	-106.3	160.4	-169.1	-64.2	179.7	-179.1	177.4	0	114.2
306	T	29.5	Very low	27.7	Very low	135 Å²	135	146.5 Å²	146.5	83%	0.828	81%	0.807	S	S	*	*			trans	-76.1	147	168	48.1	0	0	0	0	113.1
307	T	28.2	Very low	27.9	Very low	147 Å²	147	144.3 Å²	144.3	90%	0.902	81%	0.809	S	S	*	*			trans	-158	151.1	152.8	13.1	0	0	0	0	110.8
308	N	26.1	Very low	28	Very low	153 Å²	153	139.7 Å²	139.7	82%	0.818	81%	0.809	S	S	*	*			trans	-165.8	166.4	-173.8	-149.6	21.5	0	0	0	107.4
309	P	43.5	Very low	28.2	Very low	103 Å²	103	139.4 Å²	139.4	67%	0.669	81%	0.814	S	S	*	*			cis	-123.9	-168.5	-40.1	32.7	-14	0	0	0	113.1
310	S	25.9	Very low	28.2	Very low	102 Å²	102	135.5 Å²	135.5	71%	0.713	81%	0.807	S	S	*	*			trans	101.8	144.8	145.3	83.9	0	0	0	0	121.9
311	K	26.4	Very low	28.5	Very low	198 Å²	198	139.5 Å²	139.5	86%	0.861	82%	0.824	S	S	*	*			trans	68.4	151	178.3	-51.5	-179.6	-177.9	176.7	0	113.6
312	I	29.9	Very low	28.6	Very low	164 Å²	164	138.5 Å²	138.5	84%	0.841	82%	0.822	S	S	*	*			cis	-132.9	158.4	20.1	-71.2	170.4	0	0	0	111.2
313	S	25.6	Very low	28.7	Very low	122 Å²	122	136.3 Å²	136.3	85%	0.853	82%	0.82	S	S	*	*			trans	-94.1	149.5	173.6	-45	0	0	0	0	112.6
314	G	25.8	Very low	28.6	Very low	82 Å²	82	143 Å²	143	85%	0.845	83%	0.831	S	S	*	*			trans	-171.9	111.9	175.2	0	0	0	0	0	116.3
315	I	27.2	Very low	28.5	Very low	166 Å²	166	144.6 Å²	144.6	85%	0.851	83%	0.832	S	S	*	*			trans	-84.2	150.4	176	-51.7	167.4	0	0	0	109.8
316	V	26.9	Very low	28.7	Very low	139 Å²	139	142.4 Å²	142.4	84%	0.842	83%	0.829	S	S	*	*			trans	165.8	145.6	132.3	154.7	0	0	0	0	111.7
317	A	26.4	Very low	28.9	Very low	100 Å²	100	141.5 Å²	141.5	83%	0.826	83%	0.829	S	S	*	*			trans	-101	152.2	177.3	0	0	0	0	0	112.8
318	G	27.7	Very low	29.2	Very low	78 Å²	78	143.4 Å²	143.4	80%	0.804	83%	0.827	S	S	*	*			trans	-141.5	153.3	176.2	0	0	0	0	0	111.8
319	K	28.7	Very low	29.5	Very low	213 Å²	213	143.5 Å²	143.5	93%	0.926	83%	0.826	S	S	*	*			trans	-98.4	147.7	-167.8	-70.4	179.1	179.1	175.6	0	114.5
320	A	26.4	Very low	28.9	Very low	94 Å²	94	143.8 Å²	143.8	78%	0.777	83%	0.825	S	S	*	*			trans	-30.8	155.9	170.2	0	0	0	0	0	119.6
321	L	28.1	Very low	29	Very low	176 Å²	176	143.7 Å²	143.7	92%	0.921	83%	0.825	S	S	*	*				-165.2	155.9	120.5	-107.3	164.1	0	0	0	114.3
322	S	29.2	Very low	29.2	Very low	102 Å²	102	144.2 Å²	144.2	71%	0.713	82%	0.823	S	S	*	*			trans	75.5	94.6	160.4	-149.1	0	0	0	0	121.5
323	N	27.2	Very low	29.1	Very low	145 Å²	145	144.9 Å²	144.9	78%	0.775	82%	0.822	S	S	*	*				34.8	117.7	130	-63.4	-8.4	0	0	0	121.2
324	R	32.9	Very low	29.5	Very low	251 Å²	251	145.2 Å²	145.2	95%	0.947	82%	0.82	S	S	*	*				-153.4	141.1	107.7	-109	171.2	-172.5	-166.4	1.1	111.1
325	N	30.3	Very low	29.9	Very low	163 Å²	163	152.4 Å²	152.4	87%	0.872	82%	0.821	S	S	*	*			trans	-76.7	129	179.6	-69	-18.3	0	0	0	111
326	L	31.1	Very low	30.2	Very low	157 Å²	157	150 Å²	150	82%	0.822	81%	0.814	S	S	*	*			trans	-145.1	134.7	142.1	-159.8	66.6	0	0	0	109.2	Q328	L326-Q328 PolarHBondContact O-N 3.38Å
327	S	33.3	Very low	30.8	Very low	117 Å²	117	148 Å²	148	82%	0.818	80%	0.804	S	S	*	*			trans	-66.5	119.1	-178.6	49.2	0	0	0	0	111
328	Q	34.6	Very low	31.5	Very low	187 Å²	187	149 Å²	149	87%	0.874	80%	0.802	S	S	*	*			trans	-114.1	137.8	165.7	-73.4	-166.9	-27.2	0	0	110.8	L326	L326-Q328 PolarHBondContact O-N 3.38Å
329	I	33.4	Very low	32.7	Very low	154 Å²	154	153.1 Å²	153.1	79%	0.79	81%	0.805	S	S	*	*			trans	-60.7	143	-173.4	-67.3	154.5	0	0	0	109.8	S331	I329-S331 VanDerWaalsContact C-N 3.31Å; I329-S331 PolarHBondContact O-N 3.17Å
330	V	30.1	Very low	34.1	Very low	109 Å²	109	145.1 Å²	145.1	66%	0.661	77%	0.774	S	S	*	*			trans	-63.7	96	167.6	177.8	0	0	0	0	108.1	Y332	V330-Y332 PolarHBondContact O-N 3.02Å
331	S	27.5	Very low	36.1	Very low	101 Å²	101	143.1 Å²	143.1	71%	0.706	75%	0.753	S	S	*	*			trans	-62.7	103	165.1	-59.5	0	0	0	0	107.6	I329 Q333	I329-S331 VanDerWaalsContact C-N 3.31Å; I329-S331 PolarHBondContact O-N 3.17Å; S331-Q333 PolarHBondContact O-N 3.31Å
332	Y	30.9	Very low	38.5	Very low	209 Å²	209	136.8 Å²	136.8	82%	0.82	72%	0.723	S	S	*	*			trans	-62	89.7	159.9	-71.2	-85	0	0	0	107.3	V330 T334	V330-Y332 PolarHBondContact O-N 3.02Å; Y332-T334 PolarHBondContact O-N 3.28Å
333	Q	28.7	Very low	41.1	Very low	177 Å²	177	132 Å²	132	83%	0.827	69%	0.689	S	S	*	*			trans	-59.8	95.8	156.5	-79.5	-174	-32	0	0	106.1	S331 R335	S331-Q333 PolarHBondContact O-N 3.31Å; Q333-R335 PolarHBondContact O-N 2.97Å
334	T	33.5	Very low	43.5	Very low	129 Å²	129	129.6 Å²	129.6	79%	0.791	69%	0.689	S	S	*	*			trans	-53.8	100.3	153.7	37.1	0	0	0	0	105.8	Y332 V336	Y332-T334 PolarHBondContact O-N 3.28Å; T334-V336 PolarHBondContact O-N 3.13Å
335	R	32.9	Very low	45.8	Very low	234 Å²	234	119.9 Å²	119.9	88%	0.883	66%	0.659	S	S	*	*			trans	-53.1	114.9	168.1	-75.6	-177.9	176.3	173.4	-1.1	105.3	Q333 P337	Q333-R335 PolarHBondContact O-N 2.97Å; R335-P337 WeakPolarHBondContact O-CD 3.37Å; R335-P337 VanDerWaalsContact O-N 3.11Å
336	V	34	Very low	48.4	Very low	115 Å²	115	113 Å²	113	70%	0.697	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-49.1	123.2	169.8	-178.9	0	0	0	0	105.7	T334	T334-V336 PolarHBondContact O-N 3.13Å
337	P	38.9	Very low	50.9	Low	98 Å²	98	110.7 Å²	110.7	64%	0.636	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-49.6	134.3	177.5	-28.3	35.7	0	0	0	108.7	R335 L339	R335-P337 WeakPolarHBondContact O-CD 3.37Å; R335-P337 VanDerWaalsContact O-N 3.11Å; P337-L339 PolarHBondContact O-N 3.14Å; P337-L339 VanDerWaalsContact O-N 3.1Å
338	P	41.8	Very low	53.2	Low	120 Å²	120	106.4 Å²	106.4	78%	0.779	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-53.7	123.7	-170.3	22.3	-33.6	0	0	0	109.1	T340	P338-T340 PolarHBondContact O-N 3.44Å
339	L	52.5	Low	55	Low	164 Å²	164	100 Å²	100	86%	0.859	55%	0.546	S	S	*	.			trans	-41.3	104.3	-168.2	-77.1	166.4	0	0	0	110.9	P337 P341	P337-L339 PolarHBondContact O-N 3.14Å; P337-L339 VanDerWaalsContact O-N 3.1Å; L339-P341 VanDerWaalsContact O-N 3.17Å
340	T	58.5	Low	56.6	Low	45 Å²	45	96.9 Å²	96.9	28%	0.276	53%	0.534	S	S	.	.			trans	-60.5	121.9	-170.6	-38.9	0	0	0	0	108.4	P338 C342 L357 L377	P338-T340 PolarHBondContact O-N 3.44Å; T340-C342 PolarHBondContact O-N 2.87Å; T340-L357 HydrophobicContact CG2-CD2 4.33Å; T340-L377 HydrophobicContact CG2-CB 4.43Å; T340-L377 WeakPolarHBondContact CG2-O 3.45Å
341	P	69.2	Low	57.8	Low	53 Å²	53	94.4 Å²	94.4	34%	0.344	52%	0.515	S	S	.	.			trans	-69	108.5	-162.5	26.5	-35.6	0	0	0	110.2	L339 P374 P376 L377	L339-P341 VanDerWaalsContact O-N 3.17Å; P341-P374 HydrophobicContact CB-CB 3.9Å; P341-P374 HydrophobicContact CB-CG 3.58Å; P341-P376 WeakPolarHBondContact O-CA 3.22Å; P341-L377 HydrophobicContact CG-CD1 4.12Å
342	C	78.3	Confident	58.8	Low	43 Å²	43	95.3 Å²	95.3	29%	0.291	52%	0.519	S	S	.	.			trans	-84.6	140.9	-178.6	-173.4	0	0	0	0	110.8	T340 C348 P374	T340-C342 PolarHBondContact O-N 2.87Å; C342-C348 VanDerWaalsContact CA-SG 3.57Å; C342-C348 HydrophobicContact CB-CB 3.72Å; C342-C348 WeakPolarHBondContact CB-SG 3.42Å; C342-C348 WeakPolarHBondContact SG-CB 3.5Å; C342-C348 PolarHBondContact SG-N 3.21Å; C342-C348 VanDerWaalsContact SG-N 3.39Å; C342-C348 CovalentContact SG-SG 2.03Å; C342-C348 PolarHBondContact SG-SG 2.72Å; C342-P374 WeakPolarHBondContact O-CD 3.27Å
343	P	84.3	Confident	59.8	Low	1 Å²	1	90.1 Å²	90.1	1%	0.006	51%	0.513	C	S	.	.			trans	-60	137.7	174.7	-19.7	28.2	0	0	0	112.4	P345 C346 L372 I373 P374 P376	P343-P345 VanDerWaalsContact C-CD 3.42Å; P343-C346 HydrophobicContact CB-CB 4.11Å; P343-C346 HydrophobicContact CG-CB 4.36Å; P343-C346 PolarHBondContact O-N 3.21Å; P343-L372 HydrophobicContact CB-CB 4.08Å; P343-L372 HydrophobicContact CB-CG 4.37Å; P343-L372 HydrophobicContact CG-CB 3.98Å; P343-L372 HydrophobicContact CG-CD2 4.34Å; P343-L372 HydrophobicContact CG-CG 4.34Å; P343-I373 WeakPolarHBondContact CA-O 3.01Å; P343-P374 WeakPolarHBondContact CA-O 3.46Å; P343-P374 WeakPolarHBondContact CD-O 3.3Å; P343-P374 VanDerWaalsContact CG-O 3.3Å; P343-P374 WeakPolarHBondContact CG-O 3.48Å; P343-P376 HydrophobicContact CG-CG 4.38Å
344	A	76.4	Confident	60.9	Low	94 Å²	94	85 Å²	85	78%	0.777	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-35.2	-177.1	0	0	0	0	0	116.6	C346 I373	A344-C346 VanDerWaalsContact C-N 3.34Å; A344-I373 PolarHBondContact N-O 3.46Å; A344-I373 VanDerWaalsContact N-O 3.15Å
345	P	81	Confident	62.2	Low	48 Å²	48	86.6 Å²	86.6	31%	0.312	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-5.7	176.4	31.7	-34.4	0	0	0	114.3	P343 K364 I366	P343-P345 VanDerWaalsContact C-CD 3.42Å; P345-K364 WeakPolarHBondContact O-CD 3.46Å; P345-K364 WeakPolarHBondContact O-CG 3.21Å; P345-I366 HydrophobicContact CG-CD1 4.28Å
346	C	85.4	Confident	63.8	Low	19 Å²	19	75.6 Å²	75.6	13%	0.128	45%	0.454	C	S	.	.	S	Bend	trans	-111	160	-168.3	-54.8	0	0	0	0	112.9	P343 A344 V359 N360 C361	P343-C346 HydrophobicContact CB-CB 4.11Å; P343-C346 HydrophobicContact CG-CB 4.36Å; P343-C346 PolarHBondContact O-N 3.21Å; A344-C346 VanDerWaalsContact C-N 3.34Å; C346-V359 HydrophobicContact CB-CG1 4.28Å; C346-N360 CarbonylContact C-O 3.53Å; C346-N360 WeakPolarHBondContact CA-O 2.85Å; C346-N360 WeakPolarHBondContact CB-O 3.44Å; C346-C361 HydrophobicContact CB-CB 4.09Å; C346-C361 WeakPolarHBondContact CB-SG 3.47Å; C346-C361 WeakPolarHBondContact SG-CB 3.45Å; C346-C361 CovalentContact SG-SG 2.03Å; C346-C361 PolarHBondContact SG-SG 3.22Å
347	F	83.6	Confident	66	Low	107 Å²	107	70.6 Å²	70.6	47%	0.469	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.8	168.1	178.8	-99.9	0	0	0	109.5	K349 N360	F347-K349 HydrophobicContact CE1-CB 4.1Å; F347-N360 PolarHBondContact N-O 2.64Å; F347-N360 PolarHBondContact O-N 3.14Å
348	C	82.7	Confident	68.1	Low	27 Å²	27	66.9 Å²	66.9	18%	0.182	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139.3	178.1	-52.7	0	0	0	0	111.7	C342 L357 S358	C342-C348 VanDerWaalsContact CA-SG 3.57Å; C342-C348 HydrophobicContact CB-CB 3.72Å; C342-C348 WeakPolarHBondContact CB-SG 3.42Å; C342-C348 WeakPolarHBondContact SG-CB 3.5Å; C342-C348 PolarHBondContact SG-N 3.21Å; C342-C348 VanDerWaalsContact SG-N 3.39Å; C342-C348 CovalentContact SG-SG 2.03Å; C342-C348 PolarHBondContact SG-SG 2.72Å; C348-L357 HydrophobicContact CB-CD1 4.02Å; C348-L357 HydrophobicContact CB-CD2 3.8Å; C348-L357 HydrophobicContact CB-CG 3.96Å; C348-S358 CarbonylContact C-O 3.12Å; C348-S358 VanDerWaalsContact CA-O 3.26Å; C348-S358 WeakPolarHBondContact CA-O 3.28Å
349	K	70.5	Confident	70.3	Confident	52 Å²	52	61.1 Å²	61.1	23%	0.226	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.5	177.9	-174.8	170.6	-175.5	169.6	0	110.6	E255 E260 F347 S358	E255-K349 PolarHBondContact O-NZ 2.95Å; E260-K349 IonicContact OE2-NZ 2.86Å; F347-K349 HydrophobicContact CE1-CB 4.1Å; K349-S358 PolarHBondContact N-O 3.19Å; K349-S358 PolarHBondContact O-N 2.99Å
350	T	68.3	Low	71.8	Confident	89 Å²	89	55.1 Å²	55.1	55%	0.546	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	134.7	171.7	43.2	0	0	0	0	110.3	L357	T350-L357 HydrophobicContact CG2-CD1 3.56Å
351	H	54.9	Low	73.2	Confident	58 Å²	58	53 Å²	53	27%	0.269	32%	0.318	S	S	.	.			trans	-94.7	119	179.8	-162.4	-112.5	0	0	0	110.7	S353 D354 L355 G356	H351-S353 PolarHBondContact O-N 2.9Å; H351-D354 HydrophobicContact CB-CB 4.21Å; H351-D354 IonicContact CE1-OD2 3.36Å; H351-D354 IonicContact CG-OD2 4Å; H351-D354 IonicContact ND1-OD2 3.15Å; H351-D354 PolarHBondContact ND1-OD2 2.99Å; H351-D354 PolarHBondContact O-N 3.17Å; H351-L355 PolarHBondContact O-N 3.4Å; H351-G356 PolarHBondContact N-O 3.48Å
352	P	47.7	Very low	73.9	Confident	119 Å²	119	52.7 Å²	52.7	77%	0.773	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-32.2	-172.2	-26.9	35.3	0	0	0	114.7	D354	P352-D354 VanDerWaalsContact C-N 3.33Å; P352-D354 PolarHBondContact O-N 3.13Å
353	S	51.8	Low	74.2	Confident	101 Å²	101	57 Å²	57	71%	0.706	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-14.8	-175.9	-42.8	0	0	0	0	114.4	H351	H351-S353 PolarHBondContact O-N 2.9Å
354	D	52.6	Low	74.2	Confident	70 Å²	70	62 Å²	62	37%	0.374	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-13.2	-155.7	-86.9	-81.7	0	0	0	115.7	H351 P352 G356 K380	H351-D354 HydrophobicContact CB-CB 4.21Å; H351-D354 IonicContact CE1-OD2 3.36Å; H351-D354 IonicContact CG-OD2 4Å; H351-D354 IonicContact ND1-OD2 3.15Å; H351-D354 PolarHBondContact ND1-OD2 2.99Å; H351-D354 PolarHBondContact O-N 3.17Å; P352-D354 VanDerWaalsContact C-N 3.33Å; P352-D354 PolarHBondContact O-N 3.13Å; D354-G356 PolarHBondContact O-N 3.41Å; D354-K380 HydrophobicContact CB-CD 4.21Å; D354-K380 WeakPolarHBondContact O-CE 3.34Å; D354-K380 PolarHBondContact O-NZ 3.31Å; D354-K380 IonicContact OD1-NZ 3.23Å; D354-K380 PolarHBondContact OD1-NZ 2.84Å
355	L	60	Low	74.7	Confident	162 Å²	162	62.8 Å²	62.8	85%	0.848	34%	0.34	S	S	*	.	S	Bend	trans	55.5	-3.6	-164.2	-92.2	68.5	0	0	0	115.7	H351	H351-L355 PolarHBondContact O-N 3.4Å
356	G	66.9	Low	75.1	Confident	3 Å²	3	60.6 Å²	60.6	3%	0.031	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-79.7	153.2	-178.8	0	0	0	0	0	114	H351 D354	H351-G356 PolarHBondContact N-O 3.48Å; D354-G356 PolarHBondContact O-N 3.41Å
357	L	79.7	Confident	75.2	Confident	9 Å²	9	66.3 Å²	66.3	5%	0.047	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.1	172.7	-160.8	75.3	0	0	0	110.5	T340 C348 T350 V359 P376 N378 A379 K380 K381	T340-L357 HydrophobicContact CG2-CD2 4.33Å; C348-L357 HydrophobicContact CB-CD1 4.02Å; C348-L357 HydrophobicContact CB-CD2 3.8Å; C348-L357 HydrophobicContact CB-CG 3.96Å; T350-L357 HydrophobicContact CG2-CD1 3.56Å; L357-V359 HydrophobicContact CD2-CG2 3.92Å; L357-V359 HydrophobicContact CG-CG2 4.19Å; L357-P376 HydrophobicContact CD2-CB 3.51Å; L357-P376 HydrophobicContact CD2-CG 4.41Å; L357-N378 PolarHBondContact N-O 3.25Å; L357-A379 CarbonylContact O-C 3.59Å; L357-A379 WeakPolarHBondContact O-CA 3.17Å; L357-K380 PolarHBondContact O-N 3.41Å; L357-K381 PolarHBondContact O-N 2.93Å
358	S	84.2	Confident	75.5	Confident	20 Å²	20	63.2 Å²	63.2	14%	0.14	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.2	164.6	-175	0	0	0	0	108.8	C348 K349	C348-S358 CarbonylContact C-O 3.12Å; C348-S358 VanDerWaalsContact CA-O 3.26Å; C348-S358 WeakPolarHBondContact CA-O 3.28Å; K349-S358 PolarHBondContact N-O 3.19Å; K349-S358 PolarHBondContact O-N 2.99Å
359	V	86.9	Confident	75.7	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	116.5	-172.9	-176.1	0	0	0	0	108.9	C346 L357 P376 A379 K381 L382 H383	C346-V359 HydrophobicContact CB-CG1 4.28Å; L357-V359 HydrophobicContact CD2-CG2 3.92Å; L357-V359 HydrophobicContact CG-CG2 4.19Å; V359-P376 HydrophobicContact CG1-CG 4.47Å; V359-P376 HydrophobicContact CG2-CB 4.34Å; V359-P376 HydrophobicContact CG2-CG 3.75Å; V359-A379 HydrophobicContact CG2-CB 4.06Å; V359-K381 PolarHBondContact N-O 2.92Å; V359-L382 HydrophobicContact CB-CD1 3.81Å; V359-L382 HydrophobicContact CG1-CD1 3.65Å; V359-L382 WeakPolarHBondContact O-CA 3.31Å; V359-H383 PolarHBondContact O-N 2.97Å
360	N	85.1	Confident	76.4	Confident	37 Å²	37	62.6 Å²	62.6	20%	0.198	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	119.4	179.7	-172.6	-24.1	0	0	0	111	C346 F347 Q362	C346-N360 CarbonylContact C-O 3.53Å; C346-N360 WeakPolarHBondContact CA-O 2.85Å; C346-N360 WeakPolarHBondContact CB-O 3.44Å; F347-N360 PolarHBondContact N-O 2.64Å; F347-N360 PolarHBondContact O-N 3.14Å; N360-Q362 PolarHBondContact ND2-OE1 2.98Å; N360-Q362 WeakPolarHBondContact OD1-CB 3.44Å; N360-Q362 WeakPolarHBondContact OD1-CG 3.3Å; N360-Q362 PolarHBondContact OD1-N 3.02Å; N360-Q362 PolarHBondContact OD1-OE1 2.73Å
361	C	87.1	Confident	77.1	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.337	C	S	.	.			trans	-124.2	28.6	-178.2	-51.8	0	0	0	0	111.3	C346 K364 I366 H383 V384 N387	C346-C361 HydrophobicContact CB-CB 4.09Å; C346-C361 WeakPolarHBondContact CB-SG 3.47Å; C346-C361 WeakPolarHBondContact SG-CB 3.45Å; C346-C361 CovalentContact SG-SG 2.03Å; C346-C361 PolarHBondContact SG-SG 3.22Å; C361-K364 WeakPolarHBondContact O-CG 3.39Å; C361-I366 HydrophobicContact CB-CD1 3.83Å; C361-H383 WeakPolarHBondContact CA-O 3.24Å; C361-H383 WeakPolarHBondContact CB-O 3.39Å; C361-H383 PolarHBondContact N-O 3.39Å; C361-V384 HydrophobicContact CB-CG1 3.82Å; C361-N387 PolarHBondContact O-ND2 2.85Å
362	Q	84.1	Confident	78.4	Confident	47 Å²	47	59.6 Å²	59.6	22%	0.22	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	136.3	-173.9	-75	170.3	-24.8	0	0	113.5	N360 K364 H383 N385	N360-Q362 PolarHBondContact ND2-OE1 2.98Å; N360-Q362 WeakPolarHBondContact OD1-CB 3.44Å; N360-Q362 WeakPolarHBondContact OD1-CG 3.3Å; N360-Q362 PolarHBondContact OD1-N 3.02Å; N360-Q362 PolarHBondContact OD1-OE1 2.73Å; Q362-K364 VanDerWaalsContact C-N 3.28Å; Q362-K364 WeakPolarHBondContact O-CE 3.44Å; Q362-K364 WeakPolarHBondContact O-CG 3.46Å; Q362-K364 PolarHBondContact O-N 3.43Å; Q362-K364 PolarHBondContact O-NZ 3.04Å; Q362-H383 HydrophobicContact CG-CB 4.25Å; Q362-N385 WeakPolarHBondContact CA-O 3.34Å; Q362-N385 VanDerWaalsContact CG-OD1 3.24Å; Q362-N385 WeakPolarHBondContact CG-OD1 3.27Å; Q362-N385 PolarHBondContact NE2-ND2 2.82Å; Q362-N385 PolarHBondContact NE2-OD1 3.34Å
363	E	85.3	Confident	80	Confident	134 Å²	134	59.6 Å²	59.6	63%	0.626	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	38.6	174.4	-57.8	-174.7	-179.5	0	0	113.9	N385 G386	E363-N385 PolarHBondContact N-O 2.99Å; E363-G386 WeakPolarHBondContact CA-O 3.44Å
364	K	84.3	Confident	81.3	Confident	106 Å²	106	57.6 Å²	57.6	46%	0.461	30%	0.301	S	S	.	.	S	Bend	trans	-97.7	3	-178	-57.9	-59.2	175.6	-109	0	114.1	P345 C361 Q362 I366 N387	P345-K364 WeakPolarHBondContact O-CD 3.46Å; P345-K364 WeakPolarHBondContact O-CG 3.21Å; C361-K364 WeakPolarHBondContact O-CG 3.39Å; Q362-K364 VanDerWaalsContact C-N 3.28Å; Q362-K364 WeakPolarHBondContact O-CE 3.44Å; Q362-K364 WeakPolarHBondContact O-CG 3.46Å; Q362-K364 PolarHBondContact O-N 3.43Å; Q362-K364 PolarHBondContact O-NZ 3.04Å; K364-I366 HydrophobicContact CB-CD1 3.96Å; K364-I366 HydrophobicContact CB-CG1 3.99Å; K364-I366 PolarHBondContact O-N 3.06Å; K364-N387 WeakPolarHBondContact CA-OD1 2.97Å; K364-N387 PolarHBondContact N-OD1 3.08Å
365	N	87.2	Confident	82.6	Confident	111 Å²	111	56.1 Å²	56.1	59%	0.594	29%	0.292	S	S	*	.			trans	59.6	25.5	-176	-62.1	-87.3	0	0	0	114.3	N387	N365-N387 PolarHBondContact N-OD1 2.78Å
366	I	88.5	Confident	83.2	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	25%	0.252	C	S	.	.			trans	-60	136	175.7	-66.1	163.6	0	0	0	109.3	P345 C361 K364 S368 E371 L372 N387 N388 I389	P345-I366 HydrophobicContact CG-CD1 4.28Å; C361-I366 HydrophobicContact CB-CD1 3.83Å; K364-I366 HydrophobicContact CB-CD1 3.96Å; K364-I366 HydrophobicContact CB-CG1 3.99Å; K364-I366 PolarHBondContact O-N 3.06Å; I366-S368 WeakPolarHBondContact CG2-O 3.29Å; I366-E371 HydrophobicContact CG2-CB 4.27Å; I366-L372 HydrophobicContact CD1-CD1 4.31Å; I366-L372 HydrophobicContact CG2-CD1 4.28Å; I366-N387 HydrophobicContact CB-CB 4.2Å; I366-N387 PolarHBondContact N-OD1 3.03Å; I366-N388 CarbonylContact O-C 3.46Å; I366-N388 WeakPolarHBondContact O-CA 3.19Å; I366-N388 PolarHBondContact O-N 3.44Å; I366-I389 HydrophobicContact CG2-CD1 4.47Å; I366-I389 HydrophobicContact CG2-CG1 4.25Å; I366-I389 PolarHBondContact O-N 2.98Å
367	Q	88.9	Confident	83.4	Confident	138 Å²	138	53.2 Å²	53.2	65%	0.645	28%	0.276	S	S	*	.			trans	-107.5	-23.5	-177.8	-58.5	175.6	52.6	0	0	112.3	E371 N388 I389	Q367-E371 VanDerWaalsContact CA-OE1 3.3Å; Q367-E371 WeakPolarHBondContact CA-OE1 3.29Å; Q367-E371 WeakPolarHBondContact CB-OE1 3.28Å; Q367-E371 PolarHBondContact N-OE1 3.27Å; Q367-N388 HydrophobicContact CG-CB 4.43Å; Q367-I389 WeakPolarHBondContact O-CA 3.19Å
368	S	88.8	Confident	83.2	Confident	42 Å²	42	58.7 Å²	58.7	29%	0.294	31%	0.305	S	S	.	.			trans	-143	144.2	174.1	178.6	0	0	0	0	111.5	I366 S370 E371	I366-S368 WeakPolarHBondContact CG2-O 3.29Å; S368-S370 PolarHBondContact O-N 3.11Å; S368-S370 VanDerWaalsContact O-N 3.14Å; S368-S370 PolarHBondContact OG-N 2.84Å; S368-E371 PolarHBondContact N-OE1 2.93Å; S368-E371 WeakPolarHBondContact O-CB 3.41Å; S368-E371 PolarHBondContact O-N 2.99Å
369	M	87.6	Confident	83.1	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.01	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-58.7	-22.3	171.2	-70.2	-61.5	-58.3	0	0	113.2	E371 L372 L382 V384 I389 D396 F397 L408	M369-E371 PolarHBondContact O-N 3.25Å; M369-L372 HydrophobicContact CE-CD1 4.16Å; M369-L372 HydrophobicContact CE-CD2 4.22Å; M369-L372 WeakPolarHBondContact O-CD1 3.25Å; M369-L372 PolarHBondContact O-N 3.41Å; M369-L372 HydrophobicContact SD-CD1 4.23Å; M369-L382 HydrophobicContact CE-CD2 4.05Å; M369-V384 HydrophobicContact CE-CG1 4.3Å; M369-V384 HydrophobicContact SD-CB 4.33Å; M369-V384 HydrophobicContact SD-CG1 4.14Å; M369-V384 HydrophobicContact SD-CG2 4.14Å; M369-I389 HydrophobicContact CG-CD1 4.24Å; M369-I389 HydrophobicContact SD-CD1 3.65Å; M369-D396 HydrophobicContact CB-CB 3.69Å; M369-D396 VanDerWaalsContact CB-CG 3.42Å; M369-D396 HydrophobicContact CG-CB 4.29Å; M369-F397 HydrophobicContact CE-CE1 3.67Å; M369-F397 HydrophobicContact CE-CZ 3.92Å; M369-F397 HydrophobicContact CG-CZ 4.48Å; M369-L408 HydrophobicContact SD-CD2 4.2Å
370	S	84.7	Confident	83	Confident	64 Å²	64	61.2 Å²	61.2	45%	0.448	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-68.4	-8.9	173.2	-70.5	0	0	0	0	114.2	S368 L372 I373 D396	S368-S370 PolarHBondContact O-N 3.11Å; S368-S370 VanDerWaalsContact O-N 3.14Å; S368-S370 PolarHBondContact OG-N 2.84Å; S370-L372 VanDerWaalsContact C-N 3.31Å; S370-I373 WeakPolarHBondContact O-CG1 3.34Å; S370-D396 PolarHBondContact OG-OD1 2.73Å
371	E	83.2	Confident	83.1	Confident	82 Å²	82	62 Å²	62	38%	0.383	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-77.9	-12.4	171.1	-66.4	169.6	-122.7	0	0	113.2	I366 Q367 S368 M369 I373	I366-E371 HydrophobicContact CG2-CB 4.27Å; Q367-E371 VanDerWaalsContact CA-OE1 3.3Å; Q367-E371 WeakPolarHBondContact CA-OE1 3.29Å; Q367-E371 WeakPolarHBondContact CB-OE1 3.28Å; Q367-E371 PolarHBondContact N-OE1 3.27Å; S368-E371 PolarHBondContact N-OE1 2.93Å; S368-E371 WeakPolarHBondContact O-CB 3.41Å; S368-E371 PolarHBondContact O-N 2.99Å; M369-E371 PolarHBondContact O-N 3.25Å; E371-I373 PolarHBondContact O-N 3.49Å
372	L	82.9	Confident	83.2	Confident	2 Å²	2	62 Å²	62	1%	0.01	32%	0.315	C	S	.	.			trans	-76.8	67.4	178	-75.3	82.3	0	0	0	111.1	P343 I366 M369 S370 P374 K375 L382 V384	P343-L372 HydrophobicContact CB-CB 4.08Å; P343-L372 HydrophobicContact CB-CG 4.37Å; P343-L372 HydrophobicContact CG-CB 3.98Å; P343-L372 HydrophobicContact CG-CD2 4.34Å; P343-L372 HydrophobicContact CG-CG 4.34Å; I366-L372 HydrophobicContact CD1-CD1 4.31Å; I366-L372 HydrophobicContact CG2-CD1 4.28Å; M369-L372 HydrophobicContact CE-CD1 4.16Å; M369-L372 HydrophobicContact CE-CD2 4.22Å; M369-L372 WeakPolarHBondContact O-CD1 3.25Å; M369-L372 PolarHBondContact O-N 3.41Å; M369-L372 HydrophobicContact SD-CD1 4.23Å; S370-L372 VanDerWaalsContact C-N 3.31Å; L372-P374 CarbonylContact O-C 3.37Å; L372-K375 WeakPolarHBondContact O-CG 3.42Å; L372-K375 PolarHBondContact O-N 3.29Å; L372-L382 HydrophobicContact CD2-CD1 4.08Å; L372-V384 HydrophobicContact CD2-CG1 4.16Å
373	I	80.1	Confident	83.3	Confident	120 Å²	120	61.3 Å²	61.3	62%	0.615	31%	0.312	S	S	*	.			trans	-108.1	133.5	177.7	-55	177.3	0	0	0	109.3	P343 A344 S370 E371	P343-I373 WeakPolarHBondContact CA-O 3.01Å; A344-I373 PolarHBondContact N-O 3.46Å; A344-I373 VanDerWaalsContact N-O 3.15Å; S370-I373 WeakPolarHBondContact O-CG1 3.34Å; E371-I373 PolarHBondContact O-N 3.49Å
374	P	78.7	Confident	83.5	Confident	58 Å²	58	54.9 Å²	54.9	38%	0.377	28%	0.282	S	S	.	.	S	Bend	cis	-69	149.9	-13.6	29.9	-36.5	0	0	0	112.4	P341 C342 P343 L372	P341-P374 HydrophobicContact CB-CB 3.9Å; P341-P374 HydrophobicContact CB-CG 3.58Å; C342-P374 WeakPolarHBondContact O-CD 3.27Å; P343-P374 WeakPolarHBondContact CA-O 3.46Å; P343-P374 WeakPolarHBondContact CD-O 3.3Å; P343-P374 VanDerWaalsContact CG-O 3.3Å; P343-P374 WeakPolarHBondContact CG-O 3.48Å; L372-P374 CarbonylContact O-C 3.37Å
375	K	79.5	Confident	83.8	Confident	39 Å²	39	51.1 Å²	51.1	17%	0.17	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-71.9	133.4	173.3	-72.7	-172.1	179.8	-168.3	0	110.4	L372 S395 D396 E399 F400	L372-K375 WeakPolarHBondContact O-CG 3.42Å; L372-K375 PolarHBondContact O-N 3.29Å; K375-S395 PolarHBondContact NZ-O 2.82Å; K375-D396 PolarHBondContact NZ-O 3.49Å; K375-E399 VanDerWaalsContact CB-OE2 3.31Å; K375-E399 WeakPolarHBondContact CB-OE2 3.32Å; K375-E399 HydrophobicContact CD-CB 4.22Å; K375-E399 HydrophobicContact CD-CG 4.47Å; K375-E399 WeakPolarHBondContact CD-OE2 3.04Å; K375-F400 HydrophobicContact CD-CE2 3.98Å; K375-F400 HydrophobicContact CG-CE2 4.22Å
376	P	73.9	Confident	83.6	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-86.2	118.5	-176.1	29.3	-29.8	0	0	0	112.6	P341 P343 L357 V359 A379 F400	P341-P376 WeakPolarHBondContact O-CA 3.22Å; P343-P376 HydrophobicContact CG-CG 4.38Å; L357-P376 HydrophobicContact CD2-CB 3.51Å; L357-P376 HydrophobicContact CD2-CG 4.41Å; V359-P376 HydrophobicContact CG1-CG 4.47Å; V359-P376 HydrophobicContact CG2-CB 4.34Å; V359-P376 HydrophobicContact CG2-CG 3.75Å; P376-A379 HydrophobicContact CG-CB 4.31Å; P376-F400 HydrophobicContact CG-CE1 4.01Å; P376-F400 HydrophobicContact CG-CZ 4.36Å
377	L	71.3	Confident	83.8	Confident	104 Å²	104	47.3 Å²	47.3	55%	0.545	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	146.9	169.5	-62.9	90.8	0	0	0	110.7	T340 P341 A379	T340-L377 HydrophobicContact CG2-CB 4.43Å; T340-L377 WeakPolarHBondContact CG2-O 3.45Å; P341-L377 HydrophobicContact CG-CD1 4.12Å; L377-A379 VanDerWaalsContact C-N 3.3Å; L377-A379 PolarHBondContact O-N 3.41Å
378	N	75.8	Confident	84	Confident	123 Å²	123	43.5 Å²	43.5	66%	0.658	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	31.5	177.9	-56	-13.5	0	0	0	115.2	L357 K380	L357-N378 PolarHBondContact N-O 3.25Å; N378-K380 PolarHBondContact O-N 3.03Å
379	A	81.9	Confident	84.2	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.008	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	127.4	167.7	0	0	0	0	0	111.3	L357 V359 P376 L377 F400 G402 L403	L357-A379 CarbonylContact O-C 3.59Å; L357-A379 WeakPolarHBondContact O-CA 3.17Å; V359-A379 HydrophobicContact CG2-CB 4.06Å; P376-A379 HydrophobicContact CG-CB 4.31Å; L377-A379 VanDerWaalsContact C-N 3.3Å; L377-A379 PolarHBondContact O-N 3.41Å; A379-F400 HydrophobicContact CB-CD1 3.9Å; A379-F400 HydrophobicContact CB-CE1 4.11Å; A379-G402 CarbonylContact O-C 3.28Å; A379-L403 HydrophobicContact CB-CD2 4.06Å; A379-L403 PolarHBondContact O-N 2.8Å
380	K	84.7	Confident	84.4	Confident	73 Å²	73	46.5 Å²	46.5	32%	0.317	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-31.2	172.3	-80.1	-162.6	-176.1	-163.2	0	113.4	D354 L357 N378 D404 L405	D354-K380 HydrophobicContact CB-CD 4.21Å; D354-K380 WeakPolarHBondContact O-CE 3.34Å; D354-K380 PolarHBondContact O-NZ 3.31Å; D354-K380 IonicContact OD1-NZ 3.23Å; D354-K380 PolarHBondContact OD1-NZ 2.84Å; L357-K380 PolarHBondContact O-N 3.41Å; N378-K380 PolarHBondContact O-N 3.03Å; K380-D404 PolarHBondContact O-N 3.44Å; K380-L405 PolarHBondContact O-N 3.08Å
381	K	86	Confident	84.7	Confident	52 Å²	52	48 Å²	48	23%	0.226	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.9	176.4	-57.8	-176.9	-178.9	-177.7	0	109.5	E255 L357 V359 L405	E255-K381 IonicContact OE1-NZ 2.68Å; E255-K381 PolarHBondContact OE1-NZ 3.31Å; L357-K381 PolarHBondContact O-N 2.93Å; V359-K381 PolarHBondContact N-O 2.92Å; K381-L405 HydrophobicContact CG-CB 4.37Å
382	L	89.4	Confident	85.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	114.1	175.9	-179.9	58.9	0	0	0	111.2	V359 M369 L372 V384 F397 F400 L403 L405 L406 H407	V359-L382 HydrophobicContact CB-CD1 3.81Å; V359-L382 HydrophobicContact CG1-CD1 3.65Å; V359-L382 WeakPolarHBondContact O-CA 3.31Å; M369-L382 HydrophobicContact CE-CD2 4.05Å; L372-L382 HydrophobicContact CD2-CD1 4.08Å; L382-V384 HydrophobicContact CD1-CG1 3.93Å; L382-V384 HydrophobicContact CG-CG1 4.17Å; L382-F397 HydrophobicContact CD2-CE1 4.05Å; L382-F400 HydrophobicContact CD2-CD1 4Å; L382-F400 HydrophobicContact CD2-CE1 3.71Å; L382-F400 HydrophobicContact CD2-CZ 4.11Å; L382-L403 HydrophobicContact CB-CD1 4.15Å; L382-L403 HydrophobicContact CB-CD2 3.75Å; L382-L403 HydrophobicContact CD2-CD1 4.26Å; L382-L405 PolarHBondContact N-O 3.15Å; L382-L406 HydrophobicContact CB-CD1 4.1Å; L382-L406 HydrophobicContact CD2-CD1 3.91Å; L382-L406 HydrophobicContact CG-CD1 4.06Å; L382-H407 PolarHBondContact O-N 2.92Å
383	H	86.9	Confident	85.5	Confident	33 Å²	33	46.8 Å²	46.8	15%	0.153	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	110.5	179.5	-56.2	-98.9	0	0	0	109.9	V359 C361 Q362	V359-H383 PolarHBondContact O-N 2.97Å; C361-H383 WeakPolarHBondContact CA-O 3.24Å; C361-H383 WeakPolarHBondContact CB-O 3.39Å; C361-H383 PolarHBondContact N-O 3.39Å; Q362-H383 HydrophobicContact CG-CB 4.25Å
384	V	90	Very high	85.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.23	C	C	.	.			trans	-128	19.8	-175.4	-78.4	0	0	0	0	111.9	C361 M369 L372 L382 N387 I389 L406 H407 L408 N411	C361-V384 HydrophobicContact CB-CG1 3.82Å; M369-V384 HydrophobicContact CE-CG1 4.3Å; M369-V384 HydrophobicContact SD-CB 4.33Å; M369-V384 HydrophobicContact SD-CG1 4.14Å; M369-V384 HydrophobicContact SD-CG2 4.14Å; L372-V384 HydrophobicContact CD2-CG1 4.16Å; L382-V384 HydrophobicContact CD1-CG1 3.93Å; L382-V384 HydrophobicContact CG-CG1 4.17Å; V384-N387 PolarHBondContact O-ND2 2.79Å; V384-I389 HydrophobicContact CB-CD1 4.37Å; V384-L406 HydrophobicContact CG2-CD1 4.46Å; V384-H407 CarbonylContact C-O 3.39Å; V384-H407 WeakPolarHBondContact CG2-O 3.41Å; V384-H407 PolarHBondContact N-O 2.97Å; V384-L408 HydrophobicContact CG2-CD2 3.49Å; V384-L408 VanDerWaalsContact CG2-CD2 3.49Å; V384-L408 HydrophobicContact CG2-CG 3.91Å; V384-N411 PolarHBondContact O-ND2 3.15Å
385	N	89.7	Confident	86.2	Confident	26 Å²	26	44.1 Å²	44.1	14%	0.139	23%	0.233	C	C	.	.			trans	-72.3	158.2	178	59.3	-78.5	0	0	0	114.3	Q362 E363 N387 H407 G409	Q362-N385 WeakPolarHBondContact CA-O 3.34Å; Q362-N385 VanDerWaalsContact CG-OD1 3.24Å; Q362-N385 WeakPolarHBondContact CG-OD1 3.27Å; Q362-N385 PolarHBondContact NE2-ND2 2.82Å; Q362-N385 PolarHBondContact NE2-OD1 3.34Å; E363-N385 PolarHBondContact N-O 2.99Å; N385-N387 VanDerWaalsContact C-N 3.33Å; N385-N387 PolarHBondContact O-ND2 3.42Å; N385-H407 VanDerWaalsContact CB-ND1 3.31Å; N385-H407 WeakPolarHBondContact CB-ND1 3.45Å; N385-H407 PolarHBondContact N-O 2.82Å; N385-H407 PolarHBondContact OD1-CE1 2.98Å; N385-H407 PolarHBondContact OD1-ND1 2.87Å; N385-G409 WeakPolarHBondContact CA-O 2.85Å; N385-G409 WeakPolarHBondContact CB-O 3.43Å
386	G	83.9	Confident	86.6	Confident	29 Å²	29	42.4 Å²	42.4	30%	0.299	23%	0.225	S	C	.	.	S	Bend	trans	71.7	27.8	-179.5	0	0	0	0	0	113.1	E363 S410	E363-G386 WeakPolarHBondContact CA-O 3.44Å; G386-S410 VanDerWaalsContact CA-O 3.27Å; G386-S410 WeakPolarHBondContact CA-O 3.33Å; G386-S410 PolarHBondContact N-O 2.84Å
387	N	91.4	Very high	87.3	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.021	23%	0.225	C	C	.	.	S	Bend	trans	-114.4	-177	179.4	-74.1	-64.4	0	0	0	110.5	C361 K364 N365 I366 V384 N385 I389 N411	C361-N387 PolarHBondContact O-ND2 2.85Å; K364-N387 WeakPolarHBondContact CA-OD1 2.97Å; K364-N387 PolarHBondContact N-OD1 3.08Å; N365-N387 PolarHBondContact N-OD1 2.78Å; I366-N387 HydrophobicContact CB-CB 4.2Å; I366-N387 PolarHBondContact N-OD1 3.03Å; V384-N387 PolarHBondContact O-ND2 2.79Å; N385-N387 VanDerWaalsContact C-N 3.33Å; N385-N387 PolarHBondContact O-ND2 3.42Å; N387-I389 HydrophobicContact CB-CD1 4.41Å; N387-I389 HydrophobicContact CB-CG1 4.32Å; N387-N411 WeakPolarHBondContact CA-OD1 3.4Å; N387-N411 WeakPolarHBondContact CB-OD1 3.27Å; N387-N411 WeakPolarHBondContact O-CA 3.44Å; N387-N411 PolarHBondContact O-OD1 3.32Å; N387-N411 VanDerWaalsContact O-OD1 3.06Å
388	N	92.8	Very high	87.8	Confident	59 Å²	59	39.7 Å²	39.7	32%	0.316	21%	0.213	S	C	.	.			trans	-109.5	30.1	-176.5	-70.7	-18.1	0	0	0	112.3	I366 Q367 Q412	I366-N388 CarbonylContact O-C 3.46Å; I366-N388 WeakPolarHBondContact O-CA 3.19Å; I366-N388 PolarHBondContact O-N 3.44Å; Q367-N388 HydrophobicContact CG-CB 4.43Å; N388-Q412 PolarHBondContact OD1-NE2 2.95Å
389	I	93.9	Very high	88.1	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.207	C	C	.	.			trans	-67.3	131.4	178.7	-56.4	164.4	0	0	0	109.2	I366 Q367 M369 V384 N387 V392 L408 N411 Q412 I413	I366-I389 HydrophobicContact CG2-CD1 4.47Å; I366-I389 HydrophobicContact CG2-CG1 4.25Å; I366-I389 PolarHBondContact O-N 2.98Å; Q367-I389 WeakPolarHBondContact O-CA 3.19Å; M369-I389 HydrophobicContact CG-CD1 4.24Å; M369-I389 HydrophobicContact SD-CD1 3.65Å; V384-I389 HydrophobicContact CB-CD1 4.37Å; N387-I389 HydrophobicContact CB-CD1 4.41Å; N387-I389 HydrophobicContact CB-CG1 4.32Å; I389-V392 HydrophobicContact CG2-CG2 4.4Å; I389-L408 HydrophobicContact CD1-CD2 4.4Å; I389-N411 HydrophobicContact CB-CB 4.39Å; I389-N411 WeakPolarHBondContact CB-OD1 3.5Å; I389-N411 WeakPolarHBondContact CG1-OD1 3.43Å; I389-N411 PolarHBondContact N-OD1 3.01Å; I389-N411 VanDerWaalsContact N-OD1 3.14Å; I389-Q412 CarbonylContact O-C 3.58Å; I389-Q412 VanDerWaalsContact O-CA 3.29Å; I389-Q412 WeakPolarHBondContact O-CA 3.41Å; I389-Q412 PolarHBondContact O-N 2.73Å; I389-I413 HydrophobicContact CB-CG1 4.42Å; I389-I413 HydrophobicContact CG2-CG1 4.18Å; I389-I413 PolarHBondContact O-N 3.35Å; I389-I413 VanDerWaalsContact O-N 3.12Å
390	K	91.9	Very high	88.3	Confident	106 Å²	106	39.4 Å²	39.4	46%	0.461	21%	0.207	S	C	.	.			trans	-115.3	-37.1	-175.4	-68.7	-176.8	178	-173.4	0	114.9	Q412 I413 T414	K390-Q412 WeakPolarHBondContact CA-O 3.21Å; K390-Q412 HydrophobicContact CG-CB 3.91Å; K390-I413 CarbonylContact O-C 3.59Å; K390-I413 WeakPolarHBondContact O-CA 3.31Å; K390-T414 PolarHBondContact O-N 3.27Å; K390-T414 PolarHBondContact O-OG1 3.17Å
391	D	90.9	Very high	88.3	Confident	95 Å²	95	41.2 Å²	41.2	51%	0.508	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	145	-177	-59.1	-82.9	0	0	0	107.9	V415	D391-V415 WeakPolarHBondContact CA-O 3.48Å
392	V	92.2	Very high	88.2	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121.1	178.1	-168.2	0	0	0	0	109	I389 F397 I413 V415 I416 K417 V420	I389-V392 HydrophobicContact CG2-CG2 4.4Å; V392-F397 HydrophobicContact CG1-CD2 4.38Å; V392-F397 HydrophobicContact CG1-CE2 3.6Å; V392-F397 HydrophobicContact CG1-CZ 4.43Å; V392-I413 HydrophobicContact CG2-CD1 3.96Å; V392-I413 HydrophobicContact CG2-CG1 4.16Å; V392-I413 HydrophobicContact CG2-CG2 3.93Å; V392-V415 PolarHBondContact N-O 3.1Å; V392-I416 HydrophobicContact CB-CG2 4.37Å; V392-I416 HydrophobicContact CG2-CG1 4.49Å; V392-K417 PolarHBondContact O-N 2.85Å; V392-V420 HydrophobicContact CB-CG1 4.41Å; V392-V420 HydrophobicContact CG1-CG1 3.54Å
393	D	90.1	Very high	88.2	Confident	58 Å²	58	40.3 Å²	40.3	31%	0.31	22%	0.223	S	C	.	.			trans	-106.1	157.4	-171.7	-145.8	-30.1	0	0	0	112.2	S395 D396 K417	D393-S395 PolarHBondContact O-N 2.91Å; D393-D396 PolarHBondContact N-OD2 3.28Å; D393-D396 WeakPolarHBondContact O-CB 3.25Å; D393-D396 PolarHBondContact O-N 2.79Å; D393-K417 WeakPolarHBondContact OD1-CD 3.46Å; D393-K417 WeakPolarHBondContact OD1-CE 3.38Å; D393-K417 IonicContact OD1-NZ 2.74Å; D393-K417 PolarHBondContact OD1-NZ 2.65Å; D393-K417 IonicContact OD2-NZ 2.62Å; D393-K417 PolarHBondContact OD2-NZ 3.38Å
394	I	87.3	Confident	88.2	Confident	60 Å²	60	41.2 Å²	41.2	31%	0.308	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-32.9	-176.3	-54.7	174.2	0	0	0	110.4	D396 T398 K417 G418 V420	I394-D396 PolarHBondContact O-N 2.68Å; I394-T398 WeakPolarHBondContact O-CG2 3.38Å; I394-K417 HydrophobicContact CG1-CB 4.34Å; I394-G418 WeakPolarHBondContact CD1-O 3.4Å; I394-G418 WeakPolarHBondContact CG1-O 3.35Å; I394-V420 HydrophobicContact CG1-CG2 4.16Å
395	S	86.1	Confident	88.2	Confident	62 Å²	62	41.7 Å²	41.7	43%	0.434	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-8.4	176.3	50.5	0	0	0	0	115.3	K375 D393	K375-S395 PolarHBondContact NZ-O 2.82Å; D393-S395 PolarHBondContact O-N 2.91Å
396	D	87.6	Confident	88.4	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.016	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-45.1	-174.4	-68.1	-30.6	0	0	0	111.5	M369 S370 K375 D393 I394	M369-D396 HydrophobicContact CB-CB 3.69Å; M369-D396 VanDerWaalsContact CB-CG 3.42Å; M369-D396 HydrophobicContact CG-CB 4.29Å; S370-D396 PolarHBondContact OG-OD1 2.73Å; K375-D396 PolarHBondContact NZ-O 3.49Å; D393-D396 PolarHBondContact N-OD2 3.28Å; D393-D396 WeakPolarHBondContact O-CB 3.25Å; D393-D396 PolarHBondContact O-N 2.79Å; I394-D396 PolarHBondContact O-N 2.68Å
397	F	88.9	Confident	88.8	Confident	2 Å²	2	41 Å²	41	1%	0.009	22%	0.219	C	C	.	.	S	Bend	trans	-100.8	3.8	-174.1	-62.6	-63.7	0	0	0	116.1	M369 L382 V392 E399 F400 L406 L408 V420 F421 L424	M369-F397 HydrophobicContact CE-CE1 3.67Å; M369-F397 HydrophobicContact CE-CZ 3.92Å; M369-F397 HydrophobicContact CG-CZ 4.48Å; L382-F397 HydrophobicContact CD2-CE1 4.05Å; V392-F397 HydrophobicContact CG1-CD2 4.38Å; V392-F397 HydrophobicContact CG1-CE2 3.6Å; V392-F397 HydrophobicContact CG1-CZ 4.43Å; F397-E399 VanDerWaalsContact C-N 3.25Å; F397-E399 PolarHBondContact O-N 3.24Å; F397-E399 VanDerWaalsContact O-N 3.12Å; F397-F400 HydrophobicContact CD1-CB 4.47Å; F397-F400 HydrophobicContact CD1-CD2 4.3Å; F397-F400 HydrophobicContact CD1-CG 4.46Å; F397-F400 WeakPolarHBondContact O-CB 2.99Å; F397-F400 PolarHBondContact O-N 2.96Å; F397-L406 HydrophobicContact CD1-CD2 4.27Å; F397-L406 HydrophobicContact CE1-CD1 3.8Å; F397-L406 HydrophobicContact CE1-CD2 3.79Å; F397-L406 HydrophobicContact CE1-CG 4.48Å; F397-L406 HydrophobicContact CE2-CD2 4.21Å; F397-L406 HydrophobicContact CZ-CD1 4.12Å; F397-L406 HydrophobicContact CZ-CD2 3.77Å; F397-L408 HydrophobicContact CE2-CD1 4.39Å; F397-L408 HydrophobicContact CZ-CD1 4Å; F397-L408 HydrophobicContact CZ-CD2 4.45Å; F397-V420 HydrophobicContact CD2-CG1 3.74Å; F397-V420 HydrophobicContact CE2-CG1 4Å; F397-F421 AromaticContact CD2-CD1 3.96Å; F397-F421 HydrophobicContact CD2-CD1 3.96Å; F397-F421 AromaticContact CD2-CE1 3.92Å; F397-F421 HydrophobicContact CD2-CE1 3.92Å; F397-F421 HydrophobicContact CE2-CD1 4.22Å; F397-F421 AromaticContact CE2-CE1 3.7Å; F397-F421 HydrophobicContact CE2-CE1 3.7Å; F397-L424 HydrophobicContact CB-CD1 4.2Å; F397-L424 HydrophobicContact CB-CD2 4.15Å; F397-L424 HydrophobicContact CB-CG 4.27Å; F397-L424 HydrophobicContact CD1-CD1 4.42Å; F397-L424 HydrophobicContact CG-CD1 4.16Å
398	T	83.3	Confident	88.9	Confident	47 Å²	47	40.8 Å²	40.8	29%	0.288	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-40.7	-177.4	50.6	0	0	0	0	114.4	I394 N423	I394-T398 WeakPolarHBondContact O-CG2 3.38Å; T398-N423 PolarHBondContact O-ND2 2.91Å
399	E	81.8	Confident	88.8	Confident	114 Å²	114	38 Å²	38	53%	0.533	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	8	-175.5	-67.6	167.7	-149.2	0	0	113.4	K375 F397	K375-E399 VanDerWaalsContact CB-OE2 3.31Å; K375-E399 WeakPolarHBondContact CB-OE2 3.32Å; K375-E399 HydrophobicContact CD-CB 4.22Å; K375-E399 HydrophobicContact CD-CG 4.47Å; K375-E399 WeakPolarHBondContact CD-OE2 3.04Å; F397-E399 VanDerWaalsContact C-N 3.25Å; F397-E399 PolarHBondContact O-N 3.24Å; F397-E399 VanDerWaalsContact O-N 3.12Å
400	F	85.3	Confident	88.6	Confident	3 Å²	3	41.5 Å²	41.5	1%	0.013	23%	0.227	C	C	.	.			trans	-108.7	25.5	-172.3	-73	-88.7	0	0	0	113.7	K375 P376 A379 L382 F397 G402 L403 L424	K375-F400 HydrophobicContact CD-CE2 3.98Å; K375-F400 HydrophobicContact CG-CE2 4.22Å; P376-F400 HydrophobicContact CG-CE1 4.01Å; P376-F400 HydrophobicContact CG-CZ 4.36Å; A379-F400 HydrophobicContact CB-CD1 3.9Å; A379-F400 HydrophobicContact CB-CE1 4.11Å; L382-F400 HydrophobicContact CD2-CD1 4Å; L382-F400 HydrophobicContact CD2-CE1 3.71Å; L382-F400 HydrophobicContact CD2-CZ 4.11Å; F397-F400 HydrophobicContact CD1-CB 4.47Å; F397-F400 HydrophobicContact CD1-CD2 4.3Å; F397-F400 HydrophobicContact CD1-CG 4.46Å; F397-F400 WeakPolarHBondContact O-CB 2.99Å; F397-F400 PolarHBondContact O-N 2.96Å; F400-G402 PolarHBondContact O-N 3.28Å; F400-L403 HydrophobicContact CB-CD1 3.76Å; F400-L403 HydrophobicContact CB-CG 4.02Å; F400-L403 HydrophobicContact CD1-CD1 4.08Å; F400-L403 HydrophobicContact CD1-CD2 4.44Å; F400-L403 HydrophobicContact CD1-CG 4.28Å; F400-L403 HydrophobicContact CG-CD1 4.25Å; F400-L403 WeakPolarHBondContact O-CG 3.44Å; F400-L403 PolarHBondContact O-N 3.14Å; F400-L424 HydrophobicContact CB-CD2 3.98Å; F400-L424 WeakPolarHBondContact O-CD2 2.96Å
401	E	84.6	Confident	88.6	Confident	112 Å²	112	37 Å²	37	52%	0.523	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-26.1	-176.2	-62.5	176.9	175.7	0	0	115.1	N423 N426	E401-N423 HydrophobicContact CG-CB 4Å; E401-N423 WeakPolarHBondContact CG-ND2 3.35Å; E401-N423 PolarHBondContact OE1-ND2 3.33Å; E401-N426 PolarHBondContact O-ND2 2.99Å
402	G	84.4	Confident	88.8	Confident	33 Å²	33	35.3 Å²	35.3	34%	0.34	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	0.4	-179.2	0	0	0	0	0	116.5	A379 F400	A379-G402 CarbonylContact O-C 3.28Å; F400-G402 PolarHBondContact O-N 3.28Å
403	L	89.5	Confident	88.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.197	C	C	.	.			trans	-66.6	134	-176.2	-72.8	178.6	0	0	0	113	A379 L382 F400 L406 L424 N426 L427	A379-L403 HydrophobicContact CB-CD2 4.06Å; A379-L403 PolarHBondContact O-N 2.8Å; L382-L403 HydrophobicContact CB-CD1 4.15Å; L382-L403 HydrophobicContact CB-CD2 3.75Å; L382-L403 HydrophobicContact CD2-CD1 4.26Å; F400-L403 HydrophobicContact CB-CD1 3.76Å; F400-L403 HydrophobicContact CB-CG 4.02Å; F400-L403 HydrophobicContact CD1-CD1 4.08Å; F400-L403 HydrophobicContact CD1-CD2 4.44Å; F400-L403 HydrophobicContact CD1-CG 4.28Å; F400-L403 HydrophobicContact CG-CD1 4.25Å; F400-L403 WeakPolarHBondContact O-CG 3.44Å; F400-L403 PolarHBondContact O-N 3.14Å; L403-L406 HydrophobicContact CD1-CB 4.46Å; L403-L406 HydrophobicContact CD1-CD1 4.41Å; L403-L424 HydrophobicContact CB-CD2 4.4Å; L403-L424 HydrophobicContact CD1-CD1 4.45Å; L403-L424 HydrophobicContact CD1-CD2 4.13Å; L403-N426 CarbonylContact O-C 3.33Å; L403-N426 WeakPolarHBondContact O-CB 3.21Å; L403-L427 HydrophobicContact CB-CD1 3.8Å; L403-L427 WeakPolarHBondContact O-CA 3.48Å; L403-L427 PolarHBondContact O-N 3.29Å; L403-L427 VanDerWaalsContact O-N 3.08Å
404	D	87.2	Confident	89.1	Confident	52 Å²	52	35.4 Å²	35.4	28%	0.278	20%	0.2	S	C	.	.	S	Bend	trans	-103.1	-33.1	169.6	176.2	73.5	0	0	0	111	K380 R428 R429	K380-D404 PolarHBondContact O-N 3.44Å; D404-R428 PolarHBondContact O-N 3.49Å; D404-R428 WeakPolarHBondContact OD1-CD 3.14Å; D404-R428 VanDerWaalsContact OD1-CG 3.27Å; D404-R428 WeakPolarHBondContact OD1-CG 3.4Å; D404-R428 IonicContact OD1-NE 3.08Å; D404-R428 PolarHBondContact OD1-NE 3.08Å; D404-R429 PolarHBondContact O-N 3.35Å; D404-R429 VanDerWaalsContact O-N 3.14Å
405	L	89.9	Confident	89.2	Confident	9 Å²	9	35.9 Å²	35.9	5%	0.047	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	128.6	179.2	-174.1	159.3	0	0	0	112	K380 K381 L382 H407 R429 Y431	K380-L405 PolarHBondContact O-N 3.08Å; K381-L405 HydrophobicContact CG-CB 4.37Å; L382-L405 PolarHBondContact N-O 3.15Å; L405-H407 HydrophobicContact CD2-CB 3.93Å; L405-R429 HydrophobicContact CB-CB 4.47Å; L405-R429 HydrophobicContact CD1-CB 4.5Å; L405-R429 HydrophobicContact CG-CB 4.16Å; L405-Y431 HydrophobicContact CD1-CE2 4.47Å; L405-Y431 HydrophobicContact CG-CE2 4.34Å
406	L	94	Very high	89.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118.2	174.6	177.3	56.4	0	0	0	110.3	L382 V384 F397 L403 L408 F421 L424 L427 R429 L430 Y431	L382-L406 HydrophobicContact CB-CD1 4.1Å; L382-L406 HydrophobicContact CD2-CD1 3.91Å; L382-L406 HydrophobicContact CG-CD1 4.06Å; V384-L406 HydrophobicContact CG2-CD1 4.46Å; F397-L406 HydrophobicContact CD1-CD2 4.27Å; F397-L406 HydrophobicContact CE1-CD1 3.8Å; F397-L406 HydrophobicContact CE1-CD2 3.79Å; F397-L406 HydrophobicContact CE1-CG 4.48Å; F397-L406 HydrophobicContact CE2-CD2 4.21Å; F397-L406 HydrophobicContact CZ-CD1 4.12Å; F397-L406 HydrophobicContact CZ-CD2 3.77Å; L403-L406 HydrophobicContact CD1-CB 4.46Å; L403-L406 HydrophobicContact CD1-CD1 4.41Å; L406-L408 HydrophobicContact CD1-CD1 4.24Å; L406-L408 HydrophobicContact CD1-CG 4.13Å; L406-L408 HydrophobicContact CD2-CD1 3.91Å; L406-L408 HydrophobicContact CG-CD1 3.95Å; L406-L408 HydrophobicContact CG-CG 4.22Å; L406-F421 HydrophobicContact CD2-CD1 4.29Å; L406-F421 HydrophobicContact CD2-CE1 3.88Å; L406-L424 HydrophobicContact CD2-CD1 3.76Å; L406-L427 HydrophobicContact CB-CD1 3.74Å; L406-L427 HydrophobicContact CB-CD2 4.17Å; L406-R429 PolarHBondContact N-O 3.48Å; L406-L430 HydrophobicContact CB-CD1 4.12Å; L406-L430 HydrophobicContact CD2-CD1 3.97Å; L406-L430 HydrophobicContact CG-CD1 4Å; L406-Y431 PolarHBondContact O-N 3.11Å
407	H	90.8	Very high	89.7	Confident	40 Å²	40	36.9 Å²	36.9	19%	0.185	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	92.2	-173.9	-169.4	-96.5	0	0	0	111.2	L382 V384 N385 L405 Y431	L382-H407 PolarHBondContact O-N 2.92Å; V384-H407 CarbonylContact C-O 3.39Å; V384-H407 WeakPolarHBondContact CG2-O 3.41Å; V384-H407 PolarHBondContact N-O 2.97Å; N385-H407 VanDerWaalsContact CB-ND1 3.31Å; N385-H407 WeakPolarHBondContact CB-ND1 3.45Å; N385-H407 PolarHBondContact N-O 2.82Å; N385-H407 PolarHBondContact OD1-CE1 2.98Å; N385-H407 PolarHBondContact OD1-ND1 2.87Å; L405-H407 HydrophobicContact CD2-CB 3.93Å; H407-Y431 HydrophobicContact CB-CD2 4.33Å; H407-Y431 VanDerWaalsContact CD2-CB 3.49Å; H407-Y431 WeakPolarHBondContact CD2-CB 3.28Å; H407-Y431 AromaticContact CD2-CD1 3.78Å; H407-Y431 AromaticContact CD2-CD2 3.54Å; H407-Y431 AromaticContact CD2-CG 3.36Å
408	L	94.4	Very high	89.7	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.21	C	C	.	.			trans	-100.4	4.3	-179.5	-77.7	158.6	0	0	0	113.1	M369 V384 I389 F397 L406 N411 I413 F421 Y431 L432 N435	M369-L408 HydrophobicContact SD-CD2 4.2Å; V384-L408 HydrophobicContact CG2-CD2 3.49Å; V384-L408 VanDerWaalsContact CG2-CD2 3.49Å; V384-L408 HydrophobicContact CG2-CG 3.91Å; I389-L408 HydrophobicContact CD1-CD2 4.4Å; F397-L408 HydrophobicContact CE2-CD1 4.39Å; F397-L408 HydrophobicContact CZ-CD1 4Å; F397-L408 HydrophobicContact CZ-CD2 4.45Å; L406-L408 HydrophobicContact CD1-CD1 4.24Å; L406-L408 HydrophobicContact CD1-CG 4.13Å; L406-L408 HydrophobicContact CD2-CD1 3.91Å; L406-L408 HydrophobicContact CG-CD1 3.95Å; L406-L408 HydrophobicContact CG-CG 4.22Å; L408-N411 PolarHBondContact O-ND2 3.08Å; L408-I413 HydrophobicContact CB-CD1 4.11Å; L408-I413 HydrophobicContact CD2-CD1 4.11Å; L408-F421 HydrophobicContact CD1-CE1 4.4Å; L408-F421 HydrophobicContact CD1-CZ 4.47Å; L408-Y431 CarbonylContact C-O 3.56Å; L408-Y431 WeakPolarHBondContact CA-O 3Å; L408-Y431 WeakPolarHBondContact CB-O 3.41Å; L408-Y431 PolarHBondContact N-O 3.37Å; L408-L432 HydrophobicContact CB-CD2 3.9Å; L408-L432 HydrophobicContact CD1-CD2 3.82Å; L408-N435 PolarHBondContact O-ND2 3.02Å; L408-N435 VanDerWaalsContact O-ND2 3.15Å
409	G	90.5	Very high	90	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.219	C	C	.	.			trans	-60.4	159.9	-176.5	0	0	0	0	0	114.3	N385 N411 Y431 N433	N385-G409 WeakPolarHBondContact CA-O 2.85Å; N385-G409 WeakPolarHBondContact CB-O 3.43Å; G409-N411 PolarHBondContact O-N 2.04Å; G409-N411 PolarHBondContact O-ND2 3.29Å; G409-Y431 PolarHBondContact N-O 3.1Å; G409-N433 CarbonylContact C-O 3.09Å; G409-N433 WeakPolarHBondContact CA-O 3.4Å; G409-N433 WeakPolarHBondContact CA-OD1 3.44Å
410	S	90.1	Very high	90.5	Very high	74 Å²	74	34.9 Å²	34.9	52%	0.517	20%	0.195	S	C	.	.	S	Bend	trans	51	53.3	-178.8	-56.4	0	0	0	0	112.9	G386 N433 G434	G386-S410 VanDerWaalsContact CA-O 3.27Å; G386-S410 WeakPolarHBondContact CA-O 3.33Å; G386-S410 PolarHBondContact N-O 2.84Å; S410-N433 PolarHBondContact N-O 3.08Å; S410-G434 WeakPolarHBondContact CA-O 3.16Å
411	N	92.4	Very high	90.8	Very high	11 Å²	11	34.8 Å²	34.8	6%	0.059	19%	0.194	C	C	.	.	S	Bend	trans	-118.8	-164	170.6	-89.4	-85.5	0	0	0	109	V384 N387 I389 L408 G409 I413 N435	V384-N411 PolarHBondContact O-ND2 3.15Å; N387-N411 WeakPolarHBondContact CA-OD1 3.4Å; N387-N411 WeakPolarHBondContact CB-OD1 3.27Å; N387-N411 WeakPolarHBondContact O-CA 3.44Å; N387-N411 PolarHBondContact O-OD1 3.32Å; N387-N411 VanDerWaalsContact O-OD1 3.06Å; I389-N411 HydrophobicContact CB-CB 4.39Å; I389-N411 WeakPolarHBondContact CB-OD1 3.5Å; I389-N411 WeakPolarHBondContact CG1-OD1 3.43Å; I389-N411 PolarHBondContact N-OD1 3.01Å; I389-N411 VanDerWaalsContact N-OD1 3.14Å; L408-N411 PolarHBondContact O-ND2 3.08Å; G409-N411 PolarHBondContact O-N 2.04Å; G409-N411 PolarHBondContact O-ND2 3.29Å; N411-I413 HydrophobicContact CB-CD1 4.12Å; N411-I413 HydrophobicContact CB-CG1 3.96Å; N411-N435 VanDerWaalsContact CA-OD1 3.28Å; N411-N435 WeakPolarHBondContact CA-OD1 3.49Å; N411-N435 WeakPolarHBondContact CB-OD1 3.29Å; N411-N435 PolarHBondContact N-OD1 3.1Å; N411-N435 PolarHBondContact O-OD1 2.92Å
412	Q	94.1	Very high	91.1	Very high	61 Å²	61	32.9 Å²	32.9	29%	0.285	19%	0.185	S	C	.	.			trans	-113	27.6	176.5	-62	178.5	32.5	0	0	111.3	N388 I389 K390 T414 N435	N388-Q412 PolarHBondContact OD1-NE2 2.95Å; I389-Q412 CarbonylContact O-C 3.58Å; I389-Q412 VanDerWaalsContact O-CA 3.29Å; I389-Q412 WeakPolarHBondContact O-CA 3.41Å; I389-Q412 PolarHBondContact O-N 2.73Å; K390-Q412 WeakPolarHBondContact CA-O 3.21Å; K390-Q412 HydrophobicContact CG-CB 3.91Å; Q412-T414 PolarHBondContact O-N 2.96Å; Q412-N435 PolarHBondContact N-OD1 2.75Å
413	I	95.6	Very high	91.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.			trans	-67	116.9	-169.4	-60.2	166.7	0	0	0	109.8	I389 K390 V392 L408 N411 I416 N435 Q436 I437	I389-I413 HydrophobicContact CB-CG1 4.42Å; I389-I413 HydrophobicContact CG2-CG1 4.18Å; I389-I413 PolarHBondContact O-N 3.35Å; I389-I413 VanDerWaalsContact O-N 3.12Å; K390-I413 CarbonylContact O-C 3.59Å; K390-I413 WeakPolarHBondContact O-CA 3.31Å; V392-I413 HydrophobicContact CG2-CD1 3.96Å; V392-I413 HydrophobicContact CG2-CG1 4.16Å; V392-I413 HydrophobicContact CG2-CG2 3.93Å; L408-I413 HydrophobicContact CB-CD1 4.11Å; L408-I413 HydrophobicContact CD2-CD1 4.11Å; N411-I413 HydrophobicContact CB-CD1 4.12Å; N411-I413 HydrophobicContact CB-CG1 3.96Å; I413-I416 HydrophobicContact CG2-CD1 4.46Å; I413-I416 HydrophobicContact CG2-CG1 3.73Å; I413-N435 HydrophobicContact CB-CB 4.16Å; I413-N435 WeakPolarHBondContact CB-OD1 3.23Å; I413-N435 WeakPolarHBondContact CG1-OD1 3.5Å; I413-N435 PolarHBondContact N-OD1 3.04Å; I413-Q436 CarbonylContact O-C 3.59Å; I413-Q436 WeakPolarHBondContact O-CA 3.42Å; I413-Q436 PolarHBondContact O-N 3.48Å; I413-I437 HydrophobicContact CG2-CG1 4.33Å; I413-I437 PolarHBondContact O-N 3.3Å
414	T	93.1	Very high	91.3	Very high	60 Å²	60	33.3 Å²	33.3	37%	0.368	18%	0.179	S	C	.	.			trans	-105.7	-36.4	175.4	54	0	0	0	0	111.7	K390 Q412 Q436	K390-T414 PolarHBondContact O-N 3.27Å; K390-T414 PolarHBondContact O-OG1 3.17Å; Q412-T414 PolarHBondContact O-N 2.96Å; T414-Q436 HydrophobicContact CG2-CB 3.71Å
415	V	90.3	Very high	91.5	Very high	70 Å²	70	33.5 Å²	33.5	42%	0.424	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	115.4	-178.9	-174.7	0	0	0	0	110.7	D391 V392	D391-V415 WeakPolarHBondContact CA-O 3.48Å; V392-V415 PolarHBondContact N-O 3.1Å
416	I	93.4	Very high	91.5	Very high	5 Å²	5	37 Å²	37	3%	0.026	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	131.5	158.5	-49.2	173.1	0	0	0	106	V392 I413 V420 F421 L432 I437 Y441 I444	V392-I416 HydrophobicContact CB-CG2 4.37Å; V392-I416 HydrophobicContact CG2-CG1 4.49Å; I413-I416 HydrophobicContact CG2-CD1 4.46Å; I413-I416 HydrophobicContact CG2-CG1 3.73Å; I416-V420 HydrophobicContact CG2-CB 4.04Å; I416-V420 HydrophobicContact CG2-CG1 4.06Å; I416-V420 HydrophobicContact CG2-CG2 4.13Å; I416-F421 HydrophobicContact CG2-CE2 4.25Å; I416-F421 HydrophobicContact CG2-CZ 4.33Å; I416-L432 HydrophobicContact CD1-CD1 3.8Å; I416-L432 HydrophobicContact CD1-CD2 3.88Å; I416-L432 HydrophobicContact CD1-CG 4.47Å; I416-I437 HydrophobicContact CD1-CD1 3.78Å; I416-I437 HydrophobicContact CD1-CG1 4.45Å; I416-Y441 PolarHBondContact O-OH 2.91Å; I416-I444 HydrophobicContact CB-CG2 4.31Å; I416-I444 HydrophobicContact CD1-CG2 4.44Å; I416-I444 HydrophobicContact CG2-CG2 3.9Å
417	K	90.4	Very high	91.5	Very high	81 Å²	81	37 Å²	37	35%	0.352	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-76.6	161.7	173.5	-64	-173.2	-166.7	175.6	0	111.7	V392 D393 I394 V420 Y441	V392-K417 PolarHBondContact O-N 2.85Å; D393-K417 WeakPolarHBondContact OD1-CD 3.46Å; D393-K417 WeakPolarHBondContact OD1-CE 3.38Å; D393-K417 IonicContact OD1-NZ 2.74Å; D393-K417 PolarHBondContact OD1-NZ 2.65Å; D393-K417 IonicContact OD2-NZ 2.62Å; D393-K417 PolarHBondContact OD2-NZ 3.38Å; I394-K417 HydrophobicContact CG1-CB 4.34Å; K417-V420 HydrophobicContact CB-CG2 3.66Å; K417-V420 WeakPolarHBondContact O-CG2 3.41Å; K417-Y441 VanDerWaalsContact C-OH 3.24Å; K417-Y441 WeakPolarHBondContact CA-OH 3.33Å
418	G	89.3	Confident	91.4	Very high	17 Å²	17	40.8 Å²	40.8	18%	0.175	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	150.2	166.3	0	0	0	0	0	111.3	I394 V420 Y441	I394-G418 WeakPolarHBondContact CD1-O 3.4Å; I394-G418 WeakPolarHBondContact CG1-O 3.35Å; G418-V420 PolarHBondContact O-N 2.93Å; G418-V420 VanDerWaalsContact O-N 3.09Å; G418-Y441 PolarHBondContact N-OH 3.06Å
419	E	89.4	Confident	91.3	Very high	102 Å²	102	44.5 Å²	44.5	48%	0.477	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	6.5	177.4	-57	179.3	165	0	0	115.6	F421 H422 E443	E419-F421 PolarHBondContact O-N 3.15Å; E419-H422 HydrophobicContact CB-CB 4.35Å; E419-H422 VanDerWaalsContact O-CB 3.3Å; E419-H422 WeakPolarHBondContact O-CB 3.45Å; E419-H422 PolarHBondContact O-CD2 2.79Å; E419-H422 PolarHBondContact O-N 3.26Å; E419-E443 WeakPolarHBondContact CA-O 3.44Å; E419-E443 PolarHBondContact N-O 2.79Å
420	V	91.3	Very high	91.5	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.018	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-30.7	179.7	164.9	0	0	0	0	113.8	V392 I394 F397 I416 K417 G418	V392-V420 HydrophobicContact CB-CG1 4.41Å; V392-V420 HydrophobicContact CG1-CG1 3.54Å; I394-V420 HydrophobicContact CG1-CG2 4.16Å; F397-V420 HydrophobicContact CD2-CG1 3.74Å; F397-V420 HydrophobicContact CE2-CG1 4Å; I416-V420 HydrophobicContact CG2-CB 4.04Å; I416-V420 HydrophobicContact CG2-CG1 4.06Å; I416-V420 HydrophobicContact CG2-CG2 4.13Å; K417-V420 HydrophobicContact CB-CG2 3.66Å; K417-V420 WeakPolarHBondContact O-CG2 3.41Å; G418-V420 PolarHBondContact O-N 2.93Å; G418-V420 VanDerWaalsContact O-N 3.09Å
421	F	92.6	Very high	91.7	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	11.2	179.9	-53.7	-52.3	0	0	0	114.1	F397 L406 L408 I416 E419 N423 L424 L430 L432 I444 F445 S446 L448	F397-F421 AromaticContact CD2-CD1 3.96Å; F397-F421 HydrophobicContact CD2-CD1 3.96Å; F397-F421 AromaticContact CD2-CE1 3.92Å; F397-F421 HydrophobicContact CD2-CE1 3.92Å; F397-F421 HydrophobicContact CE2-CD1 4.22Å; F397-F421 AromaticContact CE2-CE1 3.7Å; F397-F421 HydrophobicContact CE2-CE1 3.7Å; L406-F421 HydrophobicContact CD2-CD1 4.29Å; L406-F421 HydrophobicContact CD2-CE1 3.88Å; L408-F421 HydrophobicContact CD1-CE1 4.4Å; L408-F421 HydrophobicContact CD1-CZ 4.47Å; I416-F421 HydrophobicContact CG2-CE2 4.25Å; I416-F421 HydrophobicContact CG2-CZ 4.33Å; E419-F421 PolarHBondContact O-N 3.15Å; F421-N423 PolarHBondContact O-N 2.86Å; F421-L424 HydrophobicContact CB-CD1 4.34Å; F421-L424 HydrophobicContact CD1-CD1 3.72Å; F421-L424 HydrophobicContact CG-CD1 4.44Å; F421-L424 WeakPolarHBondContact O-CB 3.43Å; F421-L424 PolarHBondContact O-N 3Å; F421-L430 HydrophobicContact CD2-CD2 4.22Å; F421-L430 HydrophobicContact CE2-CD2 3.91Å; F421-L430 HydrophobicContact CZ-CD1 4.35Å; F421-L430 HydrophobicContact CZ-CD2 4.21Å; F421-L432 HydrophobicContact CE2-CD1 4.45Å; F421-I444 HydrophobicContact CD2-CG2 4.4Å; F421-I444 VanDerWaalsContact CD2-O 3.26Å; F421-I444 WeakPolarHBondContact CD2-O 3.44Å; F421-I444 HydrophobicContact CE2-CG2 4.09Å; F421-F445 HydrophobicContact CD2-CD1 4.3Å; F421-F445 HydrophobicContact CE2-CD1 4.4Å; F421-F445 HydrophobicContact CE2-CE1 4.46Å; F421-S446 CarbonylContact C-O 3.34Å; F421-L448 HydrophobicContact CB-CD1 3.99Å; F421-L448 HydrophobicContact CB-CD2 3.78Å; F421-L448 HydrophobicContact CB-CG 3.79Å; F421-L448 HydrophobicContact CD2-CD1 3.89Å; F421-L448 HydrophobicContact CG-CD1 4.18Å; F421-L448 HydrophobicContact CG-CD2 4.47Å; F421-L448 HydrophobicContact CG-CG 4.5Å
422	H	89.8	Confident	91.9	Very high	72 Å²	72	42.4 Å²	42.4	33%	0.333	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-31.2	-170.3	77.8	69	0	0	0	114.5	E419 S446	E419-H422 HydrophobicContact CB-CB 4.35Å; E419-H422 VanDerWaalsContact O-CB 3.3Å; E419-H422 WeakPolarHBondContact O-CB 3.45Å; E419-H422 PolarHBondContact O-CD2 2.79Å; E419-H422 PolarHBondContact O-N 3.26Å; H422-S446 WeakPolarHBondContact CA-O 3.49Å; H422-S446 PolarHBondContact N-O 3.03Å
423	N	87.7	Confident	91.8	Very high	41 Å²	41	41 Å²	41	22%	0.219	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-12.2	-179.6	-102.2	20.1	0	0	0	113.5	T398 E401 F421 T425	T398-N423 PolarHBondContact O-ND2 2.91Å; E401-N423 HydrophobicContact CG-CB 4Å; E401-N423 WeakPolarHBondContact CG-ND2 3.35Å; E401-N423 PolarHBondContact OE1-ND2 3.33Å; F421-N423 PolarHBondContact O-N 2.86Å; N423-T425 PolarHBondContact O-N 3.44Å
424	L	91.6	Very high	91.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.			trans	-83.9	45	-172.9	-57.2	-169.2	0	0	0	112.7	F397 F400 L403 L406 F421 N426 L427 L448	F397-L424 HydrophobicContact CB-CD1 4.2Å; F397-L424 HydrophobicContact CB-CD2 4.15Å; F397-L424 HydrophobicContact CB-CG 4.27Å; F397-L424 HydrophobicContact CD1-CD1 4.42Å; F397-L424 HydrophobicContact CG-CD1 4.16Å; F400-L424 HydrophobicContact CB-CD2 3.98Å; F400-L424 WeakPolarHBondContact O-CD2 2.96Å; L403-L424 HydrophobicContact CB-CD2 4.4Å; L403-L424 HydrophobicContact CD1-CD1 4.45Å; L403-L424 HydrophobicContact CD1-CD2 4.13Å; L406-L424 HydrophobicContact CD2-CD1 3.76Å; F421-L424 HydrophobicContact CB-CD1 4.34Å; F421-L424 HydrophobicContact CD1-CD1 3.72Å; F421-L424 HydrophobicContact CG-CD1 4.44Å; F421-L424 WeakPolarHBondContact O-CB 3.43Å; F421-L424 PolarHBondContact O-N 3Å; L424-N426 PolarHBondContact O-N 2.93Å; L424-N426 VanDerWaalsContact O-N 3.14Å; L424-L427 HydrophobicContact CB-CB 4.11Å; L424-L427 HydrophobicContact CB-CD2 4.43Å; L424-L427 HydrophobicContact CD1-CD2 4.19Å; L424-L427 WeakPolarHBondContact O-CB 3.33Å; L424-L427 PolarHBondContact O-N 3.15Å; L424-L448 HydrophobicContact CB-CD2 3.93Å
425	T	90.1	Very high	91.6	Very high	57 Å²	57	39.9 Å²	39.9	35%	0.35	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.4	-174.2	58	0	0	0	0	114.1	N423 G447 N450	N423-T425 PolarHBondContact O-N 3.44Å; T425-G447 WeakPolarHBondContact CA-O 3.46Å; T425-N450 WeakPolarHBondContact O-CB 3.39Å; T425-N450 PolarHBondContact O-ND2 2.99Å
426	N	90.1	Very high	91.9	Very high	81 Å²	81	40.8 Å²	40.8	43%	0.433	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-8.7	177.9	-67	-69.5	0	0	0	114.1	E401 L403 L424 R428	E401-N426 PolarHBondContact O-ND2 2.99Å; L403-N426 CarbonylContact O-C 3.33Å; L403-N426 WeakPolarHBondContact O-CB 3.21Å; L424-N426 PolarHBondContact O-N 2.93Å; L424-N426 VanDerWaalsContact O-N 3.14Å; N426-R428 PolarHBondContact O-N 3.15Å
427	L	94.1	Very high	92	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.			trans	-69.6	126.3	-168.2	-164.8	76.7	0	0	0	111.5	L403 L406 L424 L430 L448 N450 L451	L403-L427 HydrophobicContact CB-CD1 3.8Å; L403-L427 WeakPolarHBondContact O-CA 3.48Å; L403-L427 PolarHBondContact O-N 3.29Å; L403-L427 VanDerWaalsContact O-N 3.08Å; L406-L427 HydrophobicContact CB-CD1 3.74Å; L406-L427 HydrophobicContact CB-CD2 4.17Å; L424-L427 HydrophobicContact CB-CB 4.11Å; L424-L427 HydrophobicContact CB-CD2 4.43Å; L424-L427 HydrophobicContact CD1-CD2 4.19Å; L424-L427 WeakPolarHBondContact O-CB 3.33Å; L424-L427 PolarHBondContact O-N 3.15Å; L427-L430 HydrophobicContact CD2-CB 4Å; L427-L430 HydrophobicContact CD2-CD1 4.32Å; L427-L448 HydrophobicContact CB-CD2 4Å; L427-L448 HydrophobicContact CD2-CD2 3.64Å; L427-L448 HydrophobicContact CG-CD2 4.43Å; L427-N450 CarbonylContact O-C 3.14Å; L427-L451 HydrophobicContact CB-CD1 4.4Å; L427-L451 HydrophobicContact CD2-CD1 3.96Å; L427-L451 HydrophobicContact CG-CD1 4Å; L427-L451 WeakPolarHBondContact O-CA 3.48Å; L427-L451 PolarHBondContact O-N 3.32Å; L427-L451 VanDerWaalsContact O-N 3.07Å
428	R	90.1	Very high	92.2	Very high	121 Å²	121	40.7 Å²	40.7	46%	0.457	20%	0.202	S	C	.	.			trans	-105	-31.5	178	-61.3	-173.1	-167.8	-143.1	-4.8	113.5	D404 N426 Q452 Y453	D404-R428 PolarHBondContact O-N 3.49Å; D404-R428 WeakPolarHBondContact OD1-CD 3.14Å; D404-R428 VanDerWaalsContact OD1-CG 3.27Å; D404-R428 WeakPolarHBondContact OD1-CG 3.4Å; D404-R428 IonicContact OD1-NE 3.08Å; D404-R428 PolarHBondContact OD1-NE 3.08Å; N426-R428 PolarHBondContact O-N 3.15Å; R428-Q452 PolarHBondContact O-N 3.23Å; R428-Y453 PolarHBondContact O-N 2.83Å
429	R	90.9	Very high	92.4	Very high	78 Å²	78	47.1 Å²	47.1	29%	0.294	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118.2	-175.4	-62.6	177.7	178.8	-177.2	1.9	110.6	E239 D404 L405 L406 Y431 Y453	E239-R429 IonicContact OE1-NH1 2.69Å; E239-R429 PolarHBondContact OE1-NH1 3.34Å; D404-R429 PolarHBondContact O-N 3.35Å; D404-R429 VanDerWaalsContact O-N 3.14Å; L405-R429 HydrophobicContact CB-CB 4.47Å; L405-R429 HydrophobicContact CD1-CB 4.5Å; L405-R429 HydrophobicContact CG-CB 4.16Å; L406-R429 PolarHBondContact N-O 3.48Å; R429-Y431 HydrophobicContact CB-CE2 3.84Å; R429-Y453 HydrophobicContact CG-CD2 3.86Å; R429-Y453 HydrophobicContact CG-CG 4.38Å
430	L	96.3	Very high	92.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123	176.7	177.7	56.7	0	0	0	110	L406 F421 L427 L432 F445 L448 L451 Y453 L454 Y455	L406-L430 HydrophobicContact CB-CD1 4.12Å; L406-L430 HydrophobicContact CD2-CD1 3.97Å; L406-L430 HydrophobicContact CG-CD1 4Å; F421-L430 HydrophobicContact CD2-CD2 4.22Å; F421-L430 HydrophobicContact CE2-CD2 3.91Å; F421-L430 HydrophobicContact CZ-CD1 4.35Å; F421-L430 HydrophobicContact CZ-CD2 4.21Å; L427-L430 HydrophobicContact CD2-CB 4Å; L427-L430 HydrophobicContact CD2-CD1 4.32Å; L430-L432 HydrophobicContact CD1-CD1 4.44Å; L430-L432 HydrophobicContact CD1-CG 4.16Å; L430-L432 HydrophobicContact CD2-CD1 4.03Å; L430-L432 HydrophobicContact CG-CD1 4.14Å; L430-L432 HydrophobicContact CG-CG 4.18Å; L430-F445 HydrophobicContact CD2-CD1 4.32Å; L430-F445 HydrophobicContact CD2-CE1 4.18Å; L430-L448 HydrophobicContact CD2-CD1 3.77Å; L430-L451 HydrophobicContact CB-CD1 3.69Å; L430-L451 HydrophobicContact CB-CD2 4.11Å; L430-Y453 PolarHBondContact N-O 2.87Å; L430-L454 HydrophobicContact CB-CD1 4.14Å; L430-L454 HydrophobicContact CD2-CD1 3.99Å; L430-L454 HydrophobicContact CG-CD1 4.01Å; L430-Y455 PolarHBondContact O-N 3.18Å
431	Y	93.6	Very high	92.8	Very high	40 Å²	40	45.4 Å²	45.4	16%	0.157	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	115.7	178.1	-55.3	-109.6	0	0	0	110.3	L405 L406 H407 L408 G409 R429 Y455	L405-Y431 HydrophobicContact CD1-CE2 4.47Å; L405-Y431 HydrophobicContact CG-CE2 4.34Å; L406-Y431 PolarHBondContact O-N 3.11Å; H407-Y431 HydrophobicContact CB-CD2 4.33Å; H407-Y431 VanDerWaalsContact CD2-CB 3.49Å; H407-Y431 WeakPolarHBondContact CD2-CB 3.28Å; H407-Y431 AromaticContact CD2-CD1 3.78Å; H407-Y431 AromaticContact CD2-CD2 3.54Å; H407-Y431 AromaticContact CD2-CG 3.36Å; L408-Y431 CarbonylContact C-O 3.56Å; L408-Y431 WeakPolarHBondContact CA-O 3Å; L408-Y431 WeakPolarHBondContact CB-O 3.41Å; L408-Y431 PolarHBondContact N-O 3.37Å; G409-Y431 PolarHBondContact N-O 3.1Å; R429-Y431 HydrophobicContact CB-CE2 3.84Å; Y431-Y455 HydrophobicContact CD1-CD1 4.49Å; Y431-Y455 AromaticContact CD1-CD2 3.24Å; Y431-Y455 HydrophobicContact CD1-CD2 3.24Å; Y431-Y455 AromaticContact CD1-CE2 3.85Å; Y431-Y455 HydrophobicContact CD1-CE2 3.85Å; Y431-Y455 AromaticContact CD1-CG 3.62Å; Y431-Y455 HydrophobicContact CD1-CG 3.62Å; Y431-Y455 HydrophobicContact CD2-CD2 4.35Å; Y431-Y455 AromaticContact CE1-CD2 3.28Å; Y431-Y455 HydrophobicContact CE1-CD2 3.28Å; Y431-Y455 AromaticContact CE1-CE2 3.33Å; Y431-Y455 HydrophobicContact CE1-CE2 3.33Å; Y431-Y455 AromaticContact CE1-CG 3.91Å; Y431-Y455 HydrophobicContact CE1-CG 3.91Å; Y431-Y455 HydrophobicContact CE2-CD2 4.39Å; Y431-Y455 HydrophobicContact CE2-CE2 4.42Å; Y431-Y455 AromaticContact CG-CD2 3.82Å; Y431-Y455 HydrophobicContact CG-CD2 3.82Å; Y431-Y455 HydrophobicContact CG-CG 4.38Å; Y431-Y455 AromaticContact CZ-CD2 3.89Å; Y431-Y455 AromaticContact CZ-CE2 3.66Å
432	L	96	Very high	92.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.222	C	C	.	.			trans	-122	11.3	177.1	-70.2	167.8	0	0	0	111.3	L408 I416 F421 L430 N435 I437 F445 Y455 L456 N459	L408-L432 HydrophobicContact CB-CD2 3.9Å; L408-L432 HydrophobicContact CD1-CD2 3.82Å; I416-L432 HydrophobicContact CD1-CD1 3.8Å; I416-L432 HydrophobicContact CD1-CD2 3.88Å; I416-L432 HydrophobicContact CD1-CG 4.47Å; F421-L432 HydrophobicContact CE2-CD1 4.45Å; L430-L432 HydrophobicContact CD1-CD1 4.44Å; L430-L432 HydrophobicContact CD1-CG 4.16Å; L430-L432 HydrophobicContact CD2-CD1 4.03Å; L430-L432 HydrophobicContact CG-CD1 4.14Å; L430-L432 HydrophobicContact CG-CG 4.18Å; L432-N435 WeakPolarHBondContact O-CB 3.31Å; L432-N435 PolarHBondContact O-ND2 3.37Å; L432-I437 HydrophobicContact CB-CD1 4.08Å; L432-F445 HydrophobicContact CD1-CE1 4.09Å; L432-Y455 CarbonylContact C-O 3.55Å; L432-Y455 WeakPolarHBondContact CA-O 3.37Å; L432-Y455 PolarHBondContact N-O 3.42Å; L432-L456 HydrophobicContact CB-CD2 3.78Å; L432-L456 HydrophobicContact CD1-CD2 3.97Å; L432-N459 PolarHBondContact O-ND2 2.78Å
433	N	92.9	Very high	92.8	Very high	32 Å²	32	48.4 Å²	48.4	17%	0.171	23%	0.228	C	C	.	.			trans	-64.7	151.5	-178	59.5	-12	0	0	0	113.8	G409 S410 N435 Y455 E457	G409-N433 CarbonylContact C-O 3.09Å; G409-N433 WeakPolarHBondContact CA-O 3.4Å; G409-N433 WeakPolarHBondContact CA-OD1 3.44Å; S410-N433 PolarHBondContact N-O 3.08Å; N433-N435 PolarHBondContact O-N 2.76Å; N433-N435 PolarHBondContact O-ND2 3.1Å; N433-Y455 PolarHBondContact N-O 2.92Å; N433-E457 CarbonylContact C-O 3.17Å; N433-E457 WeakPolarHBondContact CA-O 3.37Å; N433-E457 HydrophobicContact CB-CG 3.94Å; N433-E457 WeakPolarHBondContact CB-O 3.3Å; N433-E457 VanDerWaalsContact CB-OE1 3.23Å; N433-E457 WeakPolarHBondContact CB-OE1 3.34Å; N433-E457 PolarHBondContact ND2-OE1 2.92Å
434	G	89.3	Confident	93	Very high	28 Å²	28	46.6 Å²	46.6	29%	0.289	22%	0.218	S	C	.	.	S	Bend	trans	64.2	37.4	-179.7	0	0	0	0	0	113.8	S410 E457 Y458	S410-G434 WeakPolarHBondContact CA-O 3.16Å; G434-E457 PolarHBondContact N-O 3.19Å; G434-Y458 WeakPolarHBondContact CA-O 3.41Å; G434-Y458 PolarHBondContact N-O 3.38Å
435	N	95.1	Very high	93.1	Very high	9 Å²	9	46.6 Å²	46.6	5%	0.048	22%	0.218	C	C	.	.	S	Bend	trans	-116	-166.4	176.2	-83.1	-73.1	0	0	0	110.3	L408 N411 Q412 I413 L432 N433 I437 Y458 N459	L408-N435 PolarHBondContact O-ND2 3.02Å; L408-N435 VanDerWaalsContact O-ND2 3.15Å; N411-N435 VanDerWaalsContact CA-OD1 3.28Å; N411-N435 WeakPolarHBondContact CA-OD1 3.49Å; N411-N435 WeakPolarHBondContact CB-OD1 3.29Å; N411-N435 PolarHBondContact N-OD1 3.1Å; N411-N435 PolarHBondContact O-OD1 2.92Å; Q412-N435 PolarHBondContact N-OD1 2.75Å; I413-N435 HydrophobicContact CB-CB 4.16Å; I413-N435 WeakPolarHBondContact CB-OD1 3.23Å; I413-N435 WeakPolarHBondContact CG1-OD1 3.5Å; I413-N435 PolarHBondContact N-OD1 3.04Å; L432-N435 WeakPolarHBondContact O-CB 3.31Å; L432-N435 PolarHBondContact O-ND2 3.37Å; N433-N435 PolarHBondContact O-N 2.76Å; N433-N435 PolarHBondContact O-ND2 3.1Å; N435-I437 HydrophobicContact CB-CD1 4.36Å; N435-I437 HydrophobicContact CB-CG1 4.25Å; N435-Y458 PolarHBondContact N-O 2.9Å; N435-N459 WeakPolarHBondContact CA-OD1 3.44Å; N435-N459 WeakPolarHBondContact CB-OD1 3.46Å; N435-N459 PolarHBondContact O-OD1 3.25Å
436	Q	95.8	Very high	93.2	Very high	89 Å²	89	45.7 Å²	45.7	42%	0.416	21%	0.214	S	C	.	.			trans	-121	28.9	-175.7	-61.6	-177.5	11.6	0	0	111.9	I413 T414 E438 N459 L460	I413-Q436 CarbonylContact O-C 3.59Å; I413-Q436 WeakPolarHBondContact O-CA 3.42Å; I413-Q436 PolarHBondContact O-N 3.48Å; T414-Q436 HydrophobicContact CG2-CB 3.71Å; Q436-E438 PolarHBondContact O-N 2.88Å; Q436-N459 PolarHBondContact N-OD1 3.3Å; Q436-L460 HydrophobicContact CB-CD1 4.25Å
437	I	96	Very high	93.1	Very high	3 Å²	3	42 Å²	42	2%	0.015	20%	0.195	C	C	.	.			trans	-68.5	123.9	-177.1	-56.7	165.6	0	0	0	109.2	I413 I416 L432 N435 L440 L456 N459 L460 I461	I413-I437 HydrophobicContact CG2-CG1 4.33Å; I413-I437 PolarHBondContact O-N 3.3Å; I416-I437 HydrophobicContact CD1-CD1 3.78Å; I416-I437 HydrophobicContact CD1-CG1 4.45Å; L432-I437 HydrophobicContact CB-CD1 4.08Å; N435-I437 HydrophobicContact CB-CD1 4.36Å; N435-I437 HydrophobicContact CB-CG1 4.25Å; I437-L440 HydrophobicContact CG2-CD2 3.87Å; I437-L456 HydrophobicContact CD1-CD2 4.29Å; I437-N459 HydrophobicContact CB-CB 4.47Å; I437-N459 WeakPolarHBondContact CB-OD1 3.5Å; I437-N459 WeakPolarHBondContact CG1-OD1 3.19Å; I437-N459 PolarHBondContact N-OD1 3.4Å; I437-N459 VanDerWaalsContact N-OD1 3.11Å; I437-L460 CarbonylContact O-C 3.17Å; I437-L460 WeakPolarHBondContact O-CA 3.39Å; I437-L460 PolarHBondContact O-N 3.23Å; I437-L460 VanDerWaalsContact O-N 3.11Å; I437-I461 HydrophobicContact CB-CG1 4.41Å; I437-I461 HydrophobicContact CG2-CG1 4.32Å; I437-I461 WeakPolarHBondContact O-CA 3.37Å; I437-I461 VanDerWaalsContact O-CG1 3.32Å; I437-I461 WeakPolarHBondContact O-CG1 3.17Å; I437-I461 PolarHBondContact O-N 2.94Å
438	E	94.5	Very high	93.1	Very high	81 Å²	81	42 Å²	42	38%	0.379	20%	0.195	S	C	.	.			trans	-96	-23.9	-178.1	-62.5	-146.9	148.7	0	0	115.2	Q436 L460 I461 K462	Q436-E438 PolarHBondContact O-N 2.88Å; E438-L460 HydrophobicContact CG-CB 4.43Å; E438-I461 WeakPolarHBondContact O-CA 2.89Å; E438-K462 PolarHBondContact O-N 3.48Å; E438-K462 IonicContact OE1-NZ 2.64Å; E438-K462 PolarHBondContact OE1-NZ 3.23Å; E438-K462 IonicContact OE2-NZ 2.71Å; E438-K462 PolarHBondContact OE2-NZ 3.42Å
439	R	93.3	Very high	93.2	Very high	152 Å²	152	40.7 Å²	40.7	57%	0.574	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-147.3	147.8	-173.9	-69.6	-170.6	162.1	114	-4.5	111.4	E463	R439-E463 WeakPolarHBondContact CA-O 3.38Å; R439-E463 HydrophobicContact CG-CB 4.32Å; R439-E463 IonicContact CZ-OE2 3.35Å; R439-E463 IonicContact NE-OE2 2.73Å; R439-E463 PolarHBondContact NE-OE2 3Å; R439-E463 IonicContact NH2-OE2 3.05Å; R439-E463 PolarHBondContact NH2-OE2 3.44Å
440	L	95.2	Very high	93.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	141.3	169.1	-56.8	176.1	0	0	0	111.1	I437 I444 F445 L456 I461 E463 I464 L465 T468 L480	I437-L440 HydrophobicContact CG2-CD2 3.87Å; L440-I444 HydrophobicContact CB-CD1 4.5Å; L440-I444 HydrophobicContact CD2-CD1 3.98Å; L440-F445 HydrophobicContact CB-CE2 4.47Å; L440-F445 HydrophobicContact CD1-CE2 4.2Å; L440-F445 HydrophobicContact CD1-CZ 4.42Å; L440-F445 HydrophobicContact CD2-CE2 4.11Å; L440-F445 HydrophobicContact CD2-CZ 4.01Å; L440-L456 HydrophobicContact CD1-CD1 3.77Å; L440-L456 HydrophobicContact CD1-CD2 4.47Å; L440-L456 HydrophobicContact CD2-CD2 4.39Å; L440-I461 HydrophobicContact CD1-CD1 3.95Å; L440-I461 HydrophobicContact CD1-CG2 4.48Å; L440-I461 HydrophobicContact CG-CD1 4.24Å; L440-I461 HydrophobicContact CG-CG2 4.2Å; L440-E463 PolarHBondContact N-O 3.39Å; L440-E463 VanDerWaalsContact N-O 3.1Å; L440-I464 HydrophobicContact CB-CG1 4.28Å; L440-I464 HydrophobicContact CB-CG2 4.38Å; L440-I464 HydrophobicContact CD1-CD1 4.28Å; L440-I464 HydrophobicContact CD1-CG1 4.21Å; L440-L465 PolarHBondContact O-N 3.28Å; L440-T468 HydrophobicContact CB-CG2 3.8Å; L440-L480 HydrophobicContact CD1-CD2 4.43Å
441	Y	93.5	Very high	93.2	Very high	68 Å²	68	40.3 Å²	40.3	27%	0.267	20%	0.198	S	C	.	.			trans	-142.7	154.6	-177.5	56.1	-87.2	0	0	0	110.9	I416 K417 G418 E443 I444	I416-Y441 PolarHBondContact O-OH 2.91Å; K417-Y441 VanDerWaalsContact C-OH 3.24Å; K417-Y441 WeakPolarHBondContact CA-OH 3.33Å; G418-Y441 PolarHBondContact N-OH 3.06Å; Y441-E443 VanDerWaalsContact C-N 3.29Å; Y441-E443 HydrophobicContact CD2-CB 4.05Å; Y441-E443 WeakPolarHBondContact CD2-OE2 3.42Å; Y441-E443 HydrophobicContact CE2-CB 4.12Å; Y441-E443 PolarHBondContact O-N 3.06Å; Y441-I444 HydrophobicContact CD1-CD1 3.58Å; Y441-I444 HydrophobicContact CD1-CG1 3.81Å; Y441-I444 HydrophobicContact CD2-CG1 3.91Å; Y441-I444 HydrophobicContact CE1-CD1 3.56Å; Y441-I444 HydrophobicContact CE1-CG1 3.63Å; Y441-I444 HydrophobicContact CE2-CG1 3.77Å; Y441-I444 HydrophobicContact CG-CD1 4.1Å; Y441-I444 HydrophobicContact CG-CG1 3.93Å; Y441-I444 WeakPolarHBondContact O-CB 3.46Å; Y441-I444 WeakPolarHBondContact O-CG1 3.45Å; Y441-I444 PolarHBondContact O-N 3.43Å; Y441-I444 VanDerWaalsContact O-N 3.11Å
442	P	90.5	Very high	93.1	Very high	38 Å²	38	40.6 Å²	40.6	25%	0.247	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-57.9	-36.6	-166.1	-26.8	36.8	0	0	0	115.3	I444 F445 A466	P442-I444 PolarHBondContact O-N 3.14Å; P442-F445 PolarHBondContact O-N 3.06Å; P442-A466 VanDerWaalsContact CG-O 3.24Å; P442-A466 WeakPolarHBondContact CG-O 3.4Å
443	E	91.4	Very high	92.9	Very high	98 Å²	98	43.8 Å²	43.8	46%	0.458	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-63.5	-28	-177.6	-63	83.9	166.8	0	0	111.9	E419 Y441 F445 S446	E419-E443 WeakPolarHBondContact CA-O 3.44Å; E419-E443 PolarHBondContact N-O 2.79Å; Y441-E443 VanDerWaalsContact C-N 3.29Å; Y441-E443 HydrophobicContact CD2-CB 4.05Å; Y441-E443 WeakPolarHBondContact CD2-OE2 3.42Å; Y441-E443 HydrophobicContact CE2-CB 4.12Å; Y441-E443 PolarHBondContact O-N 3.06Å; E443-F445 PolarHBondContact O-N 3.26Å; E443-S446 WeakPolarHBondContact O-CB 3.21Å; E443-S446 PolarHBondContact O-N 3.11Å
444	I	93.4	Very high	93	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-55.6	-50.7	-179.3	-61	178.3	0	0	0	111.2	I416 F421 L440 Y441 P442	I416-I444 HydrophobicContact CB-CG2 4.31Å; I416-I444 HydrophobicContact CD1-CG2 4.44Å; I416-I444 HydrophobicContact CG2-CG2 3.9Å; F421-I444 HydrophobicContact CD2-CG2 4.4Å; F421-I444 VanDerWaalsContact CD2-O 3.26Å; F421-I444 WeakPolarHBondContact CD2-O 3.44Å; F421-I444 HydrophobicContact CE2-CG2 4.09Å; L440-I444 HydrophobicContact CB-CD1 4.5Å; L440-I444 HydrophobicContact CD2-CD1 3.98Å; Y441-I444 HydrophobicContact CD1-CD1 3.58Å; Y441-I444 HydrophobicContact CD1-CG1 3.81Å; Y441-I444 HydrophobicContact CD2-CG1 3.91Å; Y441-I444 HydrophobicContact CE1-CD1 3.56Å; Y441-I444 HydrophobicContact CE1-CG1 3.63Å; Y441-I444 HydrophobicContact CE2-CG1 3.77Å; Y441-I444 HydrophobicContact CG-CD1 4.1Å; Y441-I444 HydrophobicContact CG-CG1 3.93Å; Y441-I444 WeakPolarHBondContact O-CB 3.46Å; Y441-I444 WeakPolarHBondContact O-CG1 3.45Å; Y441-I444 PolarHBondContact O-N 3.43Å; Y441-I444 VanDerWaalsContact O-N 3.11Å; P442-I444 PolarHBondContact O-N 3.14Å
445	F	93.6	Very high	93.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-96.4	14.3	-170.8	-56.8	-63.3	0	0	0	113.3	F421 L430 L432 L440 P442 E443 L448 L454 L456 T468 F469 S471 M472	F421-F445 HydrophobicContact CD2-CD1 4.3Å; F421-F445 HydrophobicContact CE2-CD1 4.4Å; F421-F445 HydrophobicContact CE2-CE1 4.46Å; L430-F445 HydrophobicContact CD2-CD1 4.32Å; L430-F445 HydrophobicContact CD2-CE1 4.18Å; L432-F445 HydrophobicContact CD1-CE1 4.09Å; L440-F445 HydrophobicContact CB-CE2 4.47Å; L440-F445 HydrophobicContact CD1-CE2 4.2Å; L440-F445 HydrophobicContact CD1-CZ 4.42Å; L440-F445 HydrophobicContact CD2-CE2 4.11Å; L440-F445 HydrophobicContact CD2-CZ 4.01Å; P442-F445 PolarHBondContact O-N 3.06Å; E443-F445 PolarHBondContact O-N 3.26Å; F445-L448 HydrophobicContact CB-CD1 4.11Å; F445-L448 HydrophobicContact CD1-CD1 3.81Å; F445-L448 HydrophobicContact CG-CD1 4.45Å; F445-L448 WeakPolarHBondContact O-CB 3.07Å; F445-L448 PolarHBondContact O-N 2.94Å; F445-L454 HydrophobicContact CE1-CD1 4.17Å; F445-L454 HydrophobicContact CE1-CD2 4.16Å; F445-L454 HydrophobicContact CZ-CD2 4.13Å; F445-L456 HydrophobicContact CZ-CD1 4.19Å; F445-T468 HydrophobicContact CD2-CG2 3.78Å; F445-T468 HydrophobicContact CE2-CG2 3.81Å; F445-F469 HydrophobicContact CE2-CE1 4.31Å; F445-S471 VanDerWaalsContact O-CB 3.26Å; F445-S471 WeakPolarHBondContact O-CB 3.32Å; F445-M472 HydrophobicContact CB-CE 3.66Å; F445-M472 HydrophobicContact CB-CG 4.48Å; F445-M472 HydrophobicContact CB-SD 3.89Å; F445-M472 HydrophobicContact CD1-CE 4.38Å; F445-M472 HydrophobicContact CD1-SD 4.43Å; F445-M472 HydrophobicContact CD2-CE 3.97Å; F445-M472 HydrophobicContact CG-CE 3.76Å; F445-M472 HydrophobicContact CG-SD 4.21Å
446	S	92.1	Very high	93.3	Very high	38 Å²	38	42.3 Å²	42.3	27%	0.266	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	137.8	173	-172.1	0	0	0	0	111.1	F421 H422 E443 L448	F421-S446 CarbonylContact C-O 3.34Å; H422-S446 WeakPolarHBondContact CA-O 3.49Å; H422-S446 PolarHBondContact N-O 3.03Å; E443-S446 WeakPolarHBondContact O-CB 3.21Å; E443-S446 PolarHBondContact O-N 3.11Å; S446-L448 PolarHBondContact O-N 3.32Å
447	G	87.8	Confident	93	Very high	5 Å²	5	39 Å²	39	5%	0.052	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	-10.5	-179.7	0	0	0	0	0	116.8	T425 H449	T425-G447 WeakPolarHBondContact CA-O 3.46Å; G447-H449 PolarHBondContact O-N 2.55Å
448	L	93.7	Very high	92.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.198	C	C	.	.			trans	-78	45.4	-175.2	-70.1	-177.5	0	0	0	114.8	F421 L424 L427 L430 F445 S446 N450 L451 M472	F421-L448 HydrophobicContact CB-CD1 3.99Å; F421-L448 HydrophobicContact CB-CD2 3.78Å; F421-L448 HydrophobicContact CB-CG 3.79Å; F421-L448 HydrophobicContact CD2-CD1 3.89Å; F421-L448 HydrophobicContact CG-CD1 4.18Å; F421-L448 HydrophobicContact CG-CD2 4.47Å; F421-L448 HydrophobicContact CG-CG 4.5Å; L424-L448 HydrophobicContact CB-CD2 3.93Å; L427-L448 HydrophobicContact CB-CD2 4Å; L427-L448 HydrophobicContact CD2-CD2 3.64Å; L427-L448 HydrophobicContact CG-CD2 4.43Å; L430-L448 HydrophobicContact CD2-CD1 3.77Å; F445-L448 HydrophobicContact CB-CD1 4.11Å; F445-L448 HydrophobicContact CD1-CD1 3.81Å; F445-L448 HydrophobicContact CG-CD1 4.45Å; F445-L448 WeakPolarHBondContact O-CB 3.07Å; F445-L448 PolarHBondContact O-N 2.94Å; S446-L448 PolarHBondContact O-N 3.32Å; L448-N450 VanDerWaalsContact C-N 3.3Å; L448-N450 PolarHBondContact O-N 3.4Å; L448-L451 HydrophobicContact CB-CB 4.21Å; L448-L451 HydrophobicContact CD1-CD2 4.33Å; L448-L451 WeakPolarHBondContact O-CB 3.39Å; L448-L451 PolarHBondContact O-N 2.87Å; L448-L451 VanDerWaalsContact O-N 3.08Å; L448-M472 HydrophobicContact CB-CG 3.77Å; L448-M472 HydrophobicContact CB-SD 4.02Å; L448-M472 HydrophobicContact CD1-SD 4.15Å; L448-M472 WeakPolarHBondContact O-CG 3.47Å
449	H	91.5	Very high	92.7	Very high	92 Å²	92	39.9 Å²	39.9	43%	0.426	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-28.2	-166.4	-56.5	-38.4	0	0	0	115.2	G447 S471 N474	G447-H449 PolarHBondContact O-N 2.55Å; H449-S471 PolarHBondContact ND1-O 3.24Å; H449-N474 PolarHBondContact O-ND2 2.69Å
450	N	92.8	Very high	92.9	Very high	70 Å²	70	36 Å²	36	37%	0.374	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	8	178.3	-72.2	-62.5	0	0	0	114	T425 L427 L448 Q452	T425-N450 WeakPolarHBondContact O-CB 3.39Å; T425-N450 PolarHBondContact O-ND2 2.99Å; L427-N450 CarbonylContact O-C 3.14Å; L448-N450 VanDerWaalsContact C-N 3.3Å; L448-N450 PolarHBondContact O-N 3.4Å; N450-Q452 PolarHBondContact O-N 2.92Å
451	L	95.6	Very high	93	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.			trans	-67.7	128.4	-177.1	-160	80.4	0	0	0	111	L427 L430 L448 L454 M472 N474 L475	L427-L451 HydrophobicContact CB-CD1 4.4Å; L427-L451 HydrophobicContact CD2-CD1 3.96Å; L427-L451 HydrophobicContact CG-CD1 4Å; L427-L451 WeakPolarHBondContact O-CA 3.48Å; L427-L451 PolarHBondContact O-N 3.32Å; L427-L451 VanDerWaalsContact O-N 3.07Å; L430-L451 HydrophobicContact CB-CD1 3.69Å; L430-L451 HydrophobicContact CB-CD2 4.11Å; L448-L451 HydrophobicContact CB-CB 4.21Å; L448-L451 HydrophobicContact CD1-CD2 4.33Å; L448-L451 WeakPolarHBondContact O-CB 3.39Å; L448-L451 PolarHBondContact O-N 2.87Å; L448-L451 VanDerWaalsContact O-N 3.08Å; L451-L454 HydrophobicContact CD2-CB 3.92Å; L451-L454 HydrophobicContact CD2-CD1 4.27Å; L451-L454 HydrophobicContact CD2-CD2 4.36Å; L451-L454 HydrophobicContact CD2-CG 4.41Å; L451-M472 HydrophobicContact CB-CG 4.36Å; L451-M472 HydrophobicContact CB-SD 4.17Å; L451-M472 HydrophobicContact CD2-SD 3.44Å; L451-M472 WeakPolarHBondContact CD2-SD 3.28Å; L451-M472 HydrophobicContact CG-SD 4.42Å; L451-N474 CarbonylContact O-C 3.5Å; L451-L475 HydrophobicContact CD2-CD1 4.2Å; L451-L475 HydrophobicContact CG-CD1 4.49Å; L451-L475 VanDerWaalsContact O-CA 3.23Å; L451-L475 WeakPolarHBondContact O-CA 3.1Å; L451-L475 PolarHBondContact O-N 3.07Å; L451-L475 VanDerWaalsContact O-N 3.08Å
452	Q	90.8	Very high	93	Very high	46 Å²	46	37.2 Å²	37.2	22%	0.215	18%	0.178	C	C	.	.			trans	-111.6	-31.4	-178.8	-69.9	173.3	-13.1	0	0	112.1	R428 N450 N474 Q476 L477	R428-Q452 PolarHBondContact O-N 3.23Å; N450-Q452 PolarHBondContact O-N 2.92Å; Q452-N474 HydrophobicContact CG-CB 4.47Å; Q452-Q476 PolarHBondContact O-N 2.83Å; Q452-L477 PolarHBondContact O-N 3.17Å
453	Y	91.3	Very high	93.1	Very high	67 Å²	67	39.2 Å²	39.2	26%	0.263	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	122.3	-175.6	-53.5	-96.2	0	0	0	110.8	R428 R429 L430 L477	R428-Y453 PolarHBondContact O-N 2.83Å; R429-Y453 HydrophobicContact CG-CD2 3.86Å; R429-Y453 HydrophobicContact CG-CG 4.38Å; L430-Y453 PolarHBondContact N-O 2.87Å; Y453-L477 HydrophobicContact CD1-CB 3.81Å; Y453-L477 HydrophobicContact CD1-CD1 4.16Å; Y453-L477 HydrophobicContact CD1-CD2 4.49Å; Y453-L477 HydrophobicContact CD1-CG 4.37Å; Y453-L477 HydrophobicContact CE1-CB 4.36Å; Y453-L477 HydrophobicContact CE1-CD1 4.49Å
454	L	96.7	Very high	93.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	114.9	177.9	-178.5	51.9	0	0	0	111.1	L430 F445 L451 L456 F469 M472 L475 L477 L478 Y479	L430-L454 HydrophobicContact CB-CD1 4.14Å; L430-L454 HydrophobicContact CD2-CD1 3.99Å; L430-L454 HydrophobicContact CG-CD1 4.01Å; F445-L454 HydrophobicContact CE1-CD1 4.17Å; F445-L454 HydrophobicContact CE1-CD2 4.16Å; F445-L454 HydrophobicContact CZ-CD2 4.13Å; L451-L454 HydrophobicContact CD2-CB 3.92Å; L451-L454 HydrophobicContact CD2-CD1 4.27Å; L451-L454 HydrophobicContact CD2-CD2 4.36Å; L451-L454 HydrophobicContact CD2-CG 4.41Å; L454-L456 HydrophobicContact CD1-CD1 4.03Å; L454-L456 HydrophobicContact CD1-CG 4.07Å; L454-L456 HydrophobicContact CD2-CD1 3.81Å; L454-L456 HydrophobicContact CG-CD1 3.69Å; L454-L456 HydrophobicContact CG-CG 4.13Å; L454-F469 HydrophobicContact CD2-CE1 4.41Å; L454-M472 HydrophobicContact CD2-CE 3.88Å; L454-M472 HydrophobicContact CD2-SD 4.26Å; L454-L475 HydrophobicContact CB-CD1 3.81Å; L454-L477 PolarHBondContact N-O 3.3Å; L454-L478 HydrophobicContact CB-CD1 4.18Å; L454-L478 HydrophobicContact CD2-CD1 3.99Å; L454-L478 HydrophobicContact CG-CD1 4.03Å; L454-Y479 PolarHBondContact O-N 3.49Å
455	Y	94.1	Very high	93.3	Very high	38 Å²	38	38.6 Å²	38.6	15%	0.149	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	112.4	-178.8	-61.2	-86.4	0	0	0	110.3	L430 Y431 L432 N433 E457 L477 Y479	L430-Y455 PolarHBondContact O-N 3.18Å; Y431-Y455 HydrophobicContact CD1-CD1 4.49Å; Y431-Y455 AromaticContact CD1-CD2 3.24Å; Y431-Y455 HydrophobicContact CD1-CD2 3.24Å; Y431-Y455 AromaticContact CD1-CE2 3.85Å; Y431-Y455 HydrophobicContact CD1-CE2 3.85Å; Y431-Y455 AromaticContact CD1-CG 3.62Å; Y431-Y455 HydrophobicContact CD1-CG 3.62Å; Y431-Y455 HydrophobicContact CD2-CD2 4.35Å; Y431-Y455 AromaticContact CE1-CD2 3.28Å; Y431-Y455 HydrophobicContact CE1-CD2 3.28Å; Y431-Y455 AromaticContact CE1-CE2 3.33Å; Y431-Y455 HydrophobicContact CE1-CE2 3.33Å; Y431-Y455 AromaticContact CE1-CG 3.91Å; Y431-Y455 HydrophobicContact CE1-CG 3.91Å; Y431-Y455 HydrophobicContact CE2-CD2 4.39Å; Y431-Y455 HydrophobicContact CE2-CE2 4.42Å; Y431-Y455 AromaticContact CG-CD2 3.82Å; Y431-Y455 HydrophobicContact CG-CD2 3.82Å; Y431-Y455 HydrophobicContact CG-CG 4.38Å; Y431-Y455 AromaticContact CZ-CD2 3.89Å; Y431-Y455 AromaticContact CZ-CE2 3.66Å; L432-Y455 CarbonylContact C-O 3.55Å; L432-Y455 WeakPolarHBondContact CA-O 3.37Å; L432-Y455 PolarHBondContact N-O 3.42Å; N433-Y455 PolarHBondContact N-O 2.92Å; Y455-E457 WeakPolarHBondContact CA-OE2 3.45Å; Y455-E457 WeakPolarHBondContact CB-OE2 3.38Å; Y455-L477 HydrophobicContact CD1-CD2 4.29Å; Y455-L477 HydrophobicContact CE1-CD2 3.69Å; Y455-Y479 AromaticContact CD1-CD2 3.75Å; Y455-Y479 HydrophobicContact CD1-CD2 3.75Å; Y455-Y479 HydrophobicContact CD1-CE2 4.41Å; Y455-Y479 HydrophobicContact CD1-CG 4.23Å; Y455-Y479 AromaticContact CE1-CD2 3.8Å; Y455-Y479 HydrophobicContact CE1-CD2 3.8Å; Y455-Y479 HydrophobicContact CE1-CE2 4.02Å; Y455-Y479 HydrophobicContact CE1-CG 4.41Å
456	L	96.1	Very high	93.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.207	C	C	.	.			trans	-128.3	9.6	-177.1	-74.5	158.4	0	0	0	112	L432 I437 L440 F445 L454 N459 I461 L478 Y479 L480 N483	L432-L456 HydrophobicContact CB-CD2 3.78Å; L432-L456 HydrophobicContact CD1-CD2 3.97Å; I437-L456 HydrophobicContact CD1-CD2 4.29Å; L440-L456 HydrophobicContact CD1-CD1 3.77Å; L440-L456 HydrophobicContact CD1-CD2 4.47Å; L440-L456 HydrophobicContact CD2-CD2 4.39Å; F445-L456 HydrophobicContact CZ-CD1 4.19Å; L454-L456 HydrophobicContact CD1-CD1 4.03Å; L454-L456 HydrophobicContact CD1-CG 4.07Å; L454-L456 HydrophobicContact CD2-CD1 3.81Å; L454-L456 HydrophobicContact CG-CD1 3.69Å; L454-L456 HydrophobicContact CG-CG 4.13Å; L456-N459 PolarHBondContact O-ND2 2.86Å; L456-I461 HydrophobicContact CB-CD1 4.15Å; L456-I461 HydrophobicContact CD2-CD1 4.32Å; L456-L478 HydrophobicContact CD1-CD1 4.2Å; L456-Y479 CarbonylContact C-O 3.57Å; L456-Y479 WeakPolarHBondContact CA-O 3.2Å; L456-Y479 WeakPolarHBondContact CB-O 3.47Å; L456-Y479 PolarHBondContact N-O 2.96Å; L456-L480 HydrophobicContact CB-CD2 3.86Å; L456-L480 HydrophobicContact CD1-CD2 3.93Å; L456-N483 PolarHBondContact O-ND2 3.24Å
457	E	88.3	Confident	93	Very high	21 Å²	21	40.4 Å²	40.4	10%	0.098	20%	0.202	C	C	.	.			trans	-63.7	155.5	179.1	69.7	-78.3	179.8	0	0	113.2	N433 G434 Y455 N459 Y479 N481	N433-E457 CarbonylContact C-O 3.17Å; N433-E457 WeakPolarHBondContact CA-O 3.37Å; N433-E457 HydrophobicContact CB-CG 3.94Å; N433-E457 WeakPolarHBondContact CB-O 3.3Å; N433-E457 VanDerWaalsContact CB-OE1 3.23Å; N433-E457 WeakPolarHBondContact CB-OE1 3.34Å; N433-E457 PolarHBondContact ND2-OE1 2.92Å; G434-E457 PolarHBondContact N-O 3.19Å; Y455-E457 WeakPolarHBondContact CA-OE2 3.45Å; Y455-E457 WeakPolarHBondContact CB-OE2 3.38Å; E457-N459 VanDerWaalsContact C-N 3.35Å; E457-N459 PolarHBondContact O-N 2.62Å; E457-N459 PolarHBondContact O-ND2 3.21Å; E457-Y479 PolarHBondContact N-O 2.94Å; E457-Y479 WeakPolarHBondContact OE2-CB 3.43Å; E457-N481 WeakPolarHBondContact CA-O 3.26Å; E457-N481 VanDerWaalsContact CB-O 3.27Å; E457-N481 WeakPolarHBondContact CB-O 3.21Å; E457-N481 WeakPolarHBondContact CB-OD1 3.47Å
458	Y	91.1	Very high	93.3	Very high	96 Å²	96	40.1 Å²	40.1	38%	0.376	20%	0.2	S	C	.	.	S	Bend	trans	54.2	48.3	-175.8	-60.3	-77.8	0	0	0	112.9	G434 N435 N481 N482 L818	G434-Y458 WeakPolarHBondContact CA-O 3.41Å; G434-Y458 PolarHBondContact N-O 3.38Å; N435-Y458 PolarHBondContact N-O 2.9Å; Y458-N481 PolarHBondContact N-O 3.34Å; Y458-N482 WeakPolarHBondContact CA-O 3.23Å; Y458-N482 HydrophobicContact CD1-CB 3.57Å; Y458-N482 HydrophobicContact CE1-CB 3.64Å; Y458-N482 VanDerWaalsContact CE1-ND2 3.3Å; Y458-N482 WeakPolarHBondContact CE1-ND2 3.47Å; Y458-N482 HydrophobicContact CG-CB 4.15Å; Y458-N482 PolarHBondContact N-O 3.38Å; Y458-N482 PolarHBondContact OH-ND2 2.94Å; Y458-L818 VanDerWaalsContact OH-CD1 3.31Å; Y458-L818 WeakPolarHBondContact OH-CD1 3.36Å
459	N	94.6	Very high	93.3	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.032	20%	0.2	C	C	.	.	S	Bend	trans	-114.6	-171.9	167.9	-86.3	-87.8	0	0	0	109.8	L432 N435 Q436 I437 L456 E457 I461 N483	L432-N459 PolarHBondContact O-ND2 2.78Å; N435-N459 WeakPolarHBondContact CA-OD1 3.44Å; N435-N459 WeakPolarHBondContact CB-OD1 3.46Å; N435-N459 PolarHBondContact O-OD1 3.25Å; Q436-N459 PolarHBondContact N-OD1 3.3Å; I437-N459 HydrophobicContact CB-CB 4.47Å; I437-N459 WeakPolarHBondContact CB-OD1 3.5Å; I437-N459 WeakPolarHBondContact CG1-OD1 3.19Å; I437-N459 PolarHBondContact N-OD1 3.4Å; I437-N459 VanDerWaalsContact N-OD1 3.11Å; L456-N459 PolarHBondContact O-ND2 2.86Å; E457-N459 VanDerWaalsContact C-N 3.35Å; E457-N459 PolarHBondContact O-N 2.62Å; E457-N459 PolarHBondContact O-ND2 3.21Å; N459-I461 HydrophobicContact CB-CD1 4.03Å; N459-I461 HydrophobicContact CB-CG1 3.86Å; N459-N483 WeakPolarHBondContact CA-OD1 3.38Å; N459-N483 WeakPolarHBondContact CB-OD1 3.28Å; N459-N483 PolarHBondContact O-OD1 3.41Å
460	L	96.2	Very high	93.3	Very high	71 Å²	71	39.5 Å²	39.5	37%	0.372	20%	0.2	S	C	.	.			trans	-110.3	26.8	179.3	-60.2	177.8	0	0	0	111.7	Q436 I437 E438 K462 N483 L484	Q436-L460 HydrophobicContact CB-CD1 4.25Å; I437-L460 CarbonylContact O-C 3.17Å; I437-L460 WeakPolarHBondContact O-CA 3.39Å; I437-L460 PolarHBondContact O-N 3.23Å; I437-L460 VanDerWaalsContact O-N 3.11Å; E438-L460 HydrophobicContact CG-CB 4.43Å; L460-K462 WeakPolarHBondContact O-CG 3.47Å; L460-K462 PolarHBondContact O-N 3.23Å; L460-K462 VanDerWaalsContact O-N 3.16Å; L460-N483 PolarHBondContact N-OD1 3.09Å; L460-L484 HydrophobicContact CB-CD1 4.44Å; L460-L484 HydrophobicContact CD2-CD1 4.39Å
461	I	97.2	Very high	93.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.192	C	C	.	.			trans	-68.6	116	-167.9	-52.6	162	0	0	0	109.5	I437 E438 L440 L456 N459 I464 L480 N483 L484 L485	I437-I461 HydrophobicContact CB-CG1 4.41Å; I437-I461 HydrophobicContact CG2-CG1 4.32Å; I437-I461 WeakPolarHBondContact O-CA 3.37Å; I437-I461 VanDerWaalsContact O-CG1 3.32Å; I437-I461 WeakPolarHBondContact O-CG1 3.17Å; I437-I461 PolarHBondContact O-N 2.94Å; E438-I461 WeakPolarHBondContact O-CA 2.89Å; L440-I461 HydrophobicContact CD1-CD1 3.95Å; L440-I461 HydrophobicContact CD1-CG2 4.48Å; L440-I461 HydrophobicContact CG-CD1 4.24Å; L440-I461 HydrophobicContact CG-CG2 4.2Å; L456-I461 HydrophobicContact CB-CD1 4.15Å; L456-I461 HydrophobicContact CD2-CD1 4.32Å; N459-I461 HydrophobicContact CB-CD1 4.03Å; N459-I461 HydrophobicContact CB-CG1 3.86Å; I461-I464 HydrophobicContact CG2-CG1 4.03Å; I461-L480 HydrophobicContact CD1-CD2 4.05Å; I461-N483 HydrophobicContact CB-CB 4.36Å; I461-N483 WeakPolarHBondContact CB-OD1 3.49Å; I461-N483 WeakPolarHBondContact CD1-OD1 3.2Å; I461-N483 VanDerWaalsContact CG1-OD1 3.25Å; I461-N483 WeakPolarHBondContact CG1-OD1 3.24Å; I461-N483 PolarHBondContact N-OD1 3.23Å; I461-L484 CarbonylContact O-C 3.51Å; I461-L484 VanDerWaalsContact O-CA 3.29Å; I461-L484 WeakPolarHBondContact O-CA 3.26Å; I461-L484 PolarHBondContact O-N 2.72Å; I461-L485 HydrophobicContact CB-CD2 4.25Å; I461-L485 HydrophobicContact CG2-CD2 3.69Å; I461-L485 PolarHBondContact O-N 3.02Å; I461-L485 VanDerWaalsContact O-N 3.11Å
462	K	94.7	Very high	93	Very high	93 Å²	93	37.7 Å²	37.7	40%	0.404	19%	0.192	S	C	.	.			trans	-95.6	-28.2	-180	-64.8	156.2	-162.1	177.8	0	112.1	E438 L460 L484	E438-K462 PolarHBondContact O-N 3.48Å; E438-K462 IonicContact OE1-NZ 2.64Å; E438-K462 PolarHBondContact OE1-NZ 3.23Å; E438-K462 IonicContact OE2-NZ 2.71Å; E438-K462 PolarHBondContact OE2-NZ 3.42Å; L460-K462 WeakPolarHBondContact O-CG 3.47Å; L460-K462 PolarHBondContact O-N 3.23Å; L460-K462 VanDerWaalsContact O-N 3.16Å; K462-L484 HydrophobicContact CG-CB 3.94Å; K462-L484 HydrophobicContact CG-CD1 4.17Å
463	E	92.8	Very high	93	Very high	80 Å²	80	38.5 Å²	38.5	37%	0.374	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	137.1	-163.8	-179	173.8	-156	0	0	110.3	R439 L440 L465	R439-E463 WeakPolarHBondContact CA-O 3.38Å; R439-E463 HydrophobicContact CG-CB 4.32Å; R439-E463 IonicContact CZ-OE2 3.35Å; R439-E463 IonicContact NE-OE2 2.73Å; R439-E463 PolarHBondContact NE-OE2 3Å; R439-E463 IonicContact NH2-OE2 3.05Å; R439-E463 PolarHBondContact NH2-OE2 3.44Å; L440-E463 PolarHBondContact N-O 3.39Å; L440-E463 VanDerWaalsContact N-O 3.1Å; E463-L465 HydrophobicContact CG-CD2 4.3Å
464	I	95.4	Very high	93	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.036	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.2	173.7	-59.9	176.6	0	0	0	105.9	L440 I461 T468 F469 L480 L485 L488 P489 I492	L440-I464 HydrophobicContact CB-CG1 4.28Å; L440-I464 HydrophobicContact CB-CG2 4.38Å; L440-I464 HydrophobicContact CD1-CD1 4.28Å; L440-I464 HydrophobicContact CD1-CG1 4.21Å; I461-I464 HydrophobicContact CG2-CG1 4.03Å; I464-T468 HydrophobicContact CG2-CG2 3.99Å; I464-F469 HydrophobicContact CD1-CZ 4.28Å; I464-F469 HydrophobicContact CG2-CE2 4.45Å; I464-F469 HydrophobicContact CG2-CZ 4.29Å; I464-L480 HydrophobicContact CD1-CD1 3.93Å; I464-L480 HydrophobicContact CD1-CD2 4.17Å; I464-L485 HydrophobicContact CD1-CD1 3.99Å; I464-L485 HydrophobicContact CD1-CD2 3.8Å; I464-L485 HydrophobicContact CG1-CD2 3.76Å; I464-L488 HydrophobicContact CD1-CD2 4.17Å; I464-P489 WeakPolarHBondContact O-CD 3.33Å; I464-P489 WeakPolarHBondContact O-CG 3.39Å; I464-I492 HydrophobicContact CG2-CD1 3.8Å; I464-I492 HydrophobicContact CG2-CG1 4.4Å
465	L	93.1	Very high	92.9	Very high	80 Å²	80	38.7 Å²	38.7	42%	0.419	21%	0.207	S	C	.	.			trans	-83.7	156.7	179.6	-60.3	-173.9	0	0	0	112.1	L440 E463 T468 I492	L440-L465 PolarHBondContact O-N 3.28Å; E463-L465 HydrophobicContact CG-CD2 4.3Å; L465-T468 PolarHBondContact N-OG1 3.28Å; L465-T468 WeakPolarHBondContact O-CB 3.4Å; L465-T468 PolarHBondContact O-N 2.92Å; L465-T468 PolarHBondContact O-OG1 3.04Å; L465-I492 WeakPolarHBondContact O-CD1 3.41Å
466	A	90.3	Very high	92.7	Very high	60 Å²	60	40.9 Å²	40.9	50%	0.496	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	141.1	175.7	0	0	0	0	0	110.8	P442 T468 P489	P442-A466 VanDerWaalsContact CG-O 3.24Å; P442-A466 WeakPolarHBondContact CG-O 3.4Å; A466-T468 VanDerWaalsContact C-N 3.34Å; A466-P489 HydrophobicContact CB-CB 4.09Å; A466-P489 HydrophobicContact CB-CG 4.41Å
467	G	89.4	Confident	92.4	Very high	16 Å²	16	41.4 Å²	41.4	17%	0.165	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	4.9	-177.9	0	0	0	0	0	116	F469 D470	G467-F469 PolarHBondContact O-N 3.32Å; G467-F469 VanDerWaalsContact O-N 3.11Å; G467-D470 VanDerWaalsContact CA-CG 3.48Å; G467-D470 VanDerWaalsContact CA-OD2 3.3Å; G467-D470 WeakPolarHBondContact CA-OD2 3.34Å; G467-D470 PolarHBondContact O-N 3.17Å
468	T	94.1	Very high	92.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-27	-175	-64.5	0	0	0	0	114.1	L440 F445 I464 L465 A466	L440-T468 HydrophobicContact CB-CG2 3.8Å; F445-T468 HydrophobicContact CD2-CG2 3.78Å; F445-T468 HydrophobicContact CE2-CG2 3.81Å; I464-T468 HydrophobicContact CG2-CG2 3.99Å; L465-T468 PolarHBondContact N-OG1 3.28Å; L465-T468 WeakPolarHBondContact O-CB 3.4Å; L465-T468 PolarHBondContact O-N 2.92Å; L465-T468 PolarHBondContact O-OG1 3.04Å; A466-T468 VanDerWaalsContact C-N 3.34Å
469	F	93.8	Very high	92.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-0.8	-177	-52.7	-47.2	0	0	0	114.2	F445 L454 I464 G467 S471 M472 L478 L480 I492 F493 A496	F445-F469 HydrophobicContact CE2-CE1 4.31Å; L454-F469 HydrophobicContact CD2-CE1 4.41Å; I464-F469 HydrophobicContact CD1-CZ 4.28Å; I464-F469 HydrophobicContact CG2-CE2 4.45Å; I464-F469 HydrophobicContact CG2-CZ 4.29Å; G467-F469 PolarHBondContact O-N 3.32Å; G467-F469 VanDerWaalsContact O-N 3.11Å; F469-S471 PolarHBondContact O-N 3.05Å; F469-S471 VanDerWaalsContact O-N 3.14Å; F469-M472 HydrophobicContact CB-CE 4.22Å; F469-M472 HydrophobicContact CD1-CE 3.63Å; F469-M472 HydrophobicContact CG-CE 4.38Å; F469-M472 PolarHBondContact O-N 2.91Å; F469-L478 HydrophobicContact CD2-CD2 4.07Å; F469-L478 HydrophobicContact CE1-CD1 4.39Å; F469-L478 HydrophobicContact CE1-CD2 4.28Å; F469-L478 HydrophobicContact CE2-CD2 3.59Å; F469-L478 HydrophobicContact CZ-CD1 4.32Å; F469-L478 HydrophobicContact CZ-CD2 3.71Å; F469-L480 HydrophobicContact CZ-CD1 4.39Å; F469-I492 HydrophobicContact CD2-CD1 3.75Å; F469-I492 HydrophobicContact CD2-CG1 3.76Å; F469-I492 WeakPolarHBondContact CD2-O 3.17Å; F469-I492 HydrophobicContact CE2-CD1 3.92Å; F469-I492 HydrophobicContact CE2-CG1 3.8Å; F469-I492 HydrophobicContact CG-CD1 4.49Å; F469-F493 HydrophobicContact CD2-CD1 4.03Å; F469-F493 AromaticContact CD2-CE1 3.91Å; F469-F493 HydrophobicContact CD2-CE1 3.91Å; F469-F493 HydrophobicContact CE2-CD1 4.48Å; F469-F493 AromaticContact CE2-CE1 3.9Å; F469-F493 HydrophobicContact CE2-CE1 3.9Å; F469-A496 HydrophobicContact CB-CB 4.32Å
470	D	90.6	Very high	92.8	Very high	78 Å²	78	38.4 Å²	38.4	42%	0.417	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-23.5	-173.2	-62.8	4.9	0	0	0	113.3	G467 M472	G467-D470 VanDerWaalsContact CA-CG 3.48Å; G467-D470 VanDerWaalsContact CA-OD2 3.3Å; G467-D470 WeakPolarHBondContact CA-OD2 3.34Å; G467-D470 PolarHBondContact O-N 3.17Å; D470-M472 PolarHBondContact O-N 3.1Å
471	S	88.3	Confident	92.6	Very high	32 Å²	32	35.4 Å²	35.4	22%	0.224	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-8.2	177.1	-69	0	0	0	0	114.3	F445 H449 F469 P473	F445-S471 VanDerWaalsContact O-CB 3.26Å; F445-S471 WeakPolarHBondContact O-CB 3.32Å; H449-S471 PolarHBondContact ND1-O 3.24Å; F469-S471 PolarHBondContact O-N 3.05Å; F469-S471 VanDerWaalsContact O-N 3.14Å; S471-P473 VanDerWaalsContact C-CD 3.42Å; S471-P473 VanDerWaalsContact O-CD 3.24Å; S471-P473 WeakPolarHBondContact O-CD 3.23Å
472	M	93.6	Very high	92.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.201	C	C	.	.			trans	-121.2	65.9	-168.9	-59.6	-177.2	-75.5	0	0	112.4	F445 L448 L451 L454 F469 D470 N474 L475	F445-M472 HydrophobicContact CB-CE 3.66Å; F445-M472 HydrophobicContact CB-CG 4.48Å; F445-M472 HydrophobicContact CB-SD 3.89Å; F445-M472 HydrophobicContact CD1-CE 4.38Å; F445-M472 HydrophobicContact CD1-SD 4.43Å; F445-M472 HydrophobicContact CD2-CE 3.97Å; F445-M472 HydrophobicContact CG-CE 3.76Å; F445-M472 HydrophobicContact CG-SD 4.21Å; L448-M472 HydrophobicContact CB-CG 3.77Å; L448-M472 HydrophobicContact CB-SD 4.02Å; L448-M472 HydrophobicContact CD1-SD 4.15Å; L448-M472 WeakPolarHBondContact O-CG 3.47Å; L451-M472 HydrophobicContact CB-CG 4.36Å; L451-M472 HydrophobicContact CB-SD 4.17Å; L451-M472 HydrophobicContact CD2-SD 3.44Å; L451-M472 WeakPolarHBondContact CD2-SD 3.28Å; L451-M472 HydrophobicContact CG-SD 4.42Å; L454-M472 HydrophobicContact CD2-CE 3.88Å; L454-M472 HydrophobicContact CD2-SD 4.26Å; F469-M472 HydrophobicContact CB-CE 4.22Å; F469-M472 HydrophobicContact CD1-CE 3.63Å; F469-M472 HydrophobicContact CG-CE 4.38Å; F469-M472 PolarHBondContact O-N 2.91Å; D470-M472 PolarHBondContact O-N 3.1Å; M472-N474 PolarHBondContact O-N 3.16Å; M472-L475 HydrophobicContact CB-CB 4.1Å; M472-L475 HydrophobicContact CE-CD2 4.23Å; M472-L475 VanDerWaalsContact O-CB 3.29Å; M472-L475 WeakPolarHBondContact O-CB 3.25Å; M472-L475 PolarHBondContact O-N 2.94Å; M472-L475 VanDerWaalsContact O-N 3.08Å
473	P	91.2	Very high	92.3	Very high	64 Å²	64	32.7 Å²	32.7	42%	0.416	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-7	-173.8	29.5	-37.7	0	0	0	115.4	S471 G495 P497	S471-P473 VanDerWaalsContact C-CD 3.42Å; S471-P473 VanDerWaalsContact O-CD 3.24Å; S471-P473 WeakPolarHBondContact O-CD 3.23Å; P473-G495 WeakPolarHBondContact CA-O 3.29Å; P473-P497 WeakPolarHBondContact O-CD 3.45Å; P473-P497 WeakPolarHBondContact O-CG 3.39Å
474	N	91.8	Very high	92.5	Very high	70 Å²	70	32 Å²	32	37%	0.374	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	6.8	176.1	-70.7	-75.4	0	0	0	113.3	H449 L451 Q452 M472 Q476	H449-N474 PolarHBondContact O-ND2 2.69Å; L451-N474 CarbonylContact O-C 3.5Å; Q452-N474 HydrophobicContact CG-CB 4.47Å; M472-N474 PolarHBondContact O-N 3.16Å; N474-Q476 PolarHBondContact O-N 2.95Å
475	L	94.5	Very high	92.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.18	C	C	.	.			trans	-70	117.1	-173.5	-171.6	66	0	0	0	111.4	L451 L454 M472 L478 A496 P497 L498	L451-L475 HydrophobicContact CD2-CD1 4.2Å; L451-L475 HydrophobicContact CG-CD1 4.49Å; L451-L475 VanDerWaalsContact O-CA 3.23Å; L451-L475 WeakPolarHBondContact O-CA 3.1Å; L451-L475 PolarHBondContact O-N 3.07Å; L451-L475 VanDerWaalsContact O-N 3.08Å; L454-L475 HydrophobicContact CB-CD1 3.81Å; M472-L475 HydrophobicContact CB-CB 4.1Å; M472-L475 HydrophobicContact CE-CD2 4.23Å; M472-L475 VanDerWaalsContact O-CB 3.29Å; M472-L475 WeakPolarHBondContact O-CB 3.25Å; M472-L475 PolarHBondContact O-N 2.94Å; M472-L475 VanDerWaalsContact O-N 3.08Å; L475-L478 HydrophobicContact CD2-CB 4.49Å; L475-A496 HydrophobicContact CB-CB 4.43Å; L475-P497 CarbonylContact O-C 3.43Å; L475-L498 HydrophobicContact CB-CD2 4.41Å; L475-L498 HydrophobicContact CD2-CD2 3.93Å; L475-L498 HydrophobicContact CG-CD2 3.74Å; L475-L498 PolarHBondContact O-N 3.47Å
476	Q	89.4	Confident	92.5	Very high	85 Å²	85	34.7 Å²	34.7	40%	0.397	19%	0.19	S	C	.	.			trans	-106.4	-34.1	-177.1	-70.3	175.2	-7.3	0	0	112.6	Q452 N474 A499 R500	Q452-Q476 PolarHBondContact O-N 2.83Å; N474-Q476 PolarHBondContact O-N 2.95Å; Q476-A499 PolarHBondContact O-N 2.99Å; Q476-R500 PolarHBondContact O-N 3.18Å
477	L	90.1	Very high	92.6	Very high	11 Å²	11	34.8 Å²	34.8	6%	0.058	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125	-177.3	-175.3	151.6	0	0	0	110.9	Q452 Y453 L454 Y455 Y479 R500	Q452-L477 PolarHBondContact O-N 3.17Å; Y453-L477 HydrophobicContact CD1-CB 3.81Å; Y453-L477 HydrophobicContact CD1-CD1 4.16Å; Y453-L477 HydrophobicContact CD1-CD2 4.49Å; Y453-L477 HydrophobicContact CD1-CG 4.37Å; Y453-L477 HydrophobicContact CE1-CB 4.36Å; Y453-L477 HydrophobicContact CE1-CD1 4.49Å; L454-L477 PolarHBondContact N-O 3.3Å; Y455-L477 HydrophobicContact CD1-CD2 4.29Å; Y455-L477 HydrophobicContact CE1-CD2 3.69Å; L477-Y479 HydrophobicContact CD1-CE1 3.96Å; L477-Y479 HydrophobicContact CD2-CD1 3.62Å; L477-Y479 HydrophobicContact CD2-CD2 4.39Å; L477-Y479 HydrophobicContact CD2-CE1 3.79Å; L477-Y479 HydrophobicContact CD2-CG 3.95Å; L477-Y479 HydrophobicContact CG-CD1 4.06Å; L477-Y479 HydrophobicContact CG-CE1 3.84Å; L477-R500 WeakPolarHBondContact CA-O 3.44Å; L477-R500 HydrophobicContact CD1-CB 4.38Å; L477-R500 HydrophobicContact CG-CB 4.26Å
478	L	95.9	Very high	92.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	111.8	176.9	175.4	59.2	0	0	0	110.6	L454 L456 F469 L475 L480 F493 L498 R500 L501 N502	L454-L478 HydrophobicContact CB-CD1 4.18Å; L454-L478 HydrophobicContact CD2-CD1 3.99Å; L454-L478 HydrophobicContact CG-CD1 4.03Å; L456-L478 HydrophobicContact CD1-CD1 4.2Å; F469-L478 HydrophobicContact CD2-CD2 4.07Å; F469-L478 HydrophobicContact CE1-CD1 4.39Å; F469-L478 HydrophobicContact CE1-CD2 4.28Å; F469-L478 HydrophobicContact CE2-CD2 3.59Å; F469-L478 HydrophobicContact CZ-CD1 4.32Å; F469-L478 HydrophobicContact CZ-CD2 3.71Å; L475-L478 HydrophobicContact CD2-CB 4.49Å; L478-L480 HydrophobicContact CD1-CD1 4.21Å; L478-L480 HydrophobicContact CD1-CG 4.02Å; L478-L480 HydrophobicContact CD2-CD1 3.9Å; L478-L480 HydrophobicContact CG-CD1 3.96Å; L478-L480 HydrophobicContact CG-CG 4.11Å; L478-F493 HydrophobicContact CD2-CE1 3.93Å; L478-L498 HydrophobicContact CB-CD1 4.23Å; L478-L498 HydrophobicContact CB-CD2 3.67Å; L478-L498 HydrophobicContact CD2-CD1 4Å; L478-R500 PolarHBondContact N-O 3.09Å; L478-L501 HydrophobicContact CB-CD1 4.32Å; L478-L501 HydrophobicContact CD2-CD1 4.06Å; L478-L501 HydrophobicContact CG-CD1 4.18Å; L478-N502 PolarHBondContact O-N 3.02Å
479	Y	91.9	Very high	92.8	Very high	59 Å²	59	35.9 Å²	35.9	23%	0.231	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117.8	175.8	-78.2	8.5	0	0	0	110.6	L454 Y455 L456 E457 L477 N502	L454-Y479 PolarHBondContact O-N 3.49Å; Y455-Y479 AromaticContact CD1-CD2 3.75Å; Y455-Y479 HydrophobicContact CD1-CD2 3.75Å; Y455-Y479 HydrophobicContact CD1-CE2 4.41Å; Y455-Y479 HydrophobicContact CD1-CG 4.23Å; Y455-Y479 AromaticContact CE1-CD2 3.8Å; Y455-Y479 HydrophobicContact CE1-CD2 3.8Å; Y455-Y479 HydrophobicContact CE1-CE2 4.02Å; Y455-Y479 HydrophobicContact CE1-CG 4.41Å; L456-Y479 CarbonylContact C-O 3.57Å; L456-Y479 WeakPolarHBondContact CA-O 3.2Å; L456-Y479 WeakPolarHBondContact CB-O 3.47Å; L456-Y479 PolarHBondContact N-O 2.96Å; E457-Y479 PolarHBondContact N-O 2.94Å; E457-Y479 WeakPolarHBondContact OE2-CB 3.43Å; L477-Y479 HydrophobicContact CD1-CE1 3.96Å; L477-Y479 HydrophobicContact CD2-CD1 3.62Å; L477-Y479 HydrophobicContact CD2-CD2 4.39Å; L477-Y479 HydrophobicContact CD2-CE1 3.79Å; L477-Y479 HydrophobicContact CD2-CG 3.95Å; L477-Y479 HydrophobicContact CG-CD1 4.06Å; L477-Y479 HydrophobicContact CG-CE1 3.84Å; Y479-N502 HydrophobicContact CD1-CB 3.54Å; Y479-N502 HydrophobicContact CE1-CB 3.94Å; Y479-N502 HydrophobicContact CG-CB 4.11Å
480	L	95.6	Very high	92.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.212	C	C	.	.			trans	-125.2	14.3	-179.8	-75.6	167.3	0	0	0	111.5	L440 L456 I461 I464 F469 L478 N483 L485 N502 L503 N506	L440-L480 HydrophobicContact CD1-CD2 4.43Å; L456-L480 HydrophobicContact CB-CD2 3.86Å; L456-L480 HydrophobicContact CD1-CD2 3.93Å; I461-L480 HydrophobicContact CD1-CD2 4.05Å; I464-L480 HydrophobicContact CD1-CD1 3.93Å; I464-L480 HydrophobicContact CD1-CD2 4.17Å; F469-L480 HydrophobicContact CZ-CD1 4.39Å; L478-L480 HydrophobicContact CD1-CD1 4.21Å; L478-L480 HydrophobicContact CD1-CG 4.02Å; L478-L480 HydrophobicContact CD2-CD1 3.9Å; L478-L480 HydrophobicContact CG-CD1 3.96Å; L478-L480 HydrophobicContact CG-CG 4.11Å; L480-N483 WeakPolarHBondContact O-CB 3.23Å; L480-N483 PolarHBondContact O-ND2 2.93Å; L480-L485 HydrophobicContact CB-CD1 4.18Å; L480-L485 HydrophobicContact CD1-CD1 4.26Å; L480-N502 CarbonylContact C-O 3.55Å; L480-N502 WeakPolarHBondContact CA-O 3.12Å; L480-N502 PolarHBondContact N-O 3.35Å; L480-L503 HydrophobicContact CB-CD2 4.01Å; L480-L503 HydrophobicContact CD1-CD2 4.03Å; L480-N506 PolarHBondContact O-ND2 2.78Å
481	N	91.1	Very high	92.4	Very high	8 Å²	8	42.9 Å²	42.9	4%	0.043	22%	0.22	C	C	.	.			trans	-71.5	154.5	-175.3	54.8	-78.2	0	0	0	113.9	E457 Y458 N483 N502 R504	E457-N481 WeakPolarHBondContact CA-O 3.26Å; E457-N481 VanDerWaalsContact CB-O 3.27Å; E457-N481 WeakPolarHBondContact CB-O 3.21Å; E457-N481 WeakPolarHBondContact CB-OD1 3.47Å; Y458-N481 PolarHBondContact N-O 3.34Å; N481-N483 PolarHBondContact O-ND2 2.91Å; N481-N502 WeakPolarHBondContact CB-OD1 3.49Å; N481-N502 PolarHBondContact N-O 2.9Å; N481-N502 PolarHBondContact OD1-ND2 3.47Å; N481-R504 CarbonylContact C-O 3.55Å; N481-R504 WeakPolarHBondContact CA-O 3.44Å; N481-R504 HydrophobicContact CB-CB 3.97Å; N481-R504 WeakPolarHBondContact CB-O 3.34Å
482	N	90.4	Very high	92.6	Very high	32 Å²	32	41.3 Å²	41.3	17%	0.171	21%	0.209	C	C	.	.	S	Bend	trans	55.1	55.1	-172.6	-47.9	-76	0	0	0	111.9	Y458 R504 N505	Y458-N482 WeakPolarHBondContact CA-O 3.23Å; Y458-N482 HydrophobicContact CD1-CB 3.57Å; Y458-N482 HydrophobicContact CE1-CB 3.64Å; Y458-N482 VanDerWaalsContact CE1-ND2 3.3Å; Y458-N482 WeakPolarHBondContact CE1-ND2 3.47Å; Y458-N482 HydrophobicContact CG-CB 4.15Å; Y458-N482 PolarHBondContact N-O 3.38Å; Y458-N482 PolarHBondContact OH-ND2 2.94Å; N482-R504 PolarHBondContact N-O 3.05Å; N482-N505 WeakPolarHBondContact CA-O 3.24Å; N482-N505 VanDerWaalsContact OD1-CB 3.29Å; N482-N505 WeakPolarHBondContact OD1-CB 3.05Å; N482-N505 PolarHBondContact OD1-ND2 2.91Å
483	N	95.5	Very high	92.5	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.027	21%	0.21	C	C	.	.	S	Bend	trans	-126.2	-168.9	173.8	-87.1	-77.4	0	0	0	109.5	L456 N459 L460 I461 L480 N481 L485 N506	L456-N483 PolarHBondContact O-ND2 3.24Å; N459-N483 WeakPolarHBondContact CA-OD1 3.38Å; N459-N483 WeakPolarHBondContact CB-OD1 3.28Å; N459-N483 PolarHBondContact O-OD1 3.41Å; L460-N483 PolarHBondContact N-OD1 3.09Å; I461-N483 HydrophobicContact CB-CB 4.36Å; I461-N483 WeakPolarHBondContact CB-OD1 3.49Å; I461-N483 WeakPolarHBondContact CD1-OD1 3.2Å; I461-N483 VanDerWaalsContact CG1-OD1 3.25Å; I461-N483 WeakPolarHBondContact CG1-OD1 3.24Å; I461-N483 PolarHBondContact N-OD1 3.23Å; L480-N483 WeakPolarHBondContact O-CB 3.23Å; L480-N483 PolarHBondContact O-ND2 2.93Å; N481-N483 PolarHBondContact O-ND2 2.91Å; N483-L485 HydrophobicContact CB-CG 4.38Å; N483-N506 WeakPolarHBondContact CA-OD1 3.4Å; N483-N506 WeakPolarHBondContact CB-OD1 3.19Å; N483-N506 PolarHBondContact O-OD1 3.46Å
484	L	96.3	Very high	92.3	Very high	66 Å²	66	41.8 Å²	41.8	35%	0.346	21%	0.214	S	C	.	.			trans	-115.8	20.9	-175.3	-59.3	177.1	0	0	0	112.8	L460 I461 K462 K486 N506	L460-L484 HydrophobicContact CB-CD1 4.44Å; L460-L484 HydrophobicContact CD2-CD1 4.39Å; I461-L484 CarbonylContact O-C 3.51Å; I461-L484 VanDerWaalsContact O-CA 3.29Å; I461-L484 WeakPolarHBondContact O-CA 3.26Å; I461-L484 PolarHBondContact O-N 2.72Å; K462-L484 HydrophobicContact CG-CB 3.94Å; K462-L484 HydrophobicContact CG-CD1 4.17Å; L484-K486 PolarHBondContact O-N 3Å; L484-N506 PolarHBondContact N-OD1 3.46Å
485	L	96.4	Very high	91.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.			trans	-65.4	131.5	-175.5	-60.1	172.6	0	0	0	111.3	I461 I464 L480 N483 L488 L503 N506 K507 F508	I461-L485 HydrophobicContact CB-CD2 4.25Å; I461-L485 HydrophobicContact CG2-CD2 3.69Å; I461-L485 PolarHBondContact O-N 3.02Å; I461-L485 VanDerWaalsContact O-N 3.11Å; I464-L485 HydrophobicContact CD1-CD1 3.99Å; I464-L485 HydrophobicContact CD1-CD2 3.8Å; I464-L485 HydrophobicContact CG1-CD2 3.76Å; L480-L485 HydrophobicContact CB-CD1 4.18Å; L480-L485 HydrophobicContact CD1-CD1 4.26Å; N483-L485 HydrophobicContact CB-CG 4.38Å; L485-L488 HydrophobicContact CD1-CD2 4.45Å; L485-L503 HydrophobicContact CD1-CD2 4.33Å; L485-N506 HydrophobicContact CB-CB 4.31Å; L485-N506 VanDerWaalsContact CB-OD1 3.27Å; L485-N506 WeakPolarHBondContact CB-OD1 3.23Å; L485-N506 WeakPolarHBondContact CG-OD1 3.43Å; L485-N506 PolarHBondContact N-OD1 3.43Å; L485-K507 CarbonylContact O-C 3.5Å; L485-K507 VanDerWaalsContact O-CA 3.23Å; L485-K507 WeakPolarHBondContact O-CA 3.36Å; L485-K507 PolarHBondContact O-N 2.79Å; L485-F508 HydrophobicContact CB-CE1 4.19Å; L485-F508 HydrophobicContact CB-CE2 3.84Å; L485-F508 HydrophobicContact CB-CZ 3.52Å; L485-F508 HydrophobicContact CD1-CE2 4.37Å; L485-F508 HydrophobicContact CD1-CZ 4.06Å; L485-F508 HydrophobicContact CG-CZ 4.44Å; L485-F508 PolarHBondContact O-N 3.42Å
486	K	93.3	Very high	91.5	Very high	143 Å²	143	40 Å²	40	62%	0.622	21%	0.212	S	C	*	.			trans	-104.1	-28	177.2	-62.8	-177	-179.9	-177.3	0	114	L484 K507 F508	L484-K486 PolarHBondContact O-N 3Å; K486-K507 HydrophobicContact CG-CB 4.11Å; K486-F508 WeakPolarHBondContact O-CD1 3.39Å
487	S	92.4	Very high	91.4	Very high	61 Å²	61	38.8 Å²	38.8	43%	0.427	21%	0.211	S	C	.	.			trans	-159.7	151	-173.3	53.4	0	0	0	0	109.3
488	L	94	Very high	91.5	Very high	10 Å²	10	38.3 Å²	38.3	5%	0.052	21%	0.208	C	C	.	.			trans	-105.4	145	168.2	-63.4	-176.8	0	0	0	109.7	I464 L485 I492 F493 L503 F508 L511 V516	I464-L488 HydrophobicContact CD1-CD2 4.17Å; L485-L488 HydrophobicContact CD1-CD2 4.45Å; L488-I492 HydrophobicContact CB-CG2 4.3Å; L488-F493 HydrophobicContact CD1-CE2 3.77Å; L488-F493 HydrophobicContact CD1-CZ 3.67Å; L488-L503 HydrophobicContact CD1-CD1 4.23Å; L488-F508 HydrophobicContact CD2-CE1 4.3Å; L488-F508 HydrophobicContact CD2-CZ 4.02Å; L488-F508 HydrophobicContact CG-CE1 3.93Å; L488-F508 HydrophobicContact CG-CZ 3.97Å; L488-L511 HydrophobicContact CB-CD1 4.45Å; L488-L511 HydrophobicContact CD1-CD1 4.15Å; L488-L511 HydrophobicContact CG-CD1 4.16Å; L488-V516 HydrophobicContact CB-CG1 4.23Å; L488-V516 HydrophobicContact CD1-CG1 4.19Å
489	P	92.3	Very high	91.1	Very high	30 Å²	30	39.5 Å²	39.5	20%	0.195	22%	0.219	C	C	.	.			trans	-74.7	156.9	176.6	31.5	-33.3	0	0	0	111.2	I464 A466 I492 V516	I464-P489 WeakPolarHBondContact O-CD 3.33Å; I464-P489 WeakPolarHBondContact O-CG 3.39Å; A466-P489 HydrophobicContact CB-CB 4.09Å; A466-P489 HydrophobicContact CB-CG 4.41Å; P489-I492 HydrophobicContact CG-CB 4.04Å; P489-I492 HydrophobicContact CG-CD1 4.08Å; P489-I492 HydrophobicContact CG-CG1 4.14Å; P489-I492 WeakPolarHBondContact O-CB 2.98Å; P489-I492 VanDerWaalsContact O-CG2 3.28Å; P489-I492 WeakPolarHBondContact O-CG2 3.11Å; P489-V516 WeakPolarHBondContact O-CG2 3.37Å
490	V	88.9	Confident	90.8	Very high	75 Å²	75	41.2 Å²	41.2	46%	0.455	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	143.5	176.8	-157.4	0	0	0	0	110	I492 G515	V490-I492 VanDerWaalsContact C-N 3.28Å; V490-I492 PolarHBondContact O-N 3.46Å; V490-G515 CarbonylContact C-O 3.39Å; V490-G515 WeakPolarHBondContact CA-O 3.4Å; V490-G515 VanDerWaalsContact CG1-O 3.27Å; V490-G515 WeakPolarHBondContact CG1-O 3.32Å
491	Y	88.3	Confident	90.6	Very high	149 Å²	149	41.3 Å²	41.3	58%	0.584	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.5	10	-178.8	-51.2	-71.5	0	0	0	116.5	F493 S494 G515	Y491-F493 PolarHBondContact O-N 3.21Å; Y491-F493 VanDerWaalsContact O-N 3.13Å; Y491-S494 VanDerWaalsContact O-CB 3.31Å; Y491-S494 WeakPolarHBondContact O-CB 3.36Å; Y491-S494 PolarHBondContact O-N 3.39Å; Y491-S494 PolarHBondContact O-OG 3.45Å; Y491-G515 PolarHBondContact N-O 3.19Å
492	I	92.7	Very high	90.5	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.8	-177.9	-168.5	52.3	0	0	0	115.8	I464 L465 F469 L488 P489 V490 V516	I464-I492 HydrophobicContact CG2-CD1 3.8Å; I464-I492 HydrophobicContact CG2-CG1 4.4Å; L465-I492 WeakPolarHBondContact O-CD1 3.41Å; F469-I492 HydrophobicContact CD2-CD1 3.75Å; F469-I492 HydrophobicContact CD2-CG1 3.76Å; F469-I492 WeakPolarHBondContact CD2-O 3.17Å; F469-I492 HydrophobicContact CE2-CD1 3.92Å; F469-I492 HydrophobicContact CE2-CG1 3.8Å; F469-I492 HydrophobicContact CG-CD1 4.49Å; L488-I492 HydrophobicContact CB-CG2 4.3Å; P489-I492 HydrophobicContact CG-CB 4.04Å; P489-I492 HydrophobicContact CG-CD1 4.08Å; P489-I492 HydrophobicContact CG-CG1 4.14Å; P489-I492 WeakPolarHBondContact O-CB 2.98Å; P489-I492 VanDerWaalsContact O-CG2 3.28Å; P489-I492 WeakPolarHBondContact O-CG2 3.11Å; V490-I492 VanDerWaalsContact C-N 3.28Å; V490-I492 PolarHBondContact O-N 3.46Å; I492-V516 HydrophobicContact CG2-CG1 4.01Å
493	F	91.7	Very high	90.6	Very high	3 Å²	3	40.5 Å²	40.5	1%	0.013	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	6.7	179.1	-57.2	-49.8	0	0	0	112.6	F469 L478 L488 Y491 G495 A496 L498 L501 V516 Q519 L520	F469-F493 HydrophobicContact CD2-CD1 4.03Å; F469-F493 AromaticContact CD2-CE1 3.91Å; F469-F493 HydrophobicContact CD2-CE1 3.91Å; F469-F493 HydrophobicContact CE2-CD1 4.48Å; F469-F493 AromaticContact CE2-CE1 3.9Å; F469-F493 HydrophobicContact CE2-CE1 3.9Å; L478-F493 HydrophobicContact CD2-CE1 3.93Å; L488-F493 HydrophobicContact CD1-CE2 3.77Å; L488-F493 HydrophobicContact CD1-CZ 3.67Å; Y491-F493 PolarHBondContact O-N 3.21Å; Y491-F493 VanDerWaalsContact O-N 3.13Å; F493-G495 PolarHBondContact O-N 3.43Å; F493-A496 PolarHBondContact O-N 3.02Å; F493-L498 HydrophobicContact CD1-CD1 3.48Å; F493-L498 VanDerWaalsContact CD1-CD1 3.48Å; F493-L498 HydrophobicContact CE1-CD1 3.6Å; F493-L498 HydrophobicContact CG-CD1 4.18Å; F493-L498 HydrophobicContact CZ-CD1 4.36Å; F493-L501 HydrophobicContact CE1-CD1 4.48Å; F493-L501 HydrophobicContact CE2-CD2 3.8Å; F493-L501 HydrophobicContact CZ-CD1 4.1Å; F493-L501 HydrophobicContact CZ-CD2 3.7Å; F493-V516 HydrophobicContact CD2-CG1 4.05Å; F493-V516 HydrophobicContact CE2-CG1 3.9Å; F493-Q519 HydrophobicContact CB-CB 4.2Å; F493-L520 HydrophobicContact CB-CD2 3.78Å; F493-L520 HydrophobicContact CD1-CD2 4.45Å; F493-L520 HydrophobicContact CD2-CD1 4.13Å; F493-L520 HydrophobicContact CD2-CD2 3.65Å; F493-L520 HydrophobicContact CD2-CG 3.98Å; F493-L520 HydrophobicContact CE2-CD1 4.28Å; F493-L520 HydrophobicContact CE2-CD2 4.33Å; F493-L520 HydrophobicContact CG-CD2 3.72Å; F493-L520 HydrophobicContact CG-CG 4.49Å
494	S	86	Confident	90.4	Very high	71 Å²	71	42 Å²	42	50%	0.497	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.2	-173.6	65.6	0	0	0	0	114	Y491 Q519	Y491-S494 VanDerWaalsContact O-CB 3.31Å; Y491-S494 WeakPolarHBondContact O-CB 3.36Å; Y491-S494 PolarHBondContact O-N 3.39Å; Y491-S494 PolarHBondContact O-OG 3.45Å; S494-Q519 VanDerWaalsContact N-OE1 3.13Å
495	G	81.6	Confident	90.1	Very high	29 Å²	29	41.4 Å²	41.4	30%	0.299	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-3.4	173.6	0	0	0	0	0	115.8	P473 F493	P473-G495 WeakPolarHBondContact CA-O 3.29Å; F493-G495 PolarHBondContact O-N 3.43Å
496	A	88.6	Confident	90	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.033	22%	0.223	C	C	.	.			trans	-123.9	109.9	-167.3	0	0	0	0	0	112.6	F469 L475 F493 L498	F469-A496 HydrophobicContact CB-CB 4.32Å; L475-A496 HydrophobicContact CB-CB 4.43Å; F493-A496 PolarHBondContact O-N 3.02Å; A496-L498 HydrophobicContact CB-CG 4.33Å; A496-L498 PolarHBondContact O-N 3.18Å
497	P	87.1	Confident	90.1	Very high	58 Å²	58	39.1 Å²	39.1	38%	0.377	21%	0.213	S	C	.	.			trans	-79.7	60	-177	35.2	-37	0	0	0	112.3	P473 L475 A499	P473-P497 WeakPolarHBondContact O-CD 3.45Å; P473-P497 WeakPolarHBondContact O-CG 3.39Å; L475-P497 CarbonylContact O-C 3.43Å; P497-A499 PolarHBondContact O-N 3.35Å
498	L	91.3	Very high	90.2	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.193	C	C	.	.			trans	-60.6	124.4	-176	-69.4	175.2	0	0	0	112.1	L475 L478 F493 A496 L501 L520 S522 L523	L475-L498 HydrophobicContact CB-CD2 4.41Å; L475-L498 HydrophobicContact CD2-CD2 3.93Å; L475-L498 HydrophobicContact CG-CD2 3.74Å; L475-L498 PolarHBondContact O-N 3.47Å; L478-L498 HydrophobicContact CB-CD1 4.23Å; L478-L498 HydrophobicContact CB-CD2 3.67Å; L478-L498 HydrophobicContact CD2-CD1 4Å; F493-L498 HydrophobicContact CD1-CD1 3.48Å; F493-L498 VanDerWaalsContact CD1-CD1 3.48Å; F493-L498 HydrophobicContact CE1-CD1 3.6Å; F493-L498 HydrophobicContact CG-CD1 4.18Å; F493-L498 HydrophobicContact CZ-CD1 4.36Å; A496-L498 HydrophobicContact CB-CG 4.33Å; A496-L498 PolarHBondContact O-N 3.18Å; L498-L501 HydrophobicContact CD1-CD1 4.38Å; L498-L520 HydrophobicContact CB-CD2 3.99Å; L498-L520 HydrophobicContact CD1-CD2 4.05Å; L498-S522 CarbonylContact O-C 3.48Å; L498-L523 PolarHBondContact O-N 2.97Å
499	A	87.5	Confident	90	Very high	26 Å²	26	40.9 Å²	40.9	22%	0.215	22%	0.216	C	C	.	.	S	Bend	trans	-88.9	-38	168.2	0	0	0	0	0	111.5	Q476 P497 S522 T524 Q525	Q476-A499 PolarHBondContact O-N 2.99Å; P497-A499 PolarHBondContact O-N 3.35Å; A499-S522 WeakPolarHBondContact CA-O 3.49Å; A499-T524 PolarHBondContact O-N 2.79Å; A499-T524 PolarHBondContact O-OG1 2.96Å; A499-T524 VanDerWaalsContact O-OG1 3.11Å; A499-Q525 PolarHBondContact O-N 3.17Å
500	R	85	Confident	90	Very high	94 Å²	94	45.1 Å²	45.1	36%	0.355	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	122.6	-178	-59	-170.8	175.2	168.2	-1.7	111.4	Q476 L477 L478 Q525	Q476-R500 PolarHBondContact O-N 3.18Å; L477-R500 WeakPolarHBondContact CA-O 3.44Å; L477-R500 HydrophobicContact CD1-CB 4.38Å; L477-R500 HydrophobicContact CG-CB 4.26Å; L478-R500 PolarHBondContact N-O 3.09Å; R500-Q525 WeakPolarHBondContact CA-O 3.49Å; R500-Q525 HydrophobicContact CB-CB 4.39Å; R500-Q525 HydrophobicContact CG-CB 3.97Å
501	L	92.1	Very high	90	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121.5	179.7	174.8	59.2	0	0	0	110.3	L478 F493 L498 L503 L520 L523 Q525 I526 D527	L478-L501 HydrophobicContact CB-CD1 4.32Å; L478-L501 HydrophobicContact CD2-CD1 4.06Å; L478-L501 HydrophobicContact CG-CD1 4.18Å; F493-L501 HydrophobicContact CE1-CD1 4.48Å; F493-L501 HydrophobicContact CE2-CD2 3.8Å; F493-L501 HydrophobicContact CZ-CD1 4.1Å; F493-L501 HydrophobicContact CZ-CD2 3.7Å; L498-L501 HydrophobicContact CD1-CD1 4.38Å; L501-L503 HydrophobicContact CD1-CD2 4.26Å; L501-L503 HydrophobicContact CD1-CG 4.13Å; L501-L503 HydrophobicContact CD2-CD1 4.1Å; L501-L503 HydrophobicContact CG-CD1 4.25Å; L501-L503 HydrophobicContact CG-CG 4.12Å; L501-L520 HydrophobicContact CD2-CD1 3.8Å; L501-L523 HydrophobicContact CB-CD1 4.21Å; L501-Q525 PolarHBondContact N-O 3.34Å; L501-I526 HydrophobicContact CB-CG1 4.29Å; L501-I526 HydrophobicContact CD2-CD1 3.98Å; L501-I526 HydrophobicContact CD2-CG1 4.36Å; L501-I526 HydrophobicContact CG-CD1 4.49Å; L501-I526 HydrophobicContact CG-CG1 4.33Å; L501-I526 VanDerWaalsContact O-CA 3.3Å; L501-I526 WeakPolarHBondContact O-CA 3.4Å; L501-D527 PolarHBondContact O-N 3.27Å; L501-D527 VanDerWaalsContact O-N 3.14Å
502	N	88.3	Confident	90.1	Very high	23 Å²	23	36.8 Å²	36.8	12%	0.123	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	114.1	177.6	-163.3	-19.8	0	0	0	111.7	L478 Y479 L480 N481 R504	L478-N502 PolarHBondContact O-N 3.02Å; Y479-N502 HydrophobicContact CD1-CB 3.54Å; Y479-N502 HydrophobicContact CE1-CB 3.94Å; Y479-N502 HydrophobicContact CG-CB 4.11Å; L480-N502 CarbonylContact C-O 3.55Å; L480-N502 WeakPolarHBondContact CA-O 3.12Å; L480-N502 PolarHBondContact N-O 3.35Å; N481-N502 WeakPolarHBondContact CB-OD1 3.49Å; N481-N502 PolarHBondContact N-O 2.9Å; N481-N502 PolarHBondContact OD1-ND2 3.47Å; N502-R504 WeakPolarHBondContact OD1-CB 3.46Å; N502-R504 PolarHBondContact OD1-N 3Å
503	L	93.5	Very high	89.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.			trans	-116.7	11.1	178.4	-63.7	171	0	0	0	112.2	L480 L485 L488 L501 N506 F508 L511 D527 L528 N531	L480-L503 HydrophobicContact CB-CD2 4.01Å; L480-L503 HydrophobicContact CD1-CD2 4.03Å; L485-L503 HydrophobicContact CD1-CD2 4.33Å; L488-L503 HydrophobicContact CD1-CD1 4.23Å; L501-L503 HydrophobicContact CD1-CD2 4.26Å; L501-L503 HydrophobicContact CD1-CG 4.13Å; L501-L503 HydrophobicContact CD2-CD1 4.1Å; L501-L503 HydrophobicContact CG-CD1 4.25Å; L501-L503 HydrophobicContact CG-CG 4.12Å; L503-N506 PolarHBondContact O-ND2 3.5Å; L503-F508 HydrophobicContact CB-CE2 4Å; L503-F508 HydrophobicContact CD1-CE2 4.3Å; L503-F508 HydrophobicContact CD1-CZ 4.48Å; L503-F508 HydrophobicContact CD2-CE2 3.95Å; L503-F508 HydrophobicContact CD2-CZ 4.12Å; L503-F508 HydrophobicContact CG-CE2 4.31Å; L503-L511 HydrophobicContact CD1-CD2 4.1Å; L503-D527 PolarHBondContact N-O 3.03Å; L503-L528 HydrophobicContact CB-CD2 4.12Å; L503-L528 HydrophobicContact CD1-CD2 3.96Å; L503-N531 PolarHBondContact O-ND2 2.81Å
504	R	90.4	Very high	89.6	Confident	37 Å²	37	42.4 Å²	42.4	14%	0.14	23%	0.233	C	C	.	.			trans	-52.2	145	-179.5	178.2	169.1	-174.2	-146.4	8.7	112.7	N481 N482 N502 N506 D527 E529	N481-R504 CarbonylContact C-O 3.55Å; N481-R504 WeakPolarHBondContact CA-O 3.44Å; N481-R504 HydrophobicContact CB-CB 3.97Å; N481-R504 WeakPolarHBondContact CB-O 3.34Å; N482-R504 PolarHBondContact N-O 3.05Å; N502-R504 WeakPolarHBondContact OD1-CB 3.46Å; N502-R504 PolarHBondContact OD1-N 3Å; R504-N506 PolarHBondContact O-N 3.25Å; R504-N506 PolarHBondContact O-ND2 3.31Å; R504-D527 WeakPolarHBondContact CD-OD2 3.46Å; R504-D527 PolarHBondContact N-O 3.03Å; R504-E529 CarbonylContact C-O 3.47Å; R504-E529 VanDerWaalsContact CA-O 3.25Å; R504-E529 WeakPolarHBondContact CA-O 3.46Å; R504-E529 HydrophobicContact CG-CB 4.02Å; R504-E529 IonicContact CZ-OE1 3.39Å; R504-E529 IonicContact CZ-OE2 3.77Å; R504-E529 VanDerWaalsContact CZ-OE2 3.29Å; R504-E529 IonicContact NE-OE1 3.67Å; R504-E529 PolarHBondContact NE-OE1 3.32Å; R504-E529 IonicContact NE-OE2 3.2Å; R504-E529 PolarHBondContact NE-OE2 3.12Å; R504-E529 VanDerWaalsContact NE-OE2 3.09Å; R504-E529 VanDerWaalsContact NH2-CD 3.34Å; R504-E529 IonicContact NH2-OE1 2.62Å; R504-E529 PolarHBondContact NH2-OE1 3.32Å; R504-E529 IonicContact NH2-OE2 3.58Å; R504-E529 PolarHBondContact NH2-OE2 2.92Å
505	N	90.9	Very high	89.4	Confident	53 Å²	53	39.2 Å²	39.2	28%	0.283	21%	0.211	S	C	.	.	S	Bend	trans	54.6	48	176.1	-61.5	-9.2	0	0	0	113.7	N482 E529	N482-N505 WeakPolarHBondContact CA-O 3.24Å; N482-N505 VanDerWaalsContact OD1-CB 3.29Å; N482-N505 WeakPolarHBondContact OD1-CB 3.05Å; N482-N505 PolarHBondContact OD1-ND2 2.91Å; N505-E529 PolarHBondContact N-O 2.99Å
506	N	95.1	Very high	89.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-105.1	-151.4	171.2	-89.9	-82	0	0	0	110	L480 N483 L484 L485 L503 R504 F508 N531	L480-N506 PolarHBondContact O-ND2 2.78Å; N483-N506 WeakPolarHBondContact CA-OD1 3.4Å; N483-N506 WeakPolarHBondContact CB-OD1 3.19Å; N483-N506 PolarHBondContact O-OD1 3.46Å; L484-N506 PolarHBondContact N-OD1 3.46Å; L485-N506 HydrophobicContact CB-CB 4.31Å; L485-N506 VanDerWaalsContact CB-OD1 3.27Å; L485-N506 WeakPolarHBondContact CB-OD1 3.23Å; L485-N506 WeakPolarHBondContact CG-OD1 3.43Å; L485-N506 PolarHBondContact N-OD1 3.43Å; L503-N506 PolarHBondContact O-ND2 3.5Å; R504-N506 PolarHBondContact O-N 3.25Å; R504-N506 PolarHBondContact O-ND2 3.31Å; N506-F508 HydrophobicContact CB-CD2 3.62Å; N506-F508 HydrophobicContact CB-CE2 3.64Å; N506-N531 WeakPolarHBondContact CA-OD1 3.48Å; N506-N531 WeakPolarHBondContact CB-OD1 3.47Å; N506-N531 PolarHBondContact N-OD1 3.43Å; N506-N531 VanDerWaalsContact N-OD1 3.13Å; N506-N531 PolarHBondContact O-OD1 2.93Å
507	K	95.3	Very high	89.8	Confident	95 Å²	95	37.7 Å²	37.7	41%	0.413	20%	0.196	S	C	.	.			trans	-129.2	30	178.7	-61	-69.2	151	-115.4	0	112	L485 K486 M509 N531	L485-K507 CarbonylContact O-C 3.5Å; L485-K507 VanDerWaalsContact O-CA 3.23Å; L485-K507 WeakPolarHBondContact O-CA 3.36Å; L485-K507 PolarHBondContact O-N 2.79Å; K486-K507 HydrophobicContact CG-CB 4.11Å; K507-M509 PolarHBondContact O-N 2.99Å; K507-N531 PolarHBondContact N-OD1 2.73Å
508	F	93.5	Very high	89.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.197	C	C	.	.			trans	-67.9	120.2	174.8	-66.3	-73.3	0	0	0	111.1	L485 K486 L488 L503 N506 L511 N531 P532 W533	L485-F508 HydrophobicContact CB-CE1 4.19Å; L485-F508 HydrophobicContact CB-CE2 3.84Å; L485-F508 HydrophobicContact CB-CZ 3.52Å; L485-F508 HydrophobicContact CD1-CE2 4.37Å; L485-F508 HydrophobicContact CD1-CZ 4.06Å; L485-F508 HydrophobicContact CG-CZ 4.44Å; L485-F508 PolarHBondContact O-N 3.42Å; K486-F508 WeakPolarHBondContact O-CD1 3.39Å; L488-F508 HydrophobicContact CD2-CE1 4.3Å; L488-F508 HydrophobicContact CD2-CZ 4.02Å; L488-F508 HydrophobicContact CG-CE1 3.93Å; L488-F508 HydrophobicContact CG-CZ 3.97Å; L503-F508 HydrophobicContact CB-CE2 4Å; L503-F508 HydrophobicContact CD1-CE2 4.3Å; L503-F508 HydrophobicContact CD1-CZ 4.48Å; L503-F508 HydrophobicContact CD2-CE2 3.95Å; L503-F508 HydrophobicContact CD2-CZ 4.12Å; L503-F508 HydrophobicContact CG-CE2 4.31Å; N506-F508 HydrophobicContact CB-CD2 3.62Å; N506-F508 HydrophobicContact CB-CE2 3.64Å; F508-L511 HydrophobicContact CD1-CD1 4.05Å; F508-L511 HydrophobicContact CE1-CD1 3.97Å; F508-N531 HydrophobicContact CB-CB 4.29Å; F508-N531 WeakPolarHBondContact CD2-OD1 3.48Å; F508-N531 PolarHBondContact N-OD1 2.88Å; F508-P532 CarbonylContact O-C 3.07Å; F508-P532 VanDerWaalsContact O-CD 3.28Å; F508-P532 WeakPolarHBondContact O-CD 3.45Å; F508-W533 HydrophobicContact CB-CH2 3.72Å; F508-W533 HydrophobicContact CB-CZ2 4.29Å; F508-W533 HydrophobicContact CB-CZ3 3.9Å; F508-W533 HydrophobicContact CG-CH2 4.45Å
509	M	90.9	Very high	89.5	Confident	107 Å²	107	40 Å²	40	53%	0.527	20%	0.204	S	C	.	.	S	Bend	trans	-90	-39.8	169.1	-70.7	167.3	168.5	0	0	110.8	K507 P532 W533 D534	K507-M509 PolarHBondContact O-N 2.99Å; M509-P532 WeakPolarHBondContact CA-O 3.4Å; M509-P532 HydrophobicContact CG-CG 4.39Å; M509-W533 WeakPolarHBondContact O-CA 3.46Å; M509-D534 HydrophobicContact CB-CB 4.29Å; M509-D534 PolarHBondContact O-N 3.41Å
510	Y	90.6	Very high	89.5	Confident	120 Å²	120	39.5 Å²	39.5	47%	0.471	20%	0.197	S	C	.	.			trans	-140.4	157.8	170.9	64.1	-86.5	0	0	0	109
511	L	90.9	Very high	89.3	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.021	22%	0.22	C	C	.	.			trans	-136.1	110.6	178	-171.9	62	0	0	0	107.8	L488 L503 F508 L517 L528 W533 L542	L488-L511 HydrophobicContact CB-CD1 4.45Å; L488-L511 HydrophobicContact CD1-CD1 4.15Å; L488-L511 HydrophobicContact CG-CD1 4.16Å; L503-L511 HydrophobicContact CD1-CD2 4.1Å; F508-L511 HydrophobicContact CD1-CD1 4.05Å; F508-L511 HydrophobicContact CE1-CD1 3.97Å; L511-L517 HydrophobicContact CD2-CD1 3.94Å; L511-L517 HydrophobicContact CD2-CD2 4.11Å; L511-L517 HydrophobicContact CD2-CG 4.43Å; L511-L517 HydrophobicContact CG-CD1 3.98Å; L511-L517 HydrophobicContact CG-CG 4.4Å; L511-L528 HydrophobicContact CD2-CD2 3.97Å; L511-W533 HydrophobicContact CB-CH2 3.91Å; L511-W533 HydrophobicContact CB-CZ3 3.8Å; L511-W533 HydrophobicContact CD2-CH2 4.26Å; L511-L542 HydrophobicContact CB-CD2 4.43Å
512	P	88.4	Confident	88.9	Confident	45 Å²	45	46.6 Å²	46.6	29%	0.292	24%	0.242	S	C	.	.			trans	-66	138	-176.6	26.9	-34.4	0	0	0	110.4	V516	P512-V516 HydrophobicContact CG-CG2 4.07Å
513	V	87.2	Confident	88.7	Confident	22 Å²	22	46.2 Å²	46.2	13%	0.133	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-48.9	173.6	172.6	0	0	0	0	110.8	G515 V516 L517 D518 A541 L542 W545	V513-G515 PolarHBondContact O-N 2.98Å; V513-V516 PolarHBondContact O-N 3.17Å; V513-L517 HydrophobicContact CG1-CB 4.44Å; V513-L517 HydrophobicContact CG2-CD1 4.08Å; V513-L517 PolarHBondContact O-N 3.36Å; V513-D518 PolarHBondContact O-N 2.78Å; V513-A541 HydrophobicContact CG2-CB 4.38Å; V513-A541 WeakPolarHBondContact CG2-O 3.45Å; V513-L542 HydrophobicContact CG2-CB 4.41Å; V513-L542 HydrophobicContact CG2-CD1 4.33Å; V513-W545 HydrophobicContact CB-CB 4.36Å; V513-W545 HydrophobicContact CG1-CB 3.88Å; V513-W545 HydrophobicContact CG1-CG 3.76Å; V513-W545 HydrophobicContact CG2-CB 3.54Å; V513-W545 HydrophobicContact CG2-CD2 4.43Å; V513-W545 HydrophobicContact CG2-CG 3.9Å
514	S	86.6	Confident	88.1	Confident	99 Å²	99	49.9 Å²	49.9	69%	0.692	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	126.7	-175.2	-168	0	0	0	0	111	V516 D518	S514-V516 VanDerWaalsContact C-N 3.29Å; S514-V516 PolarHBondContact O-N 2.93Å; S514-D518 VanDerWaalsContact CA-OD2 3.3Å; S514-D518 WeakPolarHBondContact CA-OD2 3.44Å
515	G	83.8	Confident	87.7	Confident	4 Å²	4	49.8 Å²	49.8	4%	0.041	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	13.3	-176.4	0	0	0	0	0	114.9	V490 Y491 V513 D518 Q519	V490-G515 CarbonylContact C-O 3.39Å; V490-G515 WeakPolarHBondContact CA-O 3.4Å; V490-G515 VanDerWaalsContact CG1-O 3.27Å; V490-G515 WeakPolarHBondContact CG1-O 3.32Å; Y491-G515 PolarHBondContact N-O 3.19Å; V513-G515 PolarHBondContact O-N 2.98Å; G515-D518 VanDerWaalsContact CA-OD1 3.29Å; G515-D518 WeakPolarHBondContact CA-OD1 3.45Å; G515-D518 PolarHBondContact N-OD1 3.03Å; G515-D518 PolarHBondContact N-OD2 3.04Å; G515-Q519 VanDerWaalsContact CA-NE2 3.34Å; G515-Q519 PolarHBondContact O-NE2 3.19Å
516	V	89.6	Confident	87.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.7	-68.5	172.1	178.3	0	0	0	0	110.8	L488 P489 I492 F493 P512 V513 S514 D518 Q519	L488-V516 HydrophobicContact CB-CG1 4.23Å; L488-V516 HydrophobicContact CD1-CG1 4.19Å; P489-V516 WeakPolarHBondContact O-CG2 3.37Å; I492-V516 HydrophobicContact CG2-CG1 4.01Å; F493-V516 HydrophobicContact CD2-CG1 4.05Å; F493-V516 HydrophobicContact CE2-CG1 3.9Å; P512-V516 HydrophobicContact CG-CG2 4.07Å; V513-V516 PolarHBondContact O-N 3.17Å; S514-V516 VanDerWaalsContact C-N 3.29Å; S514-V516 PolarHBondContact O-N 2.93Å; V516-D518 PolarHBondContact N-OD1 3.3Å; V516-Q519 PolarHBondContact O-N 3.36Å
517	L	88.4	Confident	87	Confident	1 Å²	1	48 Å²	48	1%	0.005	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-81.6	-19.7	-176.3	-58.7	173.3	0	0	0	113	L511 V513 Q519 L520 I526 L542 W545	L511-L517 HydrophobicContact CD2-CD1 3.94Å; L511-L517 HydrophobicContact CD2-CD2 4.11Å; L511-L517 HydrophobicContact CD2-CG 4.43Å; L511-L517 HydrophobicContact CG-CD1 3.98Å; L511-L517 HydrophobicContact CG-CG 4.4Å; V513-L517 HydrophobicContact CG1-CB 4.44Å; V513-L517 HydrophobicContact CG2-CD1 4.08Å; V513-L517 PolarHBondContact O-N 3.36Å; L517-Q519 PolarHBondContact O-N 3.02Å; L517-L520 HydrophobicContact CD2-CD1 3.67Å; L517-L520 PolarHBondContact O-N 3.33Å; L517-I526 HydrophobicContact CD2-CD1 4.05Å; L517-L542 HydrophobicContact CD1-CD1 3.36Å; L517-W545 HydrophobicContact CB-CD2 4.15Å; L517-W545 HydrophobicContact CB-CE3 4.48Å; L517-W545 HydrophobicContact CB-CH2 4.07Å; L517-W545 HydrophobicContact CB-CZ2 3.69Å; L517-W545 HydrophobicContact CB-CZ3 4.44Å; L517-W545 HydrophobicContact CD1-CD2 4.32Å; L517-W545 HydrophobicContact CD1-CE3 3.93Å; L517-W545 HydrophobicContact CD1-CH2 4.21Å; L517-W545 HydrophobicContact CD1-CZ3 3.87Å; L517-W545 HydrophobicContact CD2-CH2 4.14Å; L517-W545 HydrophobicContact CG-CH2 4.38Å; L517-W545 HydrophobicContact CG-CZ2 4.48Å; L517-W545 PolarHBondContact O-NE1 3.06Å
518	D	86.1	Confident	86.7	Confident	74 Å²	74	43.5 Å²	43.5	40%	0.396	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-70	-13.4	171.7	62.8	-2.4	0	0	0	114.2	V513 S514 G515 V516	V513-D518 PolarHBondContact O-N 2.78Å; S514-D518 VanDerWaalsContact CA-OD2 3.3Å; S514-D518 WeakPolarHBondContact CA-OD2 3.44Å; G515-D518 VanDerWaalsContact CA-OD1 3.29Å; G515-D518 WeakPolarHBondContact CA-OD1 3.45Å; G515-D518 PolarHBondContact N-OD1 3.03Å; G515-D518 PolarHBondContact N-OD2 3.04Å; V516-D518 PolarHBondContact N-OD1 3.3Å
519	Q	86.1	Confident	86.5	Confident	34 Å²	34	45.7 Å²	45.7	16%	0.159	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-81.7	-20.1	173.6	-73	149.1	32.2	0	0	113.3	F493 S494 G515 V516 L517 Q521	F493-Q519 HydrophobicContact CB-CB 4.2Å; S494-Q519 VanDerWaalsContact N-OE1 3.13Å; G515-Q519 VanDerWaalsContact CA-NE2 3.34Å; G515-Q519 PolarHBondContact O-NE2 3.19Å; V516-Q519 PolarHBondContact O-N 3.36Å; L517-Q519 PolarHBondContact O-N 3.02Å; Q519-Q521 PolarHBondContact O-N 3.04Å
520	L	86.1	Confident	86.3	Confident	14 Å²	14	42.7 Å²	42.7	7%	0.073	24%	0.241	C	C	.	.			trans	-79.7	61	-172.7	-61.3	175.8	0	0	0	111.9	F493 L498 L501 L517 S522 L523	F493-L520 HydrophobicContact CB-CD2 3.78Å; F493-L520 HydrophobicContact CD1-CD2 4.45Å; F493-L520 HydrophobicContact CD2-CD1 4.13Å; F493-L520 HydrophobicContact CD2-CD2 3.65Å; F493-L520 HydrophobicContact CD2-CG 3.98Å; F493-L520 HydrophobicContact CE2-CD1 4.28Å; F493-L520 HydrophobicContact CE2-CD2 4.33Å; F493-L520 HydrophobicContact CG-CD2 3.72Å; F493-L520 HydrophobicContact CG-CG 4.49Å; L498-L520 HydrophobicContact CB-CD2 3.99Å; L498-L520 HydrophobicContact CD1-CD2 4.05Å; L501-L520 HydrophobicContact CD2-CD1 3.8Å; L517-L520 HydrophobicContact CD2-CD1 3.67Å; L517-L520 PolarHBondContact O-N 3.33Å; L520-S522 VanDerWaalsContact C-N 3.3Å; L520-S522 PolarHBondContact O-N 2.78Å; L520-L523 HydrophobicContact CB-CB 4.05Å; L520-L523 HydrophobicContact CB-CD1 4.41Å; L520-L523 HydrophobicContact CB-CD2 4.01Å; L520-L523 HydrophobicContact CB-CG 4.41Å; L520-L523 HydrophobicContact CD1-CD1 4.33Å; L520-L523 HydrophobicContact CD1-CD2 4.03Å; L520-L523 VanDerWaalsContact O-CB 3.3Å; L520-L523 WeakPolarHBondContact O-CB 3.26Å; L520-L523 PolarHBondContact O-N 3.23Å
521	Q	81.3	Confident	86.3	Confident	179 Å²	179	37.3 Å²	37.3	84%	0.836	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-19.9	-173.5	-63	179.4	24.6	0	0	114	Q519	Q519-Q521 PolarHBondContact O-N 3.04Å
522	S	83.1	Confident	86.4	Confident	67 Å²	67	37.6 Å²	37.6	47%	0.469	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	8.9	-179.5	-55.7	0	0	0	0	113.6	L498 A499 L520 T524	L498-S522 CarbonylContact O-C 3.48Å; A499-S522 WeakPolarHBondContact CA-O 3.49Å; L520-S522 VanDerWaalsContact C-N 3.3Å; L520-S522 PolarHBondContact O-N 2.78Å; S522-T524 PolarHBondContact O-N 3.15Å
523	L	84.7	Confident	86.6	Confident	15 Å²	15	35.7 Å²	35.7	8%	0.079	21%	0.209	C	C	.	.			trans	-68.8	122.6	-169.5	-165.8	69.7	0	0	0	112.4	L498 L501 L520 Q525 I526 W545 I553	L498-L523 PolarHBondContact O-N 2.97Å; L501-L523 HydrophobicContact CB-CD1 4.21Å; L520-L523 HydrophobicContact CB-CB 4.05Å; L520-L523 HydrophobicContact CB-CD1 4.41Å; L520-L523 HydrophobicContact CB-CD2 4.01Å; L520-L523 HydrophobicContact CB-CG 4.41Å; L520-L523 HydrophobicContact CD1-CD1 4.33Å; L520-L523 HydrophobicContact CD1-CD2 4.03Å; L520-L523 VanDerWaalsContact O-CB 3.3Å; L520-L523 WeakPolarHBondContact O-CB 3.26Å; L520-L523 PolarHBondContact O-N 3.23Å; L523-Q525 WeakPolarHBondContact CD1-O 3.34Å; L523-I526 HydrophobicContact CD1-CB 4.41Å; L523-I526 HydrophobicContact CD2-CB 4.03Å; L523-I526 HydrophobicContact CD2-CD1 4.38Å; L523-I526 HydrophobicContact CD2-CG2 4.02Å; L523-I526 HydrophobicContact CG-CB 4.49Å; L523-W545 HydrophobicContact CD2-CH2 3.81Å; L523-W545 HydrophobicContact CD2-CZ2 3.97Å; L523-I553 VanDerWaalsContact O-CD1 3.28Å; L523-I553 WeakPolarHBondContact O-CD1 3.39Å
524	T	81.8	Confident	86.7	Confident	78 Å²	78	36.6 Å²	36.6	48%	0.479	21%	0.213	S	C	.	.	S	Bend	trans	-108.7	-21.7	173.1	58.9	0	0	0	0	112.6	A499 S522	A499-T524 PolarHBondContact O-N 2.79Å; A499-T524 PolarHBondContact O-OG1 2.96Å; A499-T524 VanDerWaalsContact O-OG1 3.11Å; S522-T524 PolarHBondContact O-N 3.15Å
525	Q	81.3	Confident	86.8	Confident	35 Å²	35	32 Å²	32	16%	0.164	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	133.1	179	-165.4	179.6	11.1	0	0	112.1	A499 R500 L501 L523 V554	A499-Q525 PolarHBondContact O-N 3.17Å; R500-Q525 WeakPolarHBondContact CA-O 3.49Å; R500-Q525 HydrophobicContact CB-CB 4.39Å; R500-Q525 HydrophobicContact CG-CB 3.97Å; L501-Q525 PolarHBondContact N-O 3.34Å; L523-Q525 WeakPolarHBondContact CD1-O 3.34Å; Q525-V554 HydrophobicContact CG-CB 4.41Å
526	I	86.9	Confident	87	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	115.2	169.6	-169.1	176	0	0	0	112.1	L501 L517 L523 L528 W545 L549 I553 V555	L501-I526 HydrophobicContact CB-CG1 4.29Å; L501-I526 HydrophobicContact CD2-CD1 3.98Å; L501-I526 HydrophobicContact CD2-CG1 4.36Å; L501-I526 HydrophobicContact CG-CD1 4.49Å; L501-I526 HydrophobicContact CG-CG1 4.33Å; L501-I526 VanDerWaalsContact O-CA 3.3Å; L501-I526 WeakPolarHBondContact O-CA 3.4Å; L517-I526 HydrophobicContact CD2-CD1 4.05Å; L523-I526 HydrophobicContact CD1-CB 4.41Å; L523-I526 HydrophobicContact CD2-CB 4.03Å; L523-I526 HydrophobicContact CD2-CD1 4.38Å; L523-I526 HydrophobicContact CD2-CG2 4.02Å; L523-I526 HydrophobicContact CG-CB 4.49Å; I526-L528 HydrophobicContact CD1-CD1 4.44Å; I526-L528 HydrophobicContact CD1-CD2 3.95Å; I526-L528 HydrophobicContact CD1-CG 4.28Å; I526-L528 HydrophobicContact CG1-CD2 3.98Å; I526-L528 HydrophobicContact CG1-CG 4.09Å; I526-W545 HydrophobicContact CD1-CH2 3.95Å; I526-W545 HydrophobicContact CD1-CZ3 4.33Å; I526-W545 HydrophobicContact CG2-CH2 4.24Å; I526-W545 HydrophobicContact CG2-CZ3 4.46Å; I526-L549 HydrophobicContact CG2-CD1 4.45Å; I526-I553 HydrophobicContact CG2-CG2 4.09Å; I526-V555 HydrophobicContact CG2-CG2 3.6Å
527	D	84.4	Confident	86.8	Confident	15 Å²	15	36.3 Å²	36.3	8%	0.08	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.2	174.9	-165.9	-18.1	0	0	0	110	L501 L503 R504 E529 K556	L501-D527 PolarHBondContact O-N 3.27Å; L501-D527 VanDerWaalsContact O-N 3.14Å; L503-D527 PolarHBondContact N-O 3.03Å; R504-D527 WeakPolarHBondContact CD-OD2 3.46Å; R504-D527 PolarHBondContact N-O 3.03Å; D527-E529 WeakPolarHBondContact OD1-CB 3.18Å; D527-E529 PolarHBondContact OD1-N 2.95Å; D527-K556 IonicContact OD2-NZ 2.7Å; D527-K556 PolarHBondContact OD2-NZ 3.43Å; D527-K556 VanDerWaalsContact OD2-NZ 3.14Å
528	L	89.8	Confident	86.6	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.239	C	C	.	.			trans	-124.5	4.7	-175.5	-64.3	-179	0	0	0	112.2	L503 L511 I526 N531 W533 L546 V555 L558	L503-L528 HydrophobicContact CB-CD2 4.12Å; L503-L528 HydrophobicContact CD1-CD2 3.96Å; L511-L528 HydrophobicContact CD2-CD2 3.97Å; I526-L528 HydrophobicContact CD1-CD1 4.44Å; I526-L528 HydrophobicContact CD1-CD2 3.95Å; I526-L528 HydrophobicContact CD1-CG 4.28Å; I526-L528 HydrophobicContact CG1-CD2 3.98Å; I526-L528 HydrophobicContact CG1-CG 4.09Å; L528-N531 PolarHBondContact O-ND2 3.07Å; L528-N531 VanDerWaalsContact O-ND2 3.12Å; L528-W533 HydrophobicContact CB-CZ2 4Å; L528-W533 HydrophobicContact CD2-CZ2 4.48Å; L528-W533 PolarHBondContact O-NE1 3.16Å; L528-L546 HydrophobicContact CD1-CD2 4.43Å; L528-V555 HydrophobicContact CD1-CG1 4.41Å; L528-L558 HydrophobicContact CB-CD2 3.58Å; L528-L558 HydrophobicContact CB-CG 4.49Å; L528-L558 HydrophobicContact CD1-CD1 4.35Å; L528-L558 HydrophobicContact CD1-CD2 4.21Å
529	E	87.9	Confident	86.7	Confident	47 Å²	47	38.6 Å²	38.6	22%	0.22	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	155.5	-173.8	-163	-147.3	108.4	0	0	112.1	R504 N505 D527 N531 K556	R504-E529 CarbonylContact C-O 3.47Å; R504-E529 VanDerWaalsContact CA-O 3.25Å; R504-E529 WeakPolarHBondContact CA-O 3.46Å; R504-E529 HydrophobicContact CG-CB 4.02Å; R504-E529 IonicContact CZ-OE1 3.39Å; R504-E529 IonicContact CZ-OE2 3.77Å; R504-E529 VanDerWaalsContact CZ-OE2 3.29Å; R504-E529 IonicContact NE-OE1 3.67Å; R504-E529 PolarHBondContact NE-OE1 3.32Å; R504-E529 IonicContact NE-OE2 3.2Å; R504-E529 PolarHBondContact NE-OE2 3.12Å; R504-E529 VanDerWaalsContact NE-OE2 3.09Å; R504-E529 VanDerWaalsContact NH2-CD 3.34Å; R504-E529 IonicContact NH2-OE1 2.62Å; R504-E529 PolarHBondContact NH2-OE1 3.32Å; R504-E529 IonicContact NH2-OE2 3.58Å; R504-E529 PolarHBondContact NH2-OE2 2.92Å; N505-E529 PolarHBondContact N-O 2.99Å; D527-E529 WeakPolarHBondContact OD1-CB 3.18Å; D527-E529 PolarHBondContact OD1-N 2.95Å; E529-N531 VanDerWaalsContact C-N 3.29Å; E529-N531 PolarHBondContact O-N 3.21Å; E529-N531 PolarHBondContact O-ND2 3.03Å; E529-K556 HydrophobicContact CB-CB 4.48Å; E529-K556 HydrophobicContact CB-CD 4.41Å; E529-K556 HydrophobicContact CG-CB 4.44Å; E529-K556 HydrophobicContact CG-CD 4.3Å; E529-K556 WeakPolarHBondContact OE2-CD 3.1Å; E529-K556 WeakPolarHBondContact OE2-CE 3.48Å; E529-K556 IonicContact OE2-NZ 3.21Å; E529-K556 PolarHBondContact OE2-NZ 3.01Å
530	G	86.7	Confident	86.8	Confident	44 Å²	44	37.6 Å²	37.6	45%	0.454	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	66	23.1	172.1	0	0	0	0	0	116.1
531	N	92.1	Very high	86.8	Confident	7 Å²	7	39.4 Å²	39.4	4%	0.037	23%	0.234	C	C	.	.			trans	-101.8	146.7	173.6	-81.7	-76	0	0	0	111.3	L503 N506 K507 F508 L528 E529 W533	L503-N531 PolarHBondContact O-ND2 2.81Å; N506-N531 WeakPolarHBondContact CA-OD1 3.48Å; N506-N531 WeakPolarHBondContact CB-OD1 3.47Å; N506-N531 PolarHBondContact N-OD1 3.43Å; N506-N531 VanDerWaalsContact N-OD1 3.13Å; N506-N531 PolarHBondContact O-OD1 2.93Å; K507-N531 PolarHBondContact N-OD1 2.73Å; F508-N531 HydrophobicContact CB-CB 4.29Å; F508-N531 WeakPolarHBondContact CD2-OD1 3.48Å; F508-N531 PolarHBondContact N-OD1 2.88Å; L528-N531 PolarHBondContact O-ND2 3.07Å; L528-N531 VanDerWaalsContact O-ND2 3.12Å; E529-N531 VanDerWaalsContact C-N 3.29Å; E529-N531 PolarHBondContact O-N 3.21Å; E529-N531 PolarHBondContact O-ND2 3.03Å; N531-W533 HydrophobicContact CB-CD2 4.26Å; N531-W533 HydrophobicContact CB-CZ2 3.68Å; N531-W533 PolarHBondContact O-N 2.87Å
532	P	92.3	Very high	87.2	Confident	10 Å²	10	30.9 Å²	30.9	7%	0.065	19%	0.194	C	C	.	.			trans	-80.2	62.5	-174.8	35.6	-39.3	0	0	0	112.4	F508 M509 D534 E561	F508-P532 CarbonylContact O-C 3.07Å; F508-P532 VanDerWaalsContact O-CD 3.28Å; F508-P532 WeakPolarHBondContact O-CD 3.45Å; M509-P532 WeakPolarHBondContact CA-O 3.4Å; M509-P532 HydrophobicContact CG-CG 4.39Å; P532-D534 PolarHBondContact O-N 2.88Å; P532-E561 WeakPolarHBondContact CA-OE2 3.48Å; P532-E561 HydrophobicContact CB-CB 4.27Å; P532-E561 VanDerWaalsContact CB-OE2 3.26Å; P532-E561 WeakPolarHBondContact CB-OE2 3.42Å
533	W	92.4	Very high	87.4	Confident	4 Å²	4	28.2 Å²	28.2	2%	0.015	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	130.6	-171.7	-62.5	106.6	0	0	0	113	F508 M509 L511 L528 N531 L539 L542 L558 E561 T562	F508-W533 HydrophobicContact CB-CH2 3.72Å; F508-W533 HydrophobicContact CB-CZ2 4.29Å; F508-W533 HydrophobicContact CB-CZ3 3.9Å; F508-W533 HydrophobicContact CG-CH2 4.45Å; M509-W533 WeakPolarHBondContact O-CA 3.46Å; L511-W533 HydrophobicContact CB-CH2 3.91Å; L511-W533 HydrophobicContact CB-CZ3 3.8Å; L511-W533 HydrophobicContact CD2-CH2 4.26Å; L528-W533 HydrophobicContact CB-CZ2 4Å; L528-W533 HydrophobicContact CD2-CZ2 4.48Å; L528-W533 PolarHBondContact O-NE1 3.16Å; N531-W533 HydrophobicContact CB-CD2 4.26Å; N531-W533 HydrophobicContact CB-CZ2 3.68Å; N531-W533 PolarHBondContact O-N 2.87Å; W533-L539 HydrophobicContact CB-CD2 4.15Å; W533-L539 HydrophobicContact CE3-CD1 3.68Å; W533-L539 HydrophobicContact CZ3-CD1 4.14Å; W533-L542 HydrophobicContact CE3-CD2 4.25Å; W533-L542 HydrophobicContact CH2-CD2 4.15Å; W533-L542 HydrophobicContact CZ3-CD2 3.84Å; W533-L558 HydrophobicContact CD2-CD2 4.34Å; W533-L558 HydrophobicContact CZ2-CD2 3.93Å; W533-E561 PolarHBondContact O-N 3.11Å; W533-T562 PolarHBondContact O-N 3.1Å
534	D	90.2	Very high	87.4	Confident	41 Å²	41	31.7 Å²	31.7	22%	0.219	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	102.3	171	-176.7	50.5	0	0	0	109.8	M509 P532 T536 L539 T562	M509-D534 HydrophobicContact CB-CB 4.29Å; M509-D534 PolarHBondContact O-N 3.41Å; P532-D534 PolarHBondContact O-N 2.88Å; D534-T536 PolarHBondContact O-N 3.04Å; D534-T536 WeakPolarHBondContact OD1-CG2 3.49Å; D534-T536 WeakPolarHBondContact OD2-CB 3.34Å; D534-T536 WeakPolarHBondContact OD2-CG2 3.38Å; D534-T536 PolarHBondContact OD2-OG1 3.29Å; D534-L539 WeakPolarHBondContact O-CB 3.24Å; D534-T562 CarbonylContact C-O 3.58Å; D534-T562 WeakPolarHBondContact CA-O 3.48Å; D534-T562 WeakPolarHBondContact CA-OG1 3.34Å; D534-T562 WeakPolarHBondContact CB-OG1 3.41Å; D534-T562 WeakPolarHBondContact OD1-CB 3.41Å; D534-T562 PolarHBondContact OD1-OG1 2.81Å; D534-T562 VanDerWaalsContact OD1-OG1 3.12Å
535	C	88.6	Confident	87.7	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.014	18%	0.175	C	C	.	.			trans	-82.1	64.9	-177.9	-70.5	0	0	0	0	111.2	L539 C560 T562 L574 L579	C535-L539 HydrophobicContact CB-CD2 4.36Å; C535-L539 VanDerWaalsContact SG-CD2 3.54Å; C535-C560 HydrophobicContact CB-CB 3.73Å; C535-C560 WeakPolarHBondContact CB-SG 3.35Å; C535-C560 WeakPolarHBondContact SG-CB 3.49Å; C535-C560 CovalentContact SG-SG 2.02Å; C535-C560 PolarHBondContact SG-SG 2.96Å; C535-T562 PolarHBondContact N-O 3.08Å; C535-L574 HydrophobicContact CB-CD1 4.02Å; C535-L579 HydrophobicContact CB-CD2 3.75Å; C535-L579 WeakPolarHBondContact O-CD2 3.28Å
536	T	87.7	Confident	87.8	Confident	44 Å²	44	28.6 Å²	28.6	27%	0.27	17%	0.171	S	C	.	.	S	Bend	trans	-112.2	-165.8	171.4	61.1	0	0	0	0	110.5	D534 D538 L539 L579	D534-T536 PolarHBondContact O-N 3.04Å; D534-T536 WeakPolarHBondContact OD1-CG2 3.49Å; D534-T536 WeakPolarHBondContact OD2-CB 3.34Å; D534-T536 WeakPolarHBondContact OD2-CG2 3.38Å; D534-T536 PolarHBondContact OD2-OG1 3.29Å; T536-D538 VanDerWaalsContact C-N 3.28Å; T536-D538 PolarHBondContact O-N 3.16Å; T536-L539 PolarHBondContact O-N 3.17Å; T536-L579 CarbonylContact C-O 3.12Å; T536-L579 VanDerWaalsContact C-O 3.28Å
537	C	85.7	Confident	87.6	Confident	52 Å²	52	33.2 Å²	33.2	35%	0.351	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-62.6	-33.3	-173.2	-170.3	0	0	0	0	113.1	L539 V540 L579 C580	C537-L539 PolarHBondContact O-N 3.01Å; C537-V540 VanDerWaalsContact O-CB 3.32Å; C537-V540 WeakPolarHBondContact O-CB 3.38Å; C537-V540 WeakPolarHBondContact O-CG2 3.36Å; C537-V540 PolarHBondContact O-N 3.28Å; C537-V540 VanDerWaalsContact O-N 3.15Å; C537-L579 WeakPolarHBondContact CA-O 3.02Å; C537-L579 PolarHBondContact N-O 2.98Å; C537-L579 VanDerWaalsContact N-O 3.08Å; C537-C580 HydrophobicContact CB-CB 3.55Å; C537-C580 WeakPolarHBondContact CB-SG 3.31Å; C537-C580 WeakPolarHBondContact SG-CB 3.45Å; C537-C580 CovalentContact SG-SG 2.04Å; C537-C580 PolarHBondContact SG-SG 2.79Å
538	D	84.3	Confident	87.4	Confident	121 Å²	121	40.7 Å²	40.7	65%	0.647	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-69.2	-24.1	-174.8	-59.3	-48.9	0	0	0	112.4	T536 V540	T536-D538 VanDerWaalsContact C-N 3.28Å; T536-D538 PolarHBondContact O-N 3.16Å; D538-V540 VanDerWaalsContact C-N 3.35Å
539	L	88	Confident	86.7	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-81.1	-11.2	176.6	-154.2	68	0	0	0	113.5	W533 D534 C535 T536 C537 A541 L542 K543 L571	W533-L539 HydrophobicContact CB-CD2 4.15Å; W533-L539 HydrophobicContact CE3-CD1 3.68Å; W533-L539 HydrophobicContact CZ3-CD1 4.14Å; D534-L539 WeakPolarHBondContact O-CB 3.24Å; C535-L539 HydrophobicContact CB-CD2 4.36Å; C535-L539 VanDerWaalsContact SG-CD2 3.54Å; T536-L539 PolarHBondContact O-N 3.17Å; C537-L539 PolarHBondContact O-N 3.01Å; L539-A541 PolarHBondContact O-N 2.96Å; L539-L542 HydrophobicContact CD1-CB 4.12Å; L539-L542 HydrophobicContact CD1-CD2 3.61Å; L539-L542 HydrophobicContact CG-CB 4.46Å; L539-L542 HydrophobicContact CG-CD2 4.38Å; L539-L542 WeakPolarHBondContact O-CB 3.11Å; L539-L542 PolarHBondContact O-N 3.42Å; L539-L542 VanDerWaalsContact O-N 3.14Å; L539-K543 PolarHBondContact O-N 3.3Å; L539-L571 HydrophobicContact CD2-CD1 3.79Å; L539-L571 HydrophobicContact CD2-CD2 3.89Å; L539-L571 HydrophobicContact CD2-CG 4.45Å; L539-L571 HydrophobicContact CG-CD1 4.3Å; L539-L571 HydrophobicContact CG-CD2 4.08Å
540	V	87.5	Confident	85.5	Confident	14 Å²	14	46.4 Å²	46.4	9%	0.085	26%	0.257	C	S	.	.	H	α-helix	trans	-61.7	-33.7	177.9	177.6	0	0	0	0	111.5	C537 D538 K543 L544 N576 L579 C580	C537-V540 VanDerWaalsContact O-CB 3.32Å; C537-V540 WeakPolarHBondContact O-CB 3.38Å; C537-V540 WeakPolarHBondContact O-CG2 3.36Å; C537-V540 PolarHBondContact O-N 3.28Å; C537-V540 VanDerWaalsContact O-N 3.15Å; D538-V540 VanDerWaalsContact C-N 3.35Å; V540-K543 PolarHBondContact O-N 3.45Å; V540-L544 HydrophobicContact CG1-CD1 3.97Å; V540-L544 HydrophobicContact CG1-CG 4.36Å; V540-L544 WeakPolarHBondContact O-CG 3.42Å; V540-L544 PolarHBondContact O-N 3.32Å; V540-N576 HydrophobicContact CG1-CB 4.33Å; V540-L579 HydrophobicContact CG2-CB 3.56Å; V540-L579 HydrophobicContact CG2-CD1 4.11Å; V540-L579 HydrophobicContact CG2-CG 4.46Å; V540-C580 HydrophobicContact CG2-CB 4.16Å
541	A	86.6	Confident	83.9	Confident	51 Å²	51	51.7 Å²	51.7	42%	0.421	28%	0.275	S	S	.	.	H	α-helix	trans	-62.5	-46.7	174.4	0	0	0	0	0	111.6	V513 L539 L544 W545	V513-A541 HydrophobicContact CG2-CB 4.38Å; V513-A541 WeakPolarHBondContact CG2-O 3.45Å; L539-A541 PolarHBondContact O-N 2.96Å; A541-L544 PolarHBondContact O-N 2.91Å; A541-W545 PolarHBondContact O-N 2.87Å
542	L	89	Confident	81.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-45.3	176.5	-175.9	68.2	0	0	0	110.8	L511 V513 L517 W533 L539 L544 W545 L546	L511-L542 HydrophobicContact CB-CD2 4.43Å; V513-L542 HydrophobicContact CG2-CB 4.41Å; V513-L542 HydrophobicContact CG2-CD1 4.33Å; L517-L542 HydrophobicContact CD1-CD1 3.36Å; W533-L542 HydrophobicContact CE3-CD2 4.25Å; W533-L542 HydrophobicContact CH2-CD2 4.15Å; W533-L542 HydrophobicContact CZ3-CD2 3.84Å; L539-L542 HydrophobicContact CD1-CB 4.12Å; L539-L542 HydrophobicContact CD1-CD2 3.61Å; L539-L542 HydrophobicContact CG-CB 4.46Å; L539-L542 HydrophobicContact CG-CD2 4.38Å; L539-L542 WeakPolarHBondContact O-CB 3.11Å; L539-L542 PolarHBondContact O-N 3.42Å; L539-L542 VanDerWaalsContact O-N 3.14Å; L542-L544 PolarHBondContact O-N 3.48Å; L542-W545 HydrophobicContact CD1-CE3 4.03Å; L542-W545 HydrophobicContact CD1-CZ3 4.39Å; L542-W545 PolarHBondContact O-N 3.45Å; L542-L546 HydrophobicContact CD1-CD1 4.43Å; L542-L546 HydrophobicContact CD2-CD1 4.45Å; L542-L546 HydrophobicContact CG-CD1 3.87Å; L542-L546 HydrophobicContact CG-CG 4.4Å; L542-L546 WeakPolarHBondContact O-CD1 3.24Å; L542-L546 WeakPolarHBondContact O-CG 3.47Å; L542-L546 PolarHBondContact O-N 3.46Å
543	K	86.8	Confident	80.1	Confident	11 Å²	11	54.3 Å²	54.3	5%	0.048	30%	0.298	C	S	.	.	H	α-helix	trans	-57	-49.5	176.9	-174.5	170.8	-174.3	-78.4	0	112.6	L539 V540 W545 L546 E547 L571 L574 N576 L579	L539-K543 PolarHBondContact O-N 3.3Å; V540-K543 PolarHBondContact O-N 3.45Å; K543-W545 VanDerWaalsContact C-N 3.29Å; K543-W545 PolarHBondContact O-N 2.93Å; K543-L546 PolarHBondContact O-N 3.44Å; K543-E547 WeakPolarHBondContact CE-OE1 3.3Å; K543-E547 IonicContact NZ-OE1 2.67Å; K543-E547 PolarHBondContact NZ-OE1 3.43Å; K543-E547 WeakPolarHBondContact O-CB 3.3Å; K543-E547 WeakPolarHBondContact O-CG 3.31Å; K543-E547 PolarHBondContact O-N 2.95Å; K543-L571 HydrophobicContact CB-CD1 4.3Å; K543-L571 HydrophobicContact CB-CD2 4.21Å; K543-L571 HydrophobicContact CB-CG 4.17Å; K543-L571 HydrophobicContact CD-CD1 3.98Å; K543-L571 HydrophobicContact CD-CG 4.12Å; K543-L571 WeakPolarHBondContact CD-O 2.99Å; K543-L571 WeakPolarHBondContact CE-O 3.5Å; K543-L571 HydrophobicContact CG-CD1 4.47Å; K543-L571 HydrophobicContact CG-CG 4.21Å; K543-L574 WeakPolarHBondContact CE-O 3.32Å; K543-L574 PolarHBondContact NZ-O 3.33Å; K543-L574 VanDerWaalsContact NZ-O 3.08Å; K543-N576 PolarHBondContact NZ-OD1 3.47Å; K543-L579 HydrophobicContact CD-CD1 3.66Å
544	L	86.2	Confident	78.1	Confident	89 Å²	89	57.4 Å²	57.4	47%	0.466	32%	0.317	S	S	.	.	H	α-helix	trans	-65.9	-28.5	178	-71.7	169.9	0	0	0	113.3	V540 A541 L542 K548	V540-L544 HydrophobicContact CG1-CD1 3.97Å; V540-L544 HydrophobicContact CG1-CG 4.36Å; V540-L544 WeakPolarHBondContact O-CG 3.42Å; V540-L544 PolarHBondContact O-N 3.32Å; A541-L544 PolarHBondContact O-N 2.91Å; L542-L544 PolarHBondContact O-N 3.48Å; L544-K548 WeakPolarHBondContact O-CB 3.31Å; L544-K548 PolarHBondContact O-N 2.91Å
545	W	86.9	Confident	76.7	Confident	30 Å²	30	56.9 Å²	56.9	11%	0.114	32%	0.316	C	S	.	.	H	α-helix	trans	-72.4	-44.3	173	177.4	83.3	0	0	0	111.3	V513 L517 L523 I526 A541 L542 K543 E547 K548 L549	V513-W545 HydrophobicContact CB-CB 4.36Å; V513-W545 HydrophobicContact CG1-CB 3.88Å; V513-W545 HydrophobicContact CG1-CG 3.76Å; V513-W545 HydrophobicContact CG2-CB 3.54Å; V513-W545 HydrophobicContact CG2-CD2 4.43Å; V513-W545 HydrophobicContact CG2-CG 3.9Å; L517-W545 HydrophobicContact CB-CD2 4.15Å; L517-W545 HydrophobicContact CB-CE3 4.48Å; L517-W545 HydrophobicContact CB-CH2 4.07Å; L517-W545 HydrophobicContact CB-CZ2 3.69Å; L517-W545 HydrophobicContact CB-CZ3 4.44Å; L517-W545 HydrophobicContact CD1-CD2 4.32Å; L517-W545 HydrophobicContact CD1-CE3 3.93Å; L517-W545 HydrophobicContact CD1-CH2 4.21Å; L517-W545 HydrophobicContact CD1-CZ3 3.87Å; L517-W545 HydrophobicContact CD2-CH2 4.14Å; L517-W545 HydrophobicContact CG-CH2 4.38Å; L517-W545 HydrophobicContact CG-CZ2 4.48Å; L517-W545 PolarHBondContact O-NE1 3.06Å; L523-W545 HydrophobicContact CD2-CH2 3.81Å; L523-W545 HydrophobicContact CD2-CZ2 3.97Å; I526-W545 HydrophobicContact CD1-CH2 3.95Å; I526-W545 HydrophobicContact CD1-CZ3 4.33Å; I526-W545 HydrophobicContact CG2-CH2 4.24Å; I526-W545 HydrophobicContact CG2-CZ3 4.46Å; A541-W545 PolarHBondContact O-N 2.87Å; L542-W545 HydrophobicContact CD1-CE3 4.03Å; L542-W545 HydrophobicContact CD1-CZ3 4.39Å; L542-W545 PolarHBondContact O-N 3.45Å; K543-W545 VanDerWaalsContact C-N 3.29Å; K543-W545 PolarHBondContact O-N 2.93Å; W545-E547 VanDerWaalsContact C-N 3.32Å; W545-E547 PolarHBondContact O-N 3.15Å; W545-K548 CarbonylContact O-C 3.58Å; W545-K548 WeakPolarHBondContact O-CA 3.4Å; W545-K548 WeakPolarHBondContact O-CB 3.46Å; W545-K548 PolarHBondContact O-N 3.43Å; W545-L549 HydrophobicContact CD2-CD2 4.44Å; W545-L549 HydrophobicContact CD2-CG 4.45Å; W545-L549 HydrophobicContact CE3-CD1 4.13Å; W545-L549 HydrophobicContact CH2-CD1 3.82Å; W545-L549 HydrophobicContact CH2-CD2 4.4Å; W545-L549 HydrophobicContact CZ2-CD1 4.19Å; W545-L549 HydrophobicContact CZ2-CD2 3.93Å; W545-L549 HydrophobicContact CZ2-CG 4.48Å; W545-L549 HydrophobicContact CZ3-CD1 3.78Å; W545-L549 PolarHBondContact O-N 3.13Å
546	L	84.5	Confident	75.4	Confident	17 Å²	17	60.1 Å²	60.1	9%	0.089	33%	0.329	C	S	.	.	H	α-helix	trans	-63.2	-34.8	175.3	-67.3	163	0	0	0	113	L528 L542 K543 K548 L549 V555 L558 L571	L528-L546 HydrophobicContact CD1-CD2 4.43Å; L542-L546 HydrophobicContact CD1-CD1 4.43Å; L542-L546 HydrophobicContact CD2-CD1 4.45Å; L542-L546 HydrophobicContact CG-CD1 3.87Å; L542-L546 HydrophobicContact CG-CG 4.4Å; L542-L546 WeakPolarHBondContact O-CD1 3.24Å; L542-L546 WeakPolarHBondContact O-CG 3.47Å; L542-L546 PolarHBondContact O-N 3.46Å; K543-L546 PolarHBondContact O-N 3.44Å; L546-K548 PolarHBondContact O-N 3.19Å; L546-L549 HydrophobicContact CD2-CD1 4.22Å; L546-V555 HydrophobicContact CD2-CB 4.36Å; L546-V555 HydrophobicContact CD2-CG1 3.97Å; L546-V555 HydrophobicContact CD2-CG2 3.93Å; L546-L558 HydrophobicContact CD1-CD1 3.18Å; L546-L558 HydrophobicContact CD2-CD1 4.26Å; L546-L558 HydrophobicContact CG-CD1 4.34Å; L546-L571 HydrophobicContact CD1-CD2 4.25Å
547	E	81.5	Confident	74.6	Confident	97 Å²	97	62.6 Å²	62.6	45%	0.453	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-12.1	172.1	-72.8	169.4	177.2	0	0	113.4	K543 W545	K543-E547 WeakPolarHBondContact CE-OE1 3.3Å; K543-E547 IonicContact NZ-OE1 2.67Å; K543-E547 PolarHBondContact NZ-OE1 3.43Å; K543-E547 WeakPolarHBondContact O-CB 3.3Å; K543-E547 WeakPolarHBondContact O-CG 3.31Å; K543-E547 PolarHBondContact O-N 2.95Å; W545-E547 VanDerWaalsContact C-N 3.32Å; W545-E547 PolarHBondContact O-N 3.15Å
548	K	80.4	Confident	74.6	Confident	172 Å²	172	60.9 Å²	60.9	75%	0.748	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-16	178	-172.7	-174.5	171.7	-164.7	0	112.8	L544 W545 L546	L544-K548 WeakPolarHBondContact O-CB 3.31Å; L544-K548 PolarHBondContact O-N 2.91Å; W545-K548 CarbonylContact O-C 3.58Å; W545-K548 WeakPolarHBondContact O-CA 3.4Å; W545-K548 WeakPolarHBondContact O-CB 3.46Å; W545-K548 PolarHBondContact O-N 3.43Å; L546-K548 PolarHBondContact O-N 3.19Å
549	L	75.6	Confident	74.7	Confident	34 Å²	34	58.4 Å²	58.4	18%	0.178	31%	0.309	C	S	.	.	S	Bend	trans	-66.7	143.6	169.3	-64.6	-175.2	0	0	0	109.6	I526 W545 L546 I553 V555	I526-L549 HydrophobicContact CG2-CD1 4.45Å; W545-L549 HydrophobicContact CD2-CD2 4.44Å; W545-L549 HydrophobicContact CD2-CG 4.45Å; W545-L549 HydrophobicContact CE3-CD1 4.13Å; W545-L549 HydrophobicContact CH2-CD1 3.82Å; W545-L549 HydrophobicContact CH2-CD2 4.4Å; W545-L549 HydrophobicContact CZ2-CD1 4.19Å; W545-L549 HydrophobicContact CZ2-CD2 3.93Å; W545-L549 HydrophobicContact CZ2-CG 4.48Å; W545-L549 HydrophobicContact CZ3-CD1 3.78Å; W545-L549 PolarHBondContact O-N 3.13Å; L546-L549 HydrophobicContact CD2-CD1 4.22Å; L549-I553 HydrophobicContact CB-CB 4.5Å; L549-I553 HydrophobicContact CB-CD1 4.12Å; L549-I553 HydrophobicContact CD1-CB 4.44Å; L549-I553 HydrophobicContact CD1-CD1 4.43Å; L549-I553 HydrophobicContact CD1-CG2 4.05Å; L549-I553 HydrophobicContact CD2-CD1 3.96Å; L549-I553 HydrophobicContact CG-CD1 4.38Å; L549-V555 HydrophobicContact CD1-CG2 4.39Å
550	N	61.9	Low	74.8	Confident	133 Å²	133	58.5 Å²	58.5	71%	0.711	31%	0.309	S	S	*	.			trans	-63.6	139.7	171.3	-63.9	-12.9	0	0	0	109.3	G552 I553	N550-G552 PolarHBondContact O-N 3.03Å; N550-I553 PolarHBondContact O-N 2.91Å
551	D	53.7	Low	74.9	Confident	156 Å²	156	63.4 Å²	63.4	83%	0.834	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-14	-173.3	-72	-69.2	0	0	0	115.7	I553	D551-I553 VanDerWaalsContact C-N 3.33Å
552	G	46.6	Very low	74.8	Confident	43 Å²	43	63.2 Å²	63.2	44%	0.443	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-11.4	171.7	0	0	0	0	0	115.1	N550 V554	N550-G552 PolarHBondContact O-N 3.03Å; G552-V554 PolarHBondContact O-N 2.96Å; G552-V554 VanDerWaalsContact O-N 3.15Å
553	I	58.6	Low	74.4	Confident	29 Å²	29	65.1 Å²	65.1	15%	0.149	34%	0.337	C	S	.	.	S	Bend	trans	-77.9	102.9	173	-61.9	174.4	0	0	0	107.8	L523 I526 L549 N550 D551 V555	L523-I553 VanDerWaalsContact O-CD1 3.28Å; L523-I553 WeakPolarHBondContact O-CD1 3.39Å; I526-I553 HydrophobicContact CG2-CG2 4.09Å; L549-I553 HydrophobicContact CB-CB 4.5Å; L549-I553 HydrophobicContact CB-CD1 4.12Å; L549-I553 HydrophobicContact CD1-CB 4.44Å; L549-I553 HydrophobicContact CD1-CD1 4.43Å; L549-I553 HydrophobicContact CD1-CG2 4.05Å; L549-I553 HydrophobicContact CD2-CD1 3.96Å; L549-I553 HydrophobicContact CG-CD1 4.38Å; N550-I553 PolarHBondContact O-N 2.91Å; D551-I553 VanDerWaalsContact C-N 3.33Å; I553-V555 HydrophobicContact CG2-CG2 4.33Å; I553-V555 PolarHBondContact O-N 3.48Å
554	V	50.3	Low	74.2	Confident	68 Å²	68	70.7 Å²	70.7	41%	0.412	37%	0.372	S	S	.	.			trans	-68.1	86.2	-169.2	-173.4	0	0	0	0	112.1	Q525 G552	Q525-V554 HydrophobicContact CG-CB 4.41Å; G552-V554 PolarHBondContact O-N 2.96Å; G552-V554 VanDerWaalsContact O-N 3.15Å
555	V	60.1	Low	74	Confident	31 Å²	31	73.8 Å²	73.8	19%	0.188	38%	0.384	C	S	.	.			trans	-101.1	108.3	167.9	-166.7	0	0	0	0	108.9	I526 L528 L546 L549 I553 L558	I526-V555 HydrophobicContact CG2-CG2 3.6Å; L528-V555 HydrophobicContact CD1-CG1 4.41Å; L546-V555 HydrophobicContact CD2-CB 4.36Å; L546-V555 HydrophobicContact CD2-CG1 3.97Å; L546-V555 HydrophobicContact CD2-CG2 3.93Å; L549-V555 HydrophobicContact CD1-CG2 4.39Å; I553-V555 HydrophobicContact CG2-CG2 4.33Å; I553-V555 PolarHBondContact O-N 3.48Å; V555-L558 HydrophobicContact CG1-CD1 3.96Å; V555-L558 HydrophobicContact CG1-CG 4.33Å
556	K	60.7	Low	73.8	Confident	69 Å²	69	74.1 Å²	74.1	30%	0.3	39%	0.386	S	S	.	.			trans	-65	160.2	172.4	-65.2	175.4	-173.3	153.5	0	111.6	D527 E529 L558	D527-K556 IonicContact OD2-NZ 2.7Å; D527-K556 PolarHBondContact OD2-NZ 3.43Å; D527-K556 VanDerWaalsContact OD2-NZ 3.14Å; E529-K556 HydrophobicContact CB-CB 4.48Å; E529-K556 HydrophobicContact CB-CD 4.41Å; E529-K556 HydrophobicContact CG-CB 4.44Å; E529-K556 HydrophobicContact CG-CD 4.3Å; E529-K556 WeakPolarHBondContact OE2-CD 3.1Å; E529-K556 WeakPolarHBondContact OE2-CE 3.48Å; E529-K556 IonicContact OE2-NZ 3.21Å; E529-K556 PolarHBondContact OE2-NZ 3.01Å; K556-L558 PolarHBondContact O-N 3.44Å
557	E	71.4	Confident	73.7	Confident	97 Å²	97	75.1 Å²	75.1	45%	0.453	40%	0.397	S	S	.	.			trans	-48.3	104.4	-176.8	-69.1	157.3	-161.5	0	0	113.9	K559 E570	E557-K559 PolarHBondContact O-N 3.06Å; E557-K559 IonicContact OE2-NZ 3.29Å; E557-K559 PolarHBondContact OE2-NZ 3.11Å; E557-E570 HydrophobicContact CB-CG 4.29Å
558	L	85.1	Confident	73.7	Confident	15 Å²	15	77 Å²	77	8%	0.079	41%	0.41	C	S	.	.			trans	-72	110.1	171.8	-75.6	157.5	0	0	0	109.8	L528 W533 L546 V555 K556 E570 L571	L528-L558 HydrophobicContact CB-CD2 3.58Å; L528-L558 HydrophobicContact CB-CG 4.49Å; L528-L558 HydrophobicContact CD1-CD1 4.35Å; L528-L558 HydrophobicContact CD1-CD2 4.21Å; W533-L558 HydrophobicContact CD2-CD2 4.34Å; W533-L558 HydrophobicContact CZ2-CD2 3.93Å; L546-L558 HydrophobicContact CD1-CD1 3.18Å; L546-L558 HydrophobicContact CD2-CD1 4.26Å; L546-L558 HydrophobicContact CG-CD1 4.34Å; V555-L558 HydrophobicContact CG1-CD1 3.96Å; V555-L558 HydrophobicContact CG1-CG 4.33Å; K556-L558 PolarHBondContact O-N 3.44Å; L558-E570 CarbonylContact O-C 3Å; L558-E570 WeakPolarHBondContact O-CA 3.24Å; L558-L571 HydrophobicContact CB-CB 4.03Å; L558-L571 HydrophobicContact CB-CD2 4.5Å; L558-L571 HydrophobicContact CD1-CD2 4.33Å; L558-L571 PolarHBondContact O-N 2.87Å
559	K	87.6	Confident	73.9	Confident	70 Å²	70	71.9 Å²	71.9	30%	0.304	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-104.7	131.2	179.3	-79.1	152.4	177.4	158.8	0	110.6	E557 I569 E570	E557-K559 PolarHBondContact O-N 3.06Å; E557-K559 IonicContact OE2-NZ 3.29Å; E557-K559 PolarHBondContact OE2-NZ 3.11Å; K559-I569 WeakPolarHBondContact CA-O 3.16Å; K559-E570 HydrophobicContact CG-CG 3.95Å
560	C	88.9	Confident	74.4	Confident	2 Å²	2	73.3 Å²	73.3	1%	0.014	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	140	176.7	-56.9	0	0	0	0	110.4	C535 F566 A567 N568 I569 L574	C535-C560 HydrophobicContact CB-CB 3.73Å; C535-C560 WeakPolarHBondContact CB-SG 3.35Å; C535-C560 WeakPolarHBondContact SG-CB 3.49Å; C535-C560 CovalentContact SG-SG 2.02Å; C535-C560 PolarHBondContact SG-SG 2.96Å; C560-F566 HydrophobicContact CB-CB 4.37Å; C560-F566 VanDerWaalsContact CB-O 3.29Å; C560-F566 WeakPolarHBondContact CB-O 3.37Å; C560-A567 CarbonylContact O-C 3.59Å; C560-A567 WeakPolarHBondContact O-CA 3.39Å; C560-N568 PolarHBondContact O-N 3.01Å; C560-I569 PolarHBondContact N-O 2.87Å; C560-I569 PolarHBondContact SG-O 3.07Å; C560-I569 VanDerWaalsContact SG-O 3.38Å; C560-L574 VanDerWaalsContact SG-CD1 3.52Å
561	E	89.6	Confident	75.5	Confident	117 Å²	117	67.2 Å²	67.2	55%	0.547	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-35.1	169.2	-167.9	174.2	137.7	0	0	111	P532 W533	P532-E561 WeakPolarHBondContact CA-OE2 3.48Å; P532-E561 HydrophobicContact CB-CB 4.27Å; P532-E561 VanDerWaalsContact CB-OE2 3.26Å; P532-E561 WeakPolarHBondContact CB-OE2 3.42Å; W533-E561 PolarHBondContact O-N 3.11Å
562	T	84.5	Confident	76.7	Confident	48 Å²	48	66 Å²	66	29%	0.294	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	157.8	175.3	45.4	0	0	0	0	111.2	W533 D534 C535	W533-T562 PolarHBondContact O-N 3.1Å; D534-T562 CarbonylContact C-O 3.58Å; D534-T562 WeakPolarHBondContact CA-O 3.48Å; D534-T562 WeakPolarHBondContact CA-OG1 3.34Å; D534-T562 WeakPolarHBondContact CB-OG1 3.41Å; D534-T562 WeakPolarHBondContact OD1-CB 3.41Å; D534-T562 PolarHBondContact OD1-OG1 2.81Å; D534-T562 VanDerWaalsContact OD1-OG1 3.12Å; C535-T562 PolarHBondContact N-O 3.08Å
563	P	82.6	Confident	78.3	Confident	39 Å²	39	67.7 Å²	67.7	25%	0.253	36%	0.355	S	S	.	.	S	Bend	cis	-64.5	159.4	-17.6	31.1	-36.7	0	0	0	111.3	Q565 F566 A567	P563-Q565 PolarHBondContact O-N 2.95Å; P563-F566 HydrophobicContact CG-CD2 3.75Å; P563-F566 HydrophobicContact CG-CE2 4.08Å; P563-F566 PolarHBondContact O-N 2.83Å; P563-A567 PolarHBondContact O-N 2.8Å
564	V	82.4	Confident	79.5	Confident	128 Å²	128	67 Å²	67	78%	0.776	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-18.8	-174.7	-64	0	0	0	0	115.3	F566	V564-F566 PolarHBondContact O-N 2.92Å
565	Q	81.1	Confident	80.9	Confident	155 Å²	155	70 Å²	70	72%	0.724	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-24.3	174.5	-63.1	176.6	1.1	0	0	113.1	P563	P563-Q565 PolarHBondContact O-N 2.95Å
566	F	82.8	Confident	81.9	Confident	37 Å²	37	70.7 Å²	70.7	16%	0.162	36%	0.362	C	S	.	.	S	Bend	trans	-117.6	9.1	-180	-49.7	-46.1	0	0	0	112.7	C560 P563 V564 N568 I569 L574 I578	C560-F566 HydrophobicContact CB-CB 4.37Å; C560-F566 VanDerWaalsContact CB-O 3.29Å; C560-F566 WeakPolarHBondContact CB-O 3.37Å; P563-F566 HydrophobicContact CG-CD2 3.75Å; P563-F566 HydrophobicContact CG-CE2 4.08Å; P563-F566 PolarHBondContact O-N 2.83Å; V564-F566 PolarHBondContact O-N 2.92Å; F566-N568 PolarHBondContact O-N 2.88Å; F566-I569 HydrophobicContact CB-CD1 4.39Å; F566-I569 HydrophobicContact CD1-CD1 4.33Å; F566-I569 VanDerWaalsContact O-CB 3.25Å; F566-I569 WeakPolarHBondContact O-CB 3.35Å; F566-I569 WeakPolarHBondContact O-CG1 3.11Å; F566-I569 PolarHBondContact O-N 2.72Å; F566-L574 HydrophobicContact CB-CD1 4.22Å; F566-L574 HydrophobicContact CD1-CD2 4.09Å; F566-L574 HydrophobicContact CG-CD1 4.34Å; F566-L574 HydrophobicContact CG-CD2 4.32Å; F566-I578 HydrophobicContact CE1-CG2 3.83Å; F566-I578 HydrophobicContact CE2-CG2 4.15Å; F566-I578 HydrophobicContact CZ-CG2 3.39Å
567	A	83.3	Confident	82.6	Confident	37 Å²	37	73.2 Å²	73.2	31%	0.306	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	133.2	-178.3	0	0	0	0	0	112.2	C560 P563 I569	C560-A567 CarbonylContact O-C 3.59Å; C560-A567 WeakPolarHBondContact O-CA 3.39Å; P563-A567 PolarHBondContact O-N 2.8Å; A567-I569 PolarHBondContact O-N 3.3Å
568	N	81.5	Confident	82.8	Confident	137 Å²	137	72.7 Å²	72.7	73%	0.733	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	5.3	-171.3	-55.1	-77.5	0	0	0	116.4	C560 F566	C560-N568 PolarHBondContact O-N 3.01Å; F566-N568 PolarHBondContact O-N 2.88Å
569	I	84.3	Confident	82.5	Confident	64 Å²	64	72.3 Å²	72.3	33%	0.328	37%	0.372	S	S	.	.			trans	-80.4	143.3	171.3	-54.9	-174.5	0	0	0	109.7	K559 C560 F566 A567 S573 L574	K559-I569 WeakPolarHBondContact CA-O 3.16Å; C560-I569 PolarHBondContact N-O 2.87Å; C560-I569 PolarHBondContact SG-O 3.07Å; C560-I569 VanDerWaalsContact SG-O 3.38Å; F566-I569 HydrophobicContact CB-CD1 4.39Å; F566-I569 HydrophobicContact CD1-CD1 4.33Å; F566-I569 VanDerWaalsContact O-CB 3.25Å; F566-I569 WeakPolarHBondContact O-CB 3.35Å; F566-I569 WeakPolarHBondContact O-CG1 3.11Å; F566-I569 PolarHBondContact O-N 2.72Å; A567-I569 PolarHBondContact O-N 3.3Å; I569-S573 VanDerWaalsContact CG2-OG 3.27Å; I569-S573 WeakPolarHBondContact CG2-OG 3.4Å; I569-L574 HydrophobicContact CG2-CD2 3.85Å; I569-L574 HydrophobicContact CG2-CG 4.03Å
570	E	85.1	Confident	82	Confident	65 Å²	65	69.3 Å²	69.3	30%	0.304	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-76.4	133.5	177.4	-74.1	166.8	-138.3	0	0	112.6	E557 L558 K559 K572 S573	E557-E570 HydrophobicContact CB-CG 4.29Å; L558-E570 CarbonylContact O-C 3Å; L558-E570 WeakPolarHBondContact O-CA 3.24Å; K559-E570 HydrophobicContact CG-CG 3.95Å; E570-K572 VanDerWaalsContact C-N 3.28Å; E570-K572 PolarHBondContact O-N 2.81Å; E570-S573 WeakPolarHBondContact O-CB 3.19Å; E570-S573 PolarHBondContact O-N 2.87Å; E570-S573 PolarHBondContact O-OG 3.13Å
571	L	84.7	Confident	81	Confident	4 Å²	4	73.4 Å²	73.4	2%	0.021	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-56.6	-39.1	-179.9	-178	59.8	0	0	0	112.5	L539 K543 L546 L558 S573 L574 L579	L539-L571 HydrophobicContact CD2-CD1 3.79Å; L539-L571 HydrophobicContact CD2-CD2 3.89Å; L539-L571 HydrophobicContact CD2-CG 4.45Å; L539-L571 HydrophobicContact CG-CD1 4.3Å; L539-L571 HydrophobicContact CG-CD2 4.08Å; K543-L571 HydrophobicContact CB-CD1 4.3Å; K543-L571 HydrophobicContact CB-CD2 4.21Å; K543-L571 HydrophobicContact CB-CG 4.17Å; K543-L571 HydrophobicContact CD-CD1 3.98Å; K543-L571 HydrophobicContact CD-CG 4.12Å; K543-L571 WeakPolarHBondContact CD-O 2.99Å; K543-L571 WeakPolarHBondContact CE-O 3.5Å; K543-L571 HydrophobicContact CG-CD1 4.47Å; K543-L571 HydrophobicContact CG-CG 4.21Å; L546-L571 HydrophobicContact CD1-CD2 4.25Å; L558-L571 HydrophobicContact CB-CB 4.03Å; L558-L571 HydrophobicContact CB-CD2 4.5Å; L558-L571 HydrophobicContact CD1-CD2 4.33Å; L558-L571 PolarHBondContact O-N 2.87Å; L571-S573 PolarHBondContact O-N 3.05Å; L571-L574 PolarHBondContact O-N 3.03Å; L571-L579 HydrophobicContact CD1-CD1 4.16Å; L571-L579 HydrophobicContact CD1-CD2 4.45Å
572	K	80.1	Confident	79.5	Confident	131 Å²	131	75.9 Å²	75.9	57%	0.57	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-60.1	-31.5	176.9	-73.4	-167.5	175.3	-170.5	0	112.6	E570	E570-K572 VanDerWaalsContact C-N 3.28Å; E570-K572 PolarHBondContact O-N 2.81Å
573	S	80.4	Confident	78.1	Confident	78 Å²	78	79.7 Å²	79.7	55%	0.545	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-79.2	-22	-177.7	75.6	0	0	0	0	114.3	I569 E570 L571	I569-S573 VanDerWaalsContact CG2-OG 3.27Å; I569-S573 WeakPolarHBondContact CG2-OG 3.4Å; E570-S573 WeakPolarHBondContact O-CB 3.19Å; E570-S573 PolarHBondContact O-N 2.87Å; E570-S573 PolarHBondContact O-OG 3.13Å; L571-S573 PolarHBondContact O-N 3.05Å
574	L	82	Confident	76.4	Confident	14 Å²	14	84.1 Å²	84.1	7%	0.073	43%	0.434	C	S	.	.	S	Bend	trans	-77.3	137.9	-177.3	-67.9	174.6	0	0	0	111.5	C535 K543 C560 F566 I569 L571 L579	C535-L574 HydrophobicContact CB-CD1 4.02Å; K543-L574 WeakPolarHBondContact CE-O 3.32Å; K543-L574 PolarHBondContact NZ-O 3.33Å; K543-L574 VanDerWaalsContact NZ-O 3.08Å; C560-L574 VanDerWaalsContact SG-CD1 3.52Å; F566-L574 HydrophobicContact CB-CD1 4.22Å; F566-L574 HydrophobicContact CD1-CD2 4.09Å; F566-L574 HydrophobicContact CG-CD1 4.34Å; F566-L574 HydrophobicContact CG-CD2 4.32Å; I569-L574 HydrophobicContact CG2-CD2 3.85Å; I569-L574 HydrophobicContact CG2-CG 4.03Å; L571-L574 PolarHBondContact O-N 3.03Å; L574-L579 HydrophobicContact CB-CD1 4.12Å; L574-L579 HydrophobicContact CB-CD2 4.27Å; L574-L579 HydrophobicContact CB-CG 4.12Å; L574-L579 HydrophobicContact CD1-CD2 3.81Å
575	K	80.7	Confident	74.5	Confident	133 Å²	133	84.4 Å²	84.4	58%	0.578	43%	0.432	S	S	*	.			trans	-77.2	140.8	172.9	-67.3	-174	175.1	-173	0	110.9	E577 I578 L579	K575-E577 PolarHBondContact O-N 3.27Å; K575-E577 VanDerWaalsContact O-N 3.15Å; K575-I578 HydrophobicContact CB-CD1 3.95Å; K575-I578 HydrophobicContact CB-CG1 4.07Å; K575-I578 HydrophobicContact CG-CD1 4.4Å; K575-I578 WeakPolarHBondContact O-CB 3.23Å; K575-I578 PolarHBondContact O-N 2.79Å; K575-L579 PolarHBondContact O-N 2.89Å; K575-L579 VanDerWaalsContact O-N 3.13Å
576	N	80.6	Confident	72.2	Confident	45 Å²	45	86 Å²	86	24%	0.241	44%	0.436	C	S	.	.	H	α-helix	trans	-59.8	-29.3	179.2	-56.7	-1.4	0	0	0	112	V540 K543 C580	V540-N576 HydrophobicContact CG1-CB 4.33Å; K543-N576 PolarHBondContact NZ-OD1 3.47Å; N576-C580 PolarHBondContact O-N 2.88Å
577	E	75.9	Confident	70.1	Confident	122 Å²	122	89.9 Å²	89.9	57%	0.57	47%	0.465	S	S	*	.	H	α-helix	trans	-63.1	-36	173.1	-60.2	165.3	161.3	0	0	113.2	K575 C580	K575-E577 PolarHBondContact O-N 3.27Å; K575-E577 VanDerWaalsContact O-N 3.15Å; E577-C580 CarbonylContact O-C 3.11Å
578	I	76.3	Confident	67.9	Low	86 Å²	86	94.2 Å²	94.2	44%	0.441	49%	0.493	S	S	.	.	H	α-helix	trans	-79.5	-41.3	-179.5	-60.3	171.9	0	0	0	109.8	F566 K575	F566-I578 HydrophobicContact CE1-CG2 3.83Å; F566-I578 HydrophobicContact CE2-CG2 4.15Å; F566-I578 HydrophobicContact CZ-CG2 3.39Å; K575-I578 HydrophobicContact CB-CD1 3.95Å; K575-I578 HydrophobicContact CB-CG1 4.07Å; K575-I578 HydrophobicContact CG-CD1 4.4Å; K575-I578 WeakPolarHBondContact O-CB 3.23Å; K575-I578 PolarHBondContact O-N 2.79Å
579	L	77.2	Confident	65.6	Low	7 Å²	7	92 Å²	92	4%	0.037	49%	0.493	C	S	.	.	H	α-helix	trans	-63.7	-38	175.2	-68.2	166.4	0	0	0	112.2	C535 T536 C537 V540 K543 L571 L574 K575	C535-L579 HydrophobicContact CB-CD2 3.75Å; C535-L579 WeakPolarHBondContact O-CD2 3.28Å; T536-L579 CarbonylContact C-O 3.12Å; T536-L579 VanDerWaalsContact C-O 3.28Å; C537-L579 WeakPolarHBondContact CA-O 3.02Å; C537-L579 PolarHBondContact N-O 2.98Å; C537-L579 VanDerWaalsContact N-O 3.08Å; V540-L579 HydrophobicContact CG2-CB 3.56Å; V540-L579 HydrophobicContact CG2-CD1 4.11Å; V540-L579 HydrophobicContact CG2-CG 4.46Å; K543-L579 HydrophobicContact CD-CD1 3.66Å; L571-L579 HydrophobicContact CD1-CD1 4.16Å; L571-L579 HydrophobicContact CD1-CD2 4.45Å; L574-L579 HydrophobicContact CB-CD1 4.12Å; L574-L579 HydrophobicContact CB-CD2 4.27Å; L574-L579 HydrophobicContact CB-CG 4.12Å; L574-L579 HydrophobicContact CD1-CD2 3.81Å; K575-L579 PolarHBondContact O-N 2.89Å; K575-L579 VanDerWaalsContact O-N 3.13Å
580	C	79.1	Confident	63.4	Low	7 Å²	7	96.5 Å²	96.5	5%	0.047	52%	0.517	C	S	.	.			trans	-135.5	80.5	-179.3	-162.1	0	0	0	0	114	C537 V540 N576 E577 K582 L583	C537-C580 HydrophobicContact CB-CB 3.55Å; C537-C580 WeakPolarHBondContact CB-SG 3.31Å; C537-C580 WeakPolarHBondContact SG-CB 3.45Å; C537-C580 CovalentContact SG-SG 2.04Å; C537-C580 PolarHBondContact SG-SG 2.79Å; V540-C580 HydrophobicContact CG2-CB 4.16Å; N576-C580 PolarHBondContact O-N 2.88Å; E577-C580 CarbonylContact O-C 3.11Å; C580-K582 PolarHBondContact O-N 3.16Å; C580-L583 HydrophobicContact CB-CD1 4.2Å; C580-L583 PolarHBondContact O-N 2.94Å; C580-L583 VanDerWaalsContact O-N 3.13Å
581	P	66.1	Low	60.9	Low	88 Å²	88	103.5 Å²	103.5	57%	0.571	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-62.4	-14.9	178.2	24.2	-34.7	0	0	0	114.1	L583 L584	P581-L583 PolarHBondContact O-N 3.06Å; P581-L584 PolarHBondContact O-N 3.12Å
582	K	59.4	Low	58.3	Low	168 Å²	168	109.2 Å²	109.2	73%	0.73	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-65.4	-19.2	175	-69.6	180	-179.5	172	0	113.5	C580 L584 N585	C580-K582 PolarHBondContact O-N 3.16Å; K582-L584 PolarHBondContact O-N 2.84Å; K582-N585 PolarHBondContact O-N 2.94Å; K582-N585 VanDerWaalsContact O-N 3.1Å
583	L	54.5	Low	56	Low	129 Å²	129	108.4 Å²	108.4	68%	0.675	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-64.5	-20.8	175.5	-80.4	165	0	0	0	113.7	C580 P581	C580-L583 HydrophobicContact CB-CD1 4.2Å; C580-L583 PolarHBondContact O-N 2.94Å; C580-L583 VanDerWaalsContact O-N 3.13Å; P581-L583 PolarHBondContact O-N 3.06Å
584	L	47.8	Very low	54.1	Low	132 Å²	132	110.4 Å²	110.4	69%	0.691	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-80.9	-17.6	172.7	-85.6	91.7	0	0	0	113.9	P581 K582 K586	P581-L584 PolarHBondContact O-N 3.12Å; K582-L584 PolarHBondContact O-N 2.84Å; L584-K586 VanDerWaalsContact C-N 3.28Å; L584-K586 PolarHBondContact O-N 2.98Å
585	N	42	Very low	51.6	Low	134 Å²	134	114 Å²	114	72%	0.717	64%	0.636	S	S	*	*			trans	-84.9	63.9	-169.7	-80	-5.5	0	0	0	113.4	K582 P587	K582-N585 PolarHBondContact O-N 2.94Å; K582-N585 VanDerWaalsContact O-N 3.1Å; N585-P587 WeakPolarHBondContact O-CD 3.46Å
586	K	32.4	Very low	49.7	Very low	187 Å²	187	114 Å²	114	81%	0.813	65%	0.65	S	S	*	*			trans	-94.1	101.1	154.6	-172.9	179	-177.7	-179	0	108.3	L584 S588	L584-K586 VanDerWaalsContact C-N 3.28Å; L584-K586 PolarHBondContact O-N 2.98Å; K586-S588 PolarHBondContact O-N 3.06Å
587	P	38.8	Very low	47.2	Very low	120 Å²	120	116.2 Å²	116.2	78%	0.779	67%	0.674	S	S	*	*			trans	-70.3	117.1	-173.1	27.1	-34.2	0	0	0	111.8	N585 A589	N585-P587 WeakPolarHBondContact O-CD 3.46Å; P587-A589 PolarHBondContact O-N 3.1Å
588	S	37.2	Very low	45.1	Very low	128 Å²	128	118.4 Å²	118.4	90%	0.895	69%	0.688	S	S	*	*			trans	-86.7	100.7	169.4	-68.3	0	0	0	0	110.3	K586	K586-S588 PolarHBondContact O-N 3.06Å
589	A	33.7	Very low	42.6	Very low	89 Å²	89	119.6 Å²	119.6	74%	0.736	70%	0.7	S	S	*	*			trans	-150.1	120.5	167.3	0	0	0	0	0	111.1	P587	P587-A589 PolarHBondContact O-N 3.1Å
590	L	36.7	Very low	40.3	Very low	159 Å²	159	128.6 Å²	128.6	83%	0.832	74%	0.739	S	S	*	*			trans	-84.4	134.6	154.6	-73.4	80	0	0	0	107.5
591	F	32.5	Very low	37.8	Very low	212 Å²	212	133.6 Å²	133.6	93%	0.93	77%	0.769	S	S	*	*			trans	-155.8	164.2	142.9	-91.9	-61.5	0	0	0	109.3
592	T	31.3	Very low	36.1	Very low	125 Å²	125	135.4 Å²	135.4	77%	0.767	78%	0.779	S	S	*	*			trans	-127.2	147	-153.8	38.6	0	0	0	0	114.5
593	S	31.4	Very low	35.2	Very low	114 Å²	114	132.7 Å²	132.7	80%	0.797	78%	0.778	S	S	*	*			trans	73.6	154.6	154.4	-150	0	0	0	0	118.1
594	P	40.9	Very low	34.1	Very low	119 Å²	119	135.1 Å²	135.1	77%	0.773	79%	0.791	S	S	*	*			cis	-123.7	-176.8	-29.4	24	-2.1	0	0	0	113.1
595	A	30.1	Very low	33.2	Very low	90 Å²	90	131.9 Å²	131.9	74%	0.744	79%	0.789	S	S	*	*			trans	-85.7	177.4	172.4	0	0	0	0	0	112.6
596	P	39.6	Very low	33.1	Very low	133 Å²	133	131.9 Å²	131.9	86%	0.864	80%	0.797	S	S	*	*				-137	-178.1	74.1	36.9	-20.1	0	0	0	114.9
597	A	28.2	Very low	33.2	Very low	91 Å²	91	130.8 Å²	130.8	75%	0.752	80%	0.798	S	S	*	*			trans	-111.1	173.7	-169.2	0	0	0	0	0	114.1
598	I	31.5	Very low	33.1	Very low	169 Å²	169	136.7 Å²	136.7	87%	0.867	81%	0.805	S	S	*	*			trans	-138.1	149	143.5	-95.4	155.6	0	0	0	108.1
599	T	25.3	Very low	33	Very low	110 Å²	110	135.7 Å²	135.7	68%	0.675	80%	0.798	S	S	*	*			trans	-100.3	157.1	-168.7	45.4	0	0	0	0	113.6
600	F	29.1	Very low	33.2	Very low	196 Å²	196	137 Å²	137	86%	0.86	80%	0.799	S	S	*	*			trans	-160.5	101.5	135	-91.8	-60.5	0	0	0	113
601	T	26.4	Very low	33.7	Very low	112 Å²	112	136 Å²	136	69%	0.687	80%	0.802	S	S	*	*			trans	22.6	105.6	146.7	53.7	0	0	0	0	122.3
602	T	29	Very low	34.5	Very low	126 Å²	126	129.9 Å²	129.9	77%	0.773	80%	0.799	S	S	*	*				33.3	154.6	108.9	58.9	0	0	0	0	121.7
603	P	41.4	Very low	35.5	Very low	111 Å²	111	126.8 Å²	126.8	72%	0.721	79%	0.792	S	S	*	*			cis	-143.3	167.6	21.6	31	-6.8	0	0	0	120.3
604	L	30.2	Very low	36.6	Very low	181 Å²	181	127.7 Å²	127.7	95%	0.948	80%	0.795	S	S	*	*			trans	65.7	108.9	150	-97	71.7	0	0	0	122.7
605	G	30.5	Very low	37.6	Very low	63 Å²	63	126.6 Å²	126.6	65%	0.649	79%	0.786	S	S	*	*			trans	-168.4	135	154.1	0	0	0	0	0	108.9
606	P	40	Very low	39.3	Very low	134 Å²	134	125.7 Å²	125.7	87%	0.87	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-80.3	132.9	-161.7	29.5	-35.1	0	0	0	115
607	I	33.3	Very low	40.5	Very low	165 Å²	165	125.6 Å²	125.6	85%	0.846	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-77.6	137.3	173.4	-65.3	170.4	0	0	0	110.2
608	R	36.9	Very low	42.6	Very low	243 Å²	243	125 Å²	125	92%	0.917	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-84.6	136.8	167.2	-76.1	-177.5	172.3	176.1	-2.2	110.7
609	S	34.8	Very low	44.5	Very low	108 Å²	108	121.9 Å²	121.9	76%	0.755	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-86.4	166.4	179.8	47.4	0	0	0	0	113.4
610	P	38.8	Very low	46.6	Very low	117 Å²	117	120.5 Å²	120.5	76%	0.76	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-69.7	161.3	178.4	-18.2	32.9	0	0	0	114	G612	P610-G612 PolarHBondContact O-N 3.14Å
611	P	46	Very low	49.1	Very low	137 Å²	137	116.1 Å²	116.1	89%	0.89	71%	0.711	S	S	*	*	S	Bend	trans	-76.8	122.5	-179.2	31	-33.8	0	0	0	112.2
612	G	49	Very low	51.2	Low	83 Å²	83	116.4 Å²	116.4	86%	0.856	71%	0.708	S	S	*	*			trans	175.6	16.6	177	0	0	0	0	0	115.6	P610	P610-G612 PolarHBondContact O-N 3.14Å
613	G	53.8	Low	53.4	Low	61 Å²	61	113.3 Å²	113.3	63%	0.629	69%	0.691	S	S	*	*	S	Bend	trans	-101.2	158.8	179.3	0	0	0	0	0	112.9
614	P	55	Low	55.3	Low	133 Å²	133	112.7 Å²	112.7	86%	0.864	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-63.4	139.3	177.2	27.3	-34.5	0	0	0	111.5
615	V	61.8	Low	57.9	Low	95 Å²	95	108.7 Å²	108.7	58%	0.576	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-63.3	129.5	-179.2	179.9	0	0	0	0	109.9	L617 I619	V615-L617 PolarHBondContact O-N 2.9Å; V615-I619 HydrophobicContact CG1-CB 4.16Å; V615-I619 HydrophobicContact CG1-CG2 4.31Å
616	P	65.3	Low	60.6	Low	71 Å²	71	109.5 Å²	109.5	46%	0.461	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-65.4	137	179.9	26.4	-34.5	0	0	0	111.3	S618 I619	P616-S618 PolarHBondContact O-N 2.83Å; P616-I619 HydrophobicContact CG-CD1 3.78Å; P616-I619 HydrophobicContact CG-CG1 4.1Å; P616-I619 PolarHBondContact O-N 3.07Å
617	L	63.5	Low	62.8	Low	131 Å²	131	107.4 Å²	107.4	69%	0.686	64%	0.637	S	S	*	*	H	α-helix	trans	-52	-30.4	-175.8	-80.9	159.6	0	0	0	113.9	V615 I619 L620 I621	V615-L617 PolarHBondContact O-N 2.9Å; L617-I619 PolarHBondContact O-N 3.28Å; L617-L620 PolarHBondContact O-N 3.29Å; L617-I621 HydrophobicContact CB-CD1 4.47Å; L617-I621 WeakPolarHBondContact O-CB 3.4Å; L617-I621 WeakPolarHBondContact O-CD1 3.28Å; L617-I621 WeakPolarHBondContact O-CG1 3.34Å; L617-I621 PolarHBondContact O-N 3.23Å
618	S	72.4	Confident	65.3	Low	80 Å²	80	104.4 Å²	104.4	56%	0.559	62%	0.622	S	S	*	*	H	α-helix	trans	-59.7	-40.4	176.8	49.8	0	0	0	0	113.7	P616 L622	P616-S618 PolarHBondContact O-N 2.83Å; S618-L622 PolarHBondContact O-N 2.87Å
619	I	71.8	Confident	67.8	Low	103 Å²	103	96.9 Å²	96.9	53%	0.528	60%	0.599	S	S	.	*	H	α-helix	trans	-71	-40.5	177.4	-61.9	178.1	0	0	0	109.9	V615 P616 L617 L622 S623	V615-I619 HydrophobicContact CG1-CB 4.16Å; V615-I619 HydrophobicContact CG1-CG2 4.31Å; P616-I619 HydrophobicContact CG-CD1 3.78Å; P616-I619 HydrophobicContact CG-CG1 4.1Å; P616-I619 PolarHBondContact O-N 3.07Å; L617-I619 PolarHBondContact O-N 3.28Å; I619-L622 PolarHBondContact O-N 2.91Å; I619-S623 PolarHBondContact O-N 3.49Å
620	L	70.1	Confident	70.3	Confident	80 Å²	80	96.7 Å²	96.7	42%	0.419	59%	0.589	S	S	.	*	H	α-helix	trans	-64.6	-45	179.4	-139.7	166.5	0	0	0	110.7	L617 L622 S623 I624	L617-L620 PolarHBondContact O-N 3.29Å; L620-L622 PolarHBondContact O-N 2.91Å; L620-S623 PolarHBondContact O-N 3.17Å; L620-S623 PolarHBondContact O-OG 3.39Å; L620-I624 HydrophobicContact CD2-CD1 3.56Å; L620-I624 HydrophobicContact CD2-CG1 4.13Å; L620-I624 WeakPolarHBondContact O-CG1 3.03Å; L620-I624 PolarHBondContact O-N 3.07Å
621	I	80.5	Confident	72.6	Confident	105 Å²	105	95 Å²	95	54%	0.538	58%	0.576	S	S	.	*	H	α-helix	trans	-59.7	-44.6	172.9	-69.3	163.1	0	0	0	111.4	L617 S623 I624 L625	L617-I621 HydrophobicContact CB-CD1 4.47Å; L617-I621 WeakPolarHBondContact O-CB 3.4Å; L617-I621 WeakPolarHBondContact O-CD1 3.28Å; L617-I621 WeakPolarHBondContact O-CG1 3.34Å; L617-I621 PolarHBondContact O-N 3.23Å; I621-S623 PolarHBondContact O-N 2.8Å; I621-I624 PolarHBondContact O-N 2.88Å; I621-L625 WeakPolarHBondContact O-CB 3.02Å; I621-L625 PolarHBondContact O-N 3.23Å
622	L	70.8	Confident	74.8	Confident	118 Å²	118	92.6 Å²	92.6	62%	0.618	56%	0.559	S	S	*	*	H	α-helix	trans	-60.7	-43.7	176	-121.8	79.4	0	0	0	112	S618 I619 L620 I624 L625 V626	S618-L622 PolarHBondContact O-N 2.87Å; I619-L622 PolarHBondContact O-N 2.91Å; L620-L622 PolarHBondContact O-N 2.91Å; L622-I624 PolarHBondContact O-N 3.04Å; L622-L625 WeakPolarHBondContact O-CB 3.27Å; L622-L625 PolarHBondContact O-N 3.44Å; L622-V626 WeakPolarHBondContact O-CG2 3.43Å; L622-V626 PolarHBondContact O-N 2.82Å
623	S	74.9	Confident	76.8	Confident	61 Å²	61	95.1 Å²	95.1	43%	0.427	55%	0.546	S	S	.	.	H	α-helix	trans	-63.8	-40.7	179	73.2	0	0	0	0	112.4	I619 L620 I621 V626 V627	I619-S623 PolarHBondContact O-N 3.49Å; L620-S623 PolarHBondContact O-N 3.17Å; L620-S623 PolarHBondContact O-OG 3.39Å; I621-S623 PolarHBondContact O-N 2.8Å; S623-V626 PolarHBondContact O-N 2.95Å; S623-V627 WeakPolarHBondContact O-CG2 3.05Å; S623-V627 PolarHBondContact O-N 2.83Å; S623-V627 VanDerWaalsContact O-N 3.1Å
624	I	82	Confident	78.5	Confident	97 Å²	97	96.4 Å²	96.4	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-64.4	-42.5	174.4	-69.8	168	0	0	0	110.5	L620 I621 L622 V626 V627 L628	L620-I624 HydrophobicContact CD2-CD1 3.56Å; L620-I624 HydrophobicContact CD2-CG1 4.13Å; L620-I624 WeakPolarHBondContact O-CG1 3.03Å; L620-I624 PolarHBondContact O-N 3.07Å; I621-I624 PolarHBondContact O-N 2.88Å; L622-I624 PolarHBondContact O-N 3.04Å; I624-V626 VanDerWaalsContact C-N 3.35Å; I624-V626 PolarHBondContact O-N 3.01Å; I624-V627 PolarHBondContact O-N 3.18Å; I624-L628 WeakPolarHBondContact O-CB 3.32Å; I624-L628 PolarHBondContact O-N 2.03Å
625	L	85.6	Confident	79.9	Confident	98 Å²	98	92.9 Å²	92.9	51%	0.513	52%	0.524	S	S	.	.	H	α-helix	trans	-60.1	-43.9	177.9	-162.6	83.7	0	0	0	111.8	I621 L622 L628 I629	I621-L625 WeakPolarHBondContact O-CB 3.02Å; I621-L625 PolarHBondContact O-N 3.23Å; L622-L625 WeakPolarHBondContact O-CB 3.27Å; L622-L625 PolarHBondContact O-N 3.44Å; L625-L628 PolarHBondContact O-N 3.29Å; L625-I629 HydrophobicContact CD2-CD1 4.34Å; L625-I629 HydrophobicContact CG-CD1 4.15Å; L625-I629 VanDerWaalsContact O-CG1 3.29Å; L625-I629 WeakPolarHBondContact O-CG1 3.28Å; L625-I629 PolarHBondContact O-N 3.17Å
626	V	85.9	Confident	81.3	Confident	80 Å²	80	94.5 Å²	94.5	49%	0.485	52%	0.524	S	S	.	.	H	α-helix	trans	-63.9	-43.2	177.4	171.3	0	0	0	0	111.5	L622 S623 I624 L628 I629 L630	L622-V626 WeakPolarHBondContact O-CG2 3.43Å; L622-V626 PolarHBondContact O-N 2.82Å; S623-V626 PolarHBondContact O-N 2.95Å; I624-V626 VanDerWaalsContact C-N 3.35Å; I624-V626 PolarHBondContact O-N 3.01Å; V626-L628 VanDerWaalsContact C-N 3.34Å; V626-L628 PolarHBondContact O-N 3.39Å; V626-I629 PolarHBondContact O-N 2.88Å; V626-L630 HydrophobicContact CG1-CD1 3.96Å; V626-L630 WeakPolarHBondContact O-CB 3.36Å; V626-L630 WeakPolarHBondContact O-CG 3.35Å; V626-L630 PolarHBondContact O-N 2.8Å
627	V	87.3	Confident	82	Confident	90 Å²	90	94.9 Å²	94.9	55%	0.545	53%	0.527	S	S	.	.	H	α-helix	trans	-64.6	-37.5	175.6	171.8	0	0	0	0	111.9	S623 I624 L630 T631	S623-V627 WeakPolarHBondContact O-CG2 3.05Å; S623-V627 PolarHBondContact O-N 2.83Å; S623-V627 VanDerWaalsContact O-N 3.1Å; I624-V627 PolarHBondContact O-N 3.18Å; V627-L630 PolarHBondContact O-N 2.04Å; V627-T631 WeakPolarHBondContact O-CG2 3.24Å; V627-T631 PolarHBondContact O-N 2.95Å; V627-T631 PolarHBondContact O-OG1 3.33Å
628	L	85.9	Confident	83	Confident	102 Å²	102	93.6 Å²	93.6	53%	0.534	52%	0.521	S	S	.	.	H	α-helix	trans	-69	-40.7	177.6	-153.1	159.7	0	0	0	111.2	I624 L625 V626 T631 V632	I624-L628 WeakPolarHBondContact O-CB 3.32Å; I624-L628 PolarHBondContact O-N 2.03Å; L625-L628 PolarHBondContact O-N 3.29Å; V626-L628 VanDerWaalsContact C-N 3.34Å; V626-L628 PolarHBondContact O-N 3.39Å; L628-T631 WeakPolarHBondContact CA-OG1 3.04Å; L628-T631 PolarHBondContact O-N 2.91Å; L628-T631 PolarHBondContact O-OG1 2.99Å; L628-T631 VanDerWaalsContact O-OG1 3.06Å; L628-V632 HydrophobicContact CD2-CG2 4.15Å; L628-V632 WeakPolarHBondContact O-CG2 3.45Å; L628-V632 PolarHBondContact O-N 3.22Å
629	I	89.4	Confident	83.4	Confident	84 Å²	84	94.5 Å²	94.5	43%	0.431	52%	0.519	S	S	.	.	H	α-helix	trans	-62.3	-48.2	172.9	-69.8	163.7	0	0	0	110.8	L625 V626 T631 V632 F633	L625-I629 HydrophobicContact CD2-CD1 4.34Å; L625-I629 HydrophobicContact CG-CD1 4.15Å; L625-I629 VanDerWaalsContact O-CG1 3.29Å; L625-I629 WeakPolarHBondContact O-CG1 3.28Å; L625-I629 PolarHBondContact O-N 3.17Å; V626-I629 PolarHBondContact O-N 2.88Å; I629-T631 PolarHBondContact O-N 2.97Å; I629-V632 PolarHBondContact O-N 3.17Å; I629-F633 HydrophobicContact CG2-CD2 3.86Å; I629-F633 HydrophobicContact CG2-CE2 3.94Å; I629-F633 WeakPolarHBondContact O-CD2 3.26Å; I629-F633 PolarHBondContact O-N 2.87Å
630	L	85.9	Confident	83.9	Confident	104 Å²	104	92.2 Å²	92.2	55%	0.545	51%	0.509	S	S	.	.	H	α-helix	trans	-60.5	-43	178.9	-76.5	166.7	0	0	0	112.4	V626 V627 F633 V634	V626-L630 HydrophobicContact CG1-CD1 3.96Å; V626-L630 WeakPolarHBondContact O-CB 3.36Å; V626-L630 WeakPolarHBondContact O-CG 3.35Å; V626-L630 PolarHBondContact O-N 2.8Å; V627-L630 PolarHBondContact O-N 2.04Å; L630-F633 PolarHBondContact O-N 3.07Å; L630-V634 WeakPolarHBondContact O-CG2 3.44Å; L630-V634 PolarHBondContact O-N 2.91Å
631	T	88.4	Confident	84.3	Confident	81 Å²	81	94.5 Å²	94.5	50%	0.497	52%	0.516	S	S	.	.	H	α-helix	trans	-68	-35	178.2	46	0	0	0	0	112.7	V627 L628 I629 V634 A635	V627-T631 WeakPolarHBondContact O-CG2 3.24Å; V627-T631 PolarHBondContact O-N 2.95Å; V627-T631 PolarHBondContact O-OG1 3.33Å; L628-T631 WeakPolarHBondContact CA-OG1 3.04Å; L628-T631 PolarHBondContact O-N 2.91Å; L628-T631 PolarHBondContact O-OG1 2.99Å; L628-T631 VanDerWaalsContact O-OG1 3.06Å; I629-T631 PolarHBondContact O-N 2.97Å; T631-V634 PolarHBondContact O-N 2.8Å; T631-A635 WeakPolarHBondContact O-CB 3.44Å; T631-A635 PolarHBondContact O-N 2.85Å
632	V	91.9	Very high	84.1	Confident	87 Å²	87	93 Å²	93	53%	0.527	51%	0.512	S	S	.	.	H	α-helix	trans	-63.9	-42.8	171.1	169	0	0	0	0	111.6	L628 I629 A635 F636	L628-V632 HydrophobicContact CD2-CG2 4.15Å; L628-V632 WeakPolarHBondContact O-CG2 3.45Å; L628-V632 PolarHBondContact O-N 3.22Å; I629-V632 PolarHBondContact O-N 3.17Å; V632-A635 PolarHBondContact O-N 3.4Å; V632-F636 WeakPolarHBondContact O-CB 3.34Å; V632-F636 PolarHBondContact O-N 3.09Å
633	F	89.7	Confident	84	Confident	136 Å²	136	92.5 Å²	92.5	60%	0.596	51%	0.509	S	S	*	.	H	α-helix	trans	-62.6	-45	175.1	-91.6	-76.6	0	0	0	112.4	I629 L630 A635 F636 C637	I629-F633 HydrophobicContact CG2-CD2 3.86Å; I629-F633 HydrophobicContact CG2-CE2 3.94Å; I629-F633 WeakPolarHBondContact O-CD2 3.26Å; I629-F633 PolarHBondContact O-N 2.87Å; L630-F633 PolarHBondContact O-N 3.07Å; F633-A635 PolarHBondContact O-N 3.41Å; F633-F636 PolarHBondContact O-N 2.9Å; F633-C637 PolarHBondContact O-N 3.03Å; F633-C637 PolarHBondContact O-SG 3.03Å; F633-C637 VanDerWaalsContact O-SG 3.35Å
634	V	89.9	Confident	83.4	Confident	89 Å²	89	99 Å²	99	54%	0.539	52%	0.524	S	S	.	.	H	α-helix	trans	-61.4	-43.4	176	171.4	0	0	0	0	111.3	L630 T631 F636 C637 L638	L630-V634 WeakPolarHBondContact O-CG2 3.44Å; L630-V634 PolarHBondContact O-N 2.91Å; T631-V634 PolarHBondContact O-N 2.8Å; V634-F636 VanDerWaalsContact C-N 3.35Å; V634-F636 PolarHBondContact O-N 3.12Å; V634-C637 PolarHBondContact O-N 2.97Å; V634-L638 HydrophobicContact CG1-CD1 4.07Å; V634-L638 WeakPolarHBondContact O-CG 3.3Å; V634-L638 PolarHBondContact O-N 3.41Å
635	A	85.4	Confident	82.3	Confident	59 Å²	59	103.6 Å²	103.6	49%	0.488	54%	0.535	S	S	.	.	H	α-helix	trans	-61.9	-40.5	175.8	0	0	0	0	0	112.3	T631 V632 F633 L638 L639	T631-A635 WeakPolarHBondContact O-CB 3.44Å; T631-A635 PolarHBondContact O-N 2.85Å; V632-A635 PolarHBondContact O-N 3.4Å; F633-A635 PolarHBondContact O-N 3.41Å; A635-L638 PolarHBondContact O-N 3.48Å; A635-L639 WeakPolarHBondContact O-CB 3.21Å; A635-L639 PolarHBondContact O-N 3.27Å
636	F	90.1	Very high	80.7	Confident	128 Å²	128	105 Å²	105	56%	0.561	54%	0.543	S	S	*	.	H	α-helix	trans	-65.8	-43.4	175.7	-174.4	-98.4	0	0	0	112.2	V632 F633 V634 L638 L639 V640	V632-F636 WeakPolarHBondContact O-CB 3.34Å; V632-F636 PolarHBondContact O-N 3.09Å; F633-F636 PolarHBondContact O-N 2.9Å; V634-F636 VanDerWaalsContact C-N 3.35Å; V634-F636 PolarHBondContact O-N 3.12Å; F636-L638 VanDerWaalsContact C-N 3.34Å; F636-L638 PolarHBondContact O-N 2.71Å; F636-L639 WeakPolarHBondContact O-CB 3.39Å; F636-L639 PolarHBondContact O-N 3.07Å; F636-V640 HydrophobicContact CD1-CG2 4.18Å; F636-V640 HydrophobicContact CE1-CG2 3.82Å; F636-V640 HydrophobicContact CZ-CG2 4.03Å; F636-V640 WeakPolarHBondContact O-CG2 3.41Å; F636-V640 PolarHBondContact O-N 3.04Å
637	C	81.1	Confident	79	Confident	80 Å²	80	109.7 Å²	109.7	54%	0.541	56%	0.557	S	S	.	*	H	α-helix	trans	-60.7	-41.6	174.6	-71	0	0	0	0	112.2	F633 V634 V640 F641	F633-C637 PolarHBondContact O-N 3.03Å; F633-C637 PolarHBondContact O-SG 3.03Å; F633-C637 VanDerWaalsContact O-SG 3.35Å; V634-C637 PolarHBondContact O-N 2.97Å; C637-V640 PolarHBondContact O-N 3.01Å; C637-F641 WeakPolarHBondContact O-CB 3.29Å; C637-F641 PolarHBondContact O-N 3.4Å
638	L	83	Confident	77	Confident	104 Å²	104	114.6 Å²	114.6	55%	0.545	57%	0.571	S	S	.	*	H	α-helix	trans	-65.9	-39.8	174.7	-71.3	171.3	0	0	0	112.1	V634 A635 F636 F641 V642	V634-L638 HydrophobicContact CG1-CD1 4.07Å; V634-L638 WeakPolarHBondContact O-CG 3.3Å; V634-L638 PolarHBondContact O-N 3.41Å; A635-L638 PolarHBondContact O-N 3.48Å; F636-L638 VanDerWaalsContact C-N 3.34Å; F636-L638 PolarHBondContact O-N 2.71Å; L638-F641 PolarHBondContact O-N 3.07Å; L638-V642 WeakPolarHBondContact O-CG2 3.4Å; L638-V642 PolarHBondContact O-N 2.62Å
639	L	82.1	Confident	74.8	Confident	99 Å²	99	115.1 Å²	115.1	52%	0.518	58%	0.58	S	S	.	*	H	α-helix	trans	-60.9	-47.2	174.2	-168.8	79.1	0	0	0	111.2	A635 F636 F641 V642 L643	A635-L639 WeakPolarHBondContact O-CB 3.21Å; A635-L639 PolarHBondContact O-N 3.27Å; F636-L639 WeakPolarHBondContact O-CB 3.39Å; F636-L639 PolarHBondContact O-N 3.07Å; L639-F641 VanDerWaalsContact C-N 3.32Å; L639-F641 PolarHBondContact O-N 3.09Å; L639-V642 PolarHBondContact O-N 2.88Å; L639-L643 HydrophobicContact CD2-CD1 4.31Å; L639-L643 HydrophobicContact CG-CD1 4.01Å; L639-L643 WeakPolarHBondContact O-CB 3.31Å; L639-L643 VanDerWaalsContact O-CG 3.26Å; L639-L643 WeakPolarHBondContact O-CG 3.37Å; L639-L643 PolarHBondContact O-N 3.39Å
640	V	82.7	Confident	72.3	Confident	54 Å²	54	117.9 Å²	117.9	33%	0.327	60%	0.601	S	S	.	*	H	α-helix	trans	-63	-37.6	176.7	171.9	0	0	0	0	111.5	F636 C637 L643 R644	F636-V640 HydrophobicContact CD1-CG2 4.18Å; F636-V640 HydrophobicContact CE1-CG2 3.82Å; F636-V640 HydrophobicContact CZ-CG2 4.03Å; F636-V640 WeakPolarHBondContact O-CG2 3.41Å; F636-V640 PolarHBondContact O-N 3.04Å; C637-V640 PolarHBondContact O-N 3.01Å; V640-L643 PolarHBondContact O-N 3.07Å; V640-R644 WeakPolarHBondContact O-CB 3.29Å; V640-R644 WeakPolarHBondContact O-CG 3.39Å; V640-R644 PolarHBondContact O-N 2.68Å
641	F	77.5	Confident	69.8	Low	128 Å²	128	118.9 Å²	118.9	56%	0.561	61%	0.612	S	S	*	*	H	α-helix	trans	-63.8	-45.3	174.8	-178	-101.8	0	0	0	112.1	C637 L638 L639 R644 R645	C637-F641 WeakPolarHBondContact O-CB 3.29Å; C637-F641 PolarHBondContact O-N 3.4Å; L638-F641 PolarHBondContact O-N 3.07Å; L639-F641 VanDerWaalsContact C-N 3.32Å; L639-F641 PolarHBondContact O-N 3.09Å; F641-R644 PolarHBondContact O-N 2.91Å; F641-R645 WeakPolarHBondContact O-CB 3.24Å; F641-R645 PolarHBondContact O-N 3.18Å
642	V	75.9	Confident	67	Low	75 Å²	75	124.7 Å²	124.7	46%	0.455	63%	0.63	S	S	.	*	H	α-helix	trans	-65	-43.1	175.4	172.2	0	0	0	0	111.5	L638 L639 R644 R645 N646	L638-V642 WeakPolarHBondContact O-CG2 3.4Å; L638-V642 PolarHBondContact O-N 2.62Å; L639-V642 PolarHBondContact O-N 2.88Å; V642-R644 VanDerWaalsContact C-N 3.33Å; V642-R644 PolarHBondContact O-N 3.11Å; V642-R645 PolarHBondContact O-N 2.61Å; V642-R645 VanDerWaalsContact O-N 3.17Å; V642-N646 PolarHBondContact O-N 3.24Å
643	L	69	Low	64.1	Low	106 Å²	106	129.4 Å²	129.4	56%	0.555	65%	0.646	S	S	*	*	H	α-helix	trans	-64.3	-35.1	177	-72	169.9	0	0	0	112.6	L639 V640	L639-L643 HydrophobicContact CD2-CD1 4.31Å; L639-L643 HydrophobicContact CG-CD1 4.01Å; L639-L643 WeakPolarHBondContact O-CB 3.31Å; L639-L643 VanDerWaalsContact O-CG 3.26Å; L639-L643 WeakPolarHBondContact O-CG 3.37Å; L639-L643 PolarHBondContact O-N 3.39Å; V640-L643 PolarHBondContact O-N 3.07Å
644	R	62.1	Low	61.2	Low	197 Å²	197	132.4 Å²	132.4	74%	0.743	66%	0.662	S	S	*	*	H	α-helix	trans	-68.2	-43.9	169.7	-79.1	-174.7	171.8	-161.7	-1.9	111.7	V640 F641 V642 N646 K647	V640-R644 WeakPolarHBondContact O-CB 3.29Å; V640-R644 WeakPolarHBondContact O-CG 3.39Å; V640-R644 PolarHBondContact O-N 2.68Å; F641-R644 PolarHBondContact O-N 2.91Å; V642-R644 VanDerWaalsContact C-N 3.33Å; V642-R644 PolarHBondContact O-N 3.11Å; R644-N646 PolarHBondContact O-N 3.06Å; R644-K647 PolarHBondContact O-N 3.42Å; R644-K647 VanDerWaalsContact O-N 3.07Å
645	R	59.3	Low	58.3	Low	195 Å²	195	131.1 Å²	131.1	74%	0.736	67%	0.667	S	S	*	*	H	α-helix	trans	-61.4	-27.8	179.8	-166.2	173.1	-174.7	174.4	2.3	113.2	F641 V642	F641-R645 WeakPolarHBondContact O-CB 3.24Å; F641-R645 PolarHBondContact O-N 3.18Å; V642-R645 PolarHBondContact O-N 2.61Å; V642-R645 VanDerWaalsContact O-N 3.17Å
646	N	51.2	Low	55.6	Low	126 Å²	126	137.2 Å²	137.2	67%	0.674	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-1.8	177.2	-72.5	-4.5	0	0	0	114.7	V642 R644	V642-N646 PolarHBondContact O-N 3.24Å; R644-N646 PolarHBondContact O-N 3.06Å
647	K	51.2	Low	52.6	Low	179 Å²	179	134.1 Å²	134.1	78%	0.778	70%	0.695	S	S	*	*			trans	-105.7	83.5	171.1	-75.2	-167.2	174.5	-174	0	111.7	R644	R644-K647 PolarHBondContact O-N 3.42Å; R644-K647 VanDerWaalsContact O-N 3.07Å
648	K	44.2	Very low	50.2	Low	193 Å²	193	138.6 Å²	138.6	84%	0.839	71%	0.713	S	S	*	*			trans	-69.2	132.6	160.5	-77.3	-171.9	174.4	-174.7	0	109.7
649	P	41.4	Very low	47.8	Very low	113 Å²	113	138.4 Å²	138.4	73%	0.734	73%	0.727	S	S	*	*			trans	-72.1	135.5	165.7	30.3	-32.6	0	0	0	110.1	V651	P649-V651 PolarHBondContact O-N 3.27Å
650	T	35.4	Very low	45.3	Very low	142 Å²	142	142.6 Å²	142.6	87%	0.871	74%	0.744	S	S	*	*			trans	-84.2	102.7	174.1	49	0	0	0	0	110.4
651	V	33.8	Very low	42.6	Very low	125 Å²	125	146.6 Å²	146.6	76%	0.758	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-89.7	132.5	169.6	-178.6	0	0	0	0	108.7	P649	P649-V651 PolarHBondContact O-N 3.27Å
652	K	30.7	Very low	40.2	Very low	204 Å²	204	144.2 Å²	144.2	89%	0.887	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-81.6	143	172.2	-76.2	-173.6	173.4	-174.7	0	110.2
653	H	30.7	Very low	37.8	Very low	186 Å²	186	146.6 Å²	146.6	86%	0.861	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-98.4	125.9	176.6	-92.8	-80.9	0	0	0	112.3
654	E	27.4	Very low	35.7	Very low	198 Å²	198	150.5 Å²	150.5	93%	0.925	82%	0.822	S	S	*	*			trans	-145.3	139.8	145.4	-64	-176.6	162.1	0	0	105.4
655	G	29.5	Very low	34.1	Very low	63 Å²	63	149.8 Å²	149.8	65%	0.649	83%	0.827	S	S	*	*			cis	175.3	121.1	-11.8	0	0	0	0	0	110.4
656	L	29.6	Very low	32.4	Very low	186 Å²	186	147.9 Å²	147.9	97%	0.974	83%	0.83	S	S	*	*			trans	65.9	145.5	-176.3	-67.9	65.2	0	0	0	115.3
657	G	27.8	Very low	31.2	Very low	64 Å²	64	150.8 Å²	150.8	66%	0.66	84%	0.84	S	S	*	*			cis	173.4	140.8	-11.7	0	0	0	0	0	114.1
658	N	30	Very low	30	Very low	173 Å²	173	149.8 Å²	149.8	93%	0.925	84%	0.842	S	S	*	*			trans	66.1	149.3	170.3	-57.1	-9.8	0	0	0	117
659	A	32.3	Very low	29	Very low	101 Å²	101	152.3 Å²	152.3	84%	0.835	85%	0.846	S	S	*	*			cis	-137	163.8	-0.8	0	0	0	0	0	111.8
660	E	28.8	Very low	28.1	Very low	187 Å²	187	154.6 Å²	154.6	87%	0.874	85%	0.845	S	S	*	*			trans	-89.9	149.9	-178.2	-56.7	174.1	117.7	0	0	113.3
661	C	26.7	Very low	27.7	Very low	138 Å²	138	156.8 Å²	156.8	93%	0.932	85%	0.845	S	S	*	*			trans	-157.2	113.2	130.4	-103.5	0	0	0	0	110.2
662	G	26.8	Very low	27.2	Very low	78 Å²	78	155.9 Å²	155.9	80%	0.804	84%	0.836	S	S	*	*			trans	-85.2	150.8	178.1	0	0	0	0	0	113
663	S	26	Very low	26.9	Very low	124 Å²	124	153.7 Å²	153.7	87%	0.867	83%	0.828	S	S	*	*			trans	-62.5	143.2	164.3	57.1	0	0	0	0	111.4
664	M	25.3	Very low	26.7	Very low	188 Å²	188	152.4 Å²	152.4	93%	0.926	82%	0.82	S	S	*	*			trans	-128.5	114.8	161.5	-165.7	166.5	-173.6	0	0	111
665	Q	27.1	Very low	26.6	Very low	183 Å²	183	148.5 Å²	148.5	86%	0.855	81%	0.81	S	S	*	*			trans	-71	146	164	-74.1	-176.5	-27.3	0	0	109.7
666	L	24.9	Very low	26.4	Very low	154 Å²	154	152 Å²	152	81%	0.806	81%	0.814	S	S	*	*			trans	-121.4	107.1	173.4	-161	165.2	0	0	0	108.5	L668	L666-L668 HydrophobicContact CD2-CD1 4.47Å
667	Q	26.3	Very low	26.3	Very low	187 Å²	187	151.9 Å²	151.9	87%	0.874	81%	0.806	S	S	*	*			trans	-123	143.5	162	-81.9	-151.6	-15	0	0	111.2
668	L	25.7	Very low	26.2	Very low	159 Å²	159	156.5 Å²	156.5	83%	0.832	81%	0.807	S	S	*	*			trans	-59.3	135.6	-169.8	-88	53.6	0	0	0	112.9	L666	L666-L668 HydrophobicContact CD2-CD1 4.47Å
669	R	21.9	Very low	26.1	Very low	245 Å²	245	154.6 Å²	154.6	93%	0.925	80%	0.797	S	S	*	*			trans	-105.3	115.6	151.8	-173.1	179.3	-173.6	178.2	2.3	107.9
670	K	23.5	Very low	25.8	Very low	161 Å²	161	153.2 Å²	153.2	70%	0.7	79%	0.793	S	S	*	*			trans	-115.5	117.8	168.7	-172.1	-179.4	-178.8	-177.2	0	110	D672	K670-D672 WeakPolarHBondContact CE-OD2 3.47Å; K670-D672 IonicContact NZ-OD2 3.98Å
671	H	26.6	Very low	25.7	Very low	189 Å²	189	152 Å²	152	88%	0.875	79%	0.792	S	S	*	*			trans	-153.5	133.9	154.7	-115.1	60.7	0	0	0	108.9
672	D	22.9	Very low	25.6	Very low	106 Å²	106	149.9 Å²	149.9	57%	0.567	78%	0.778	S	S	*	*			trans	-101.2	146.1	-172	-74.1	-72.8	0	0	0	111.6	K670	K670-D672 WeakPolarHBondContact CE-OD2 3.47Å; K670-D672 IonicContact NZ-OD2 3.98Å
673	H	25.9	Very low	25.5	Very low	158 Å²	158	151.7 Å²	151.7	73%	0.731	77%	0.774	S	S	*	*			trans	70.1	153.4	143.9	-77.3	15.7	0	0	0	119.5
674	K	25.2	Very low	25.4	Very low	158 Å²	158	154.3 Å²	154.3	69%	0.687	77%	0.773	S	S	*	*			cis	-172.4	173.7	-20.6	-168.8	170.4	-173	171.5	0	109
675	T	26.5	Very low	25.3	Very low	116 Å²	116	149.3 Å²	149.3	71%	0.712	76%	0.761	S	S	*	*			trans	82.3	147.2	162.5	83.4	0	0	0	0	116.2
676	N	25.1	Very low	24.9	Very low	138 Å²	138	149.1 Å²	149.1	74%	0.738	76%	0.758	S	S	*	*			cis	-160.2	166.6	-2	-132.7	-20	0	0	0	114.4
677	K	26.4	Very low	24.9	Very low	182 Å²	182	148.2 Å²	148.2	79%	0.791	75%	0.752	S	S	*	*			trans	64.5	161.2	166	-66.5	177.3	177.6	178.4	0	116.2
678	K	25.7	Very low	25.3	Very low	161 Å²	161	144.1 Å²	144.1	70%	0.7	74%	0.742	S	S	*	*			cis	-170	163.1	-28.9	-105.1	-178.8	154.8	-75.4	0	104.6
679	D	28.3	Very low	25.3	Very low	133 Å²	133	144.5 Å²	144.5	71%	0.711	74%	0.74	S	S	*	*			cis	-156.7	167.9	3.6	-113	-29	0	0	0	108.5
680	G	27.2	Very low	25.5	Very low	72 Å²	72	139 Å²	139	74%	0.742	73%	0.734	S	S	*	*			trans	151.7	98.5	166.5	0	0	0	0	0	117.9
681	L	26.1	Very low	25.8	Very low	163 Å²	163	138 Å²	138	85%	0.853	73%	0.734	S	S	*	*			trans	15	130.6	153.1	-102.5	62.7	0	0	0	122.9
682	S	24.2	Very low	25.9	Very low	93 Å²	93	135 Å²	135	65%	0.65	72%	0.721	S	S	*	*				29.1	142.8	125.1	68.8	0	0	0	0	121.3
683	T	25.6	Very low	26.2	Very low	116 Å²	116	137.1 Å²	137.1	71%	0.712	73%	0.727	S	S	*	*			cis	-162	156.6	15.2	-7.1	0	0	0	0	112.5
684	E	23.3	Very low	26.1	Very low	179 Å²	179	135.8 Å²	135.8	84%	0.836	72%	0.723	S	S	*	*			trans	11.6	139.5	146.5	-66.4	174.9	144.6	0	0	124
685	A	22	Very low	26.2	Very low	83 Å²	83	133.2 Å²	133.2	69%	0.686	73%	0.725	S	S	*	*				90.4	134.5	129.2	0	0	0	0	0	123.7
686	F	19.9	Very low	26.3	Very low	178 Å²	178	136.3 Å²	136.3	78%	0.781	73%	0.728	S	S	*	*			trans	53.7	122.1	136.7	-76.2	-115.8	0	0	0	120.1
687	I	24.5	Very low	26.4	Very low	135 Å²	135	133.6 Å²	133.6	69%	0.692	72%	0.72	S	S	*	*				70.3	130.5	70.8	-71.1	169.2	0	0	0	112.5
688	P	34.9	Very low	26.7	Very low	102 Å²	102	133.9 Å²	133.9	66%	0.662	72%	0.724	S	S	*	*			cis	-144.3	-163.9	-15.9	40.9	-19.6	0	0	0	115.3
689	Q	25	Very low	26.7	Very low	167 Å²	167	131.4 Å²	131.4	78%	0.78	73%	0.727	S	S	*	*			trans	39.2	130.3	147.4	-75.4	-179.4	-8.7	0	0	123.2
690	T	26.3	Very low	26.5	Very low	130 Å²	130	131 Å²	131	80%	0.798	73%	0.733	S	S	*	*				-168.1	135.5	126.6	21.8	0	0	0	0	107.9
691	I	30.5	Very low	26.4	Very low	140 Å²	140	130.5 Å²	130.5	72%	0.718	73%	0.728	S	S	*	*				76.2	124.8	57.7	-75.1	168.5	0	0	0	110.7
692	E	29.4	Very low	26.4	Very low	125 Å²	125	130 Å²	130	58%	0.584	73%	0.726	S	S	*	*			cis	-144.1	-167.8	5	-132.3	-154.5	147.1	0	0	110.1	M694	E692-M694 WeakPolarHBondContact OE1-CE 3.38Å; E692-M694 WeakPolarHBondContact OE1-CG 3.22Å
693	Q	27.3	Very low	26.4	Very low	150 Å²	150	133.1 Å²	133.1	70%	0.701	73%	0.727	S	S	*	*			cis	-136.3	151.4	20	-95	-139.3	-36	0	0	116.2
694	M	25.3	Very low	26.3	Very low	130 Å²	130	133 Å²	133	64%	0.64	72%	0.723	S	S	*	*			trans	14.4	133.8	137.1	-52.7	-166	-171.4	0	0	120	E692	E692-M694 WeakPolarHBondContact OE1-CE 3.38Å; E692-M694 WeakPolarHBondContact OE1-CG 3.22Å
695	S	27.1	Very low	26.4	Very low	105 Å²	105	128.7 Å²	128.7	73%	0.734	71%	0.712	S	S	*	*			cis	-165.8	-168.9	-0.2	54.2	0	0	0	0	109.2
696	K	27.8	Very low	26.4	Very low	180 Å²	180	133.4 Å²	133.4	78%	0.783	72%	0.72	S	S	*	*			cis	-164.5	167.6	16.4	-151.1	168.2	-177.8	174.4	0	111.7
697	S	28.2	Very low	26.6	Very low	82 Å²	82	129 Å²	129	57%	0.573	71%	0.712	S	S	*	*			trans	36.7	103.2	153.7	53.2	0	0	0	0	119.8
698	H	31.6	Very low	26.4	Very low	188 Å²	188	127.8 Å²	127.8	87%	0.87	72%	0.715	S	S	*	*				87.7	144.5	89.8	-73	-57.3	0	0	0	114
699	S	27.1	Very low	25.8	Very low	108 Å²	108	131.3 Å²	131.3	76%	0.755	72%	0.72	S	S	*	*			cis	-170.5	175	-16.2	53.6	0	0	0	0	108
700	C	22.9	Very low	25.6	Very low	124 Å²	124	130.1 Å²	130.1	84%	0.838	72%	0.716	S	S	*	*			cis	-127.7	-128.4	1.2	-154.3	0	0	0	0	110.5
701	G	24.7	Very low	25.4	Very low	63 Å²	63	132.3 Å²	132.3	65%	0.649	72%	0.715	S	S	*	*			cis	106.8	138.3	2.4	0	0	0	0	0	113.9
702	L	26	Very low	25	Very low	152 Å²	152	131.1 Å²	131.1	80%	0.796	72%	0.719	S	S	*	*			cis	-149.8	146	-0.7	-81.8	166.9	0	0	0	108.5
703	K	25.1	Very low	24.7	Very low	158 Å²	158	131.8 Å²	131.8	69%	0.687	73%	0.727	S	S	*	*				59.3	140.2	76.9	-85.3	178.4	132.8	-68.6	0	113.8
704	D	24.4	Very low	25.7	Very low	115 Å²	115	130.3 Å²	130.3	62%	0.615	73%	0.73	S	S	*	*			cis	-148	152.1	13.1	-96.1	-42.7	0	0	0	109.9
705	S	23.9	Very low	26.4	Very low	88 Å²	88	129.9 Å²	129.9	62%	0.615	74%	0.737	S	S	*	*				79.5	137.2	76.9	100.9	0	0	0	0	118
706	E	23.1	Very low	26.4	Very low	181 Å²	181	128.8 Å²	128.8	85%	0.846	74%	0.742	S	S	*	*			trans	65.4	173	166.4	-64.9	-178.8	-165.8	0	0	119
707	S	23.1	Very low	26.3	Very low	87 Å²	87	127.9 Å²	127.9	61%	0.608	74%	0.74	S	S	*	*				-166.1	167.4	-55.4	72.4	0	0	0	0	110.5
708	S	21	Very low	26	Very low	108 Å²	108	132.2 Å²	132.2	76%	0.755	75%	0.749	S	S	*	*			trans	68.6	170	165.2	89.6	0	0	0	0	117
709	F	21.5	Very low	25.6	Very low	177 Å²	177	128.7 Å²	128.7	78%	0.776	74%	0.74	S	S	*	*			cis	-162.4	157.9	-47.9	-121.1	-69.4	0	0	0	110.5
710	M	21.1	Very low	25.3	Very low	141 Å²	141	128.8 Å²	128.8	70%	0.695	74%	0.737	S	S	*	*			trans	70.4	124	157.9	-60.3	-55.3	-176.6	0	0	123.8
711	F	23.2	Very low	25.3	Very low	176 Å²	176	129.4 Å²	129.4	77%	0.772	73%	0.731	S	S	*	*			trans	26.5	137.7	135.3	-71.5	-97.9	0	0	0	121.7
712	S	21.6	Very low	25.1	Very low	115 Å²	115	136.1 Å²	136.1	80%	0.804	74%	0.737	S	S	*	*				-175.8	169.5	74.3	31.6	0	0	0	0	114.5
713	D	22.8	Very low	25	Very low	140 Å²	140	136.1 Å²	136.1	75%	0.749	74%	0.737	S	S	*	*			trans	-86.8	-151.2	-177	-37.1	-97.9	0	0	0	113.7
714	P	47.6	Very low	24.9	Very low	118 Å²	118	132.8 Å²	132.8	77%	0.766	74%	0.739	S	S	*	*				-113.4	-139.8	-53.6	40.1	-25.2	0	0	0	108.5
715	P	40.6	Very low	24.9	Very low	122 Å²	122	131.8 Å²	131.8	79%	0.792	75%	0.747	S	S	*	*			cis	-127.4	-174	-28.2	41.3	-25.6	0	0	0	113.9
716	G	27.3	Very low	25.1	Very low	81 Å²	81	133.3 Å²	133.3	84%	0.835	75%	0.749	S	S	*	*			trans	-176.4	95.5	168.4	0	0	0	0	0	114.9
717	Q	25.3	Very low	25.4	Very low	161 Å²	161	132 Å²	132	75%	0.752	74%	0.74	S	S	*	*			trans	-86.5	140.2	-169.6	-74	-169.7	0.4	0	0	115.9
718	K	22.8	Very low	25.5	Very low	174 Å²	174	133.3 Å²	133.3	76%	0.757	74%	0.74	S	S	*	*				61.4	156.3	125.6	-63.5	-174.8	175.4	178.8	0	119.2
719	V	23.2	Very low	25.8	Very low	113 Å²	113	136 Å²	136	69%	0.685	74%	0.738	S	S	*	*			cis	-164.8	149.6	4	107.1	0	0	0	0	114.4
720	T	21	Very low	26	Very low	111 Å²	111	133.6 Å²	133.6	68%	0.681	73%	0.733	S	S	*	*			trans	65.8	131	150.8	57.2	0	0	0	0	127.5
721	L	22.6	Very low	26.1	Very low	136 Å²	136	133.4 Å²	133.4	71%	0.712	74%	0.735	S	S	*	*				95.6	132	120.8	-80.1	166.4	0	0	0	124.2
722	R	20.9	Very low	26.1	Very low	204 Å²	204	131.3 Å²	131.3	77%	0.77	73%	0.731	S	S	*	*			trans	73	124.3	149.3	-79.3	170.2	177.6	173.4	-1.2	117.4
723	N	22.8	Very low	26.3	Very low	152 Å²	152	134.7 Å²	134.7	81%	0.813	73%	0.734	S	S	*	*				70.5	137.6	71.6	-68.6	28.1	0	0	0	112.6
724	A	24.1	Very low	26.4	Very low	88 Å²	88	131.3 Å²	131.3	73%	0.727	73%	0.731	S	S	*	*			cis	-169.1	-178.1	-9.8	0	0	0	0	0	109.4
725	A	24.7	Very low	25.2	Very low	94 Å²	94	133.1 Å²	133.1	78%	0.777	74%	0.735	S	S	*	*			trans	73.7	159.8	174.9	0	0	0	0	0	114.8
726	D	26.9	Very low	24.6	Very low	121 Å²	121	131.6 Å²	131.6	65%	0.647	72%	0.723	S	S	*	*			cis	-151.5	160.7	12.3	-155.4	3.6	0	0	0	113.8
727	K	29	Very low	24.5	Very low	153 Å²	153	136.5 Å²	136.5	67%	0.665	72%	0.717	S	S	*	*			trans	60.4	115.4	155.5	-84.7	166.7	-170.3	67	0	123.8
728	D	26.3	Very low	24.6	Very low	115 Å²	115	132.7 Å²	132.7	62%	0.615	70%	0.698	S	S	*	*				65.9	122.2	117.4	-79.1	-11.7	0	0	0	122.9
729	K	27.6	Very low	24.7	Very low	163 Å²	163	132.3 Å²	132.3	71%	0.709	69%	0.691	S	S	*	*				64.3	156.8	126	-59.9	179.5	-175.1	160.6	0	120.1
730	D	24.2	Very low	24.7	Very low	127 Å²	127	131.6 Å²	131.6	68%	0.679	68%	0.683	S	S	*	*			cis	-164.1	147.5	-28.1	-107.2	-32.9	0	0	0	106.9
731	L	23.4	Very low	24.9	Very low	138 Å²	138	130.7 Å²	130.7	72%	0.723	68%	0.681	S	S	*	*			trans	53.3	118.2	146.2	-59.7	172.1	0	0	0	122.4
732	L	24.4	Very low	25.1	Very low	132 Å²	132	127.8 Å²	127.8	69%	0.691	67%	0.669	S	S	*	*				72.5	121.6	128.1	-64.7	169.9	0	0	0	122.3
733	H	25.6	Very low	25.5	Very low	186 Å²	186	124.1 Å²	124.1	86%	0.861	66%	0.663	S	S	*	*			trans	67.4	151.2	149.1	-65.5	12.1	0	0	0	116.7
734	G	24.1	Very low	25.6	Very low	68 Å²	68	121.3 Å²	121.3	70%	0.701	65%	0.649	S	S	*	*			cis	168.7	-170	-6	0	0	0	0	0	113.2
735	D	22.7	Very low	25.8	Very low	156 Å²	156	126.2 Å²	126.2	83%	0.834	66%	0.656	S	S	*	*			trans	69.2	145.9	175.6	-138	-21.5	0	0	0	118.9
736	T	27.3	Very low	25.9	Very low	90 Å²	90	128.1 Å²	128.1	55%	0.552	65%	0.653	S	S	*	*			trans	-63.8	160.4	177.2	66.9	0	0	0	0	110.9
737	R	26.6	Very low	25.9	Very low	185 Å²	185	129.3 Å²	129.3	70%	0.698	66%	0.659	S	S	*	*				178.5	-175	51	-141.7	166.8	-132	-161.8	-1.7	107.3
738	K	26.3	Very low	25.8	Very low	81 Å²	81	128.5 Å²	128.5	35%	0.352	66%	0.658	S	S	.	*			trans	92	74.8	133.2	-82.7	159.8	135.7	-87.8	0	124.1	N288 G289 H290	N288-K738 VanDerWaalsContact CB-CA 3.45Å; N288-K738 HydrophobicContact CB-CB 4.46Å; N288-K738 VanDerWaalsContact CG-N 3.35Å; N288-K738 WeakPolarHBondContact OD1-CA 3.43Å; N288-K738 PolarHBondContact OD1-N 3.17Å; G289-K738 VanDerWaalsContact C-CG 3.44Å; G289-K738 VanDerWaalsContact C-NZ 3.31Å; G289-K738 VanDerWaalsContact CA-C 3.47Å; G289-K738 VanDerWaalsContact CA-CG 3.46Å; G289-K738 PolarHBondContact O-NZ 3.3Å; H290-K738 WeakPolarHBondContact CA-O 3.24Å; H290-K738 PolarHBondContact ND1-O 3.07Å; H290-K738 VanDerWaalsContact ND1-O 3.07Å; H290-K738 WeakPolarHBondContact O-CD 3.25Å; H290-K738 PolarHBondContact O-NZ 3.46Å
739	R	24.8	Very low	25.6	Very low	166 Å²	166	130.3 Å²	130.3	63%	0.626	67%	0.666	S	S	*	*				-155.7	153	121.5	-166.9	148.4	-175.7	157	4.4	117.6	P287 N288 H290	P287-R739 WeakPolarHBondContact CB-O 3.26Å; N288-R739 VanDerWaalsContact CB-O 3.31Å; N288-R739 WeakPolarHBondContact CB-O 3.38Å; N288-R739 PolarHBondContact ND2-N 3.03Å; N288-R739 PolarHBondContact ND2-O 2.02Å; H290-R739 PolarHBondContact CD2-NH1 2.98Å; H290-R739 WeakPolarHBondContact CE1-CD 3.45Å; H290-R739 WeakPolarHBondContact NE2-CD 3.33Å; H290-R739 PolarHBondContact NE2-NH1 3.16Å
740	L	24	Very low	25.5	Very low	98 Å²	98	131 Å²	131	51%	0.513	67%	0.67	S	S	.	*			trans	-62	171.2	-176.8	-92.1	80.9	0	0	0	116.9	P287 N288	P287-L740 WeakPolarHBondContact O-CA 3.39Å; P287-L740 WeakPolarHBondContact O-CD1 3.4Å; P287-L740 WeakPolarHBondContact O-CG 3.48Å; N288-L740 VanDerWaalsContact C-CD1 3.43Å; N288-L740 VanDerWaalsContact O-CD1 3.3Å; N288-L740 WeakPolarHBondContact O-CD1 3.37Å
741	S	25.3	Very low	25.6	Very low	91 Å²	91	130.9 Å²	130.9	64%	0.636	68%	0.676	S	S	*	*			cis	-151.4	143.1	15.7	18.5	0	0	0	0	110.3
742	T	25.1	Very low	25.6	Very low	75 Å²	75	129.7 Å²	129.7	46%	0.46	68%	0.679	S	S	.	*				68.3	135.6	60.6	68.8	0	0	0	0	114.4
743	I	29.3	Very low	25.6	Very low	127 Å²	127	135.2 Å²	135.2	65%	0.651	69%	0.691	S	S	*	*			cis	-162.5	160.7	7.8	-127	171.8	0	0	0	114.3
744	D	26	Very low	25.5	Very low	94 Å²	94	133.1 Å²	133.1	50%	0.503	69%	0.686	S	S	.	*			trans	33	142.1	155.4	-44.8	-30	0	0	0	126.6
745	E	28.3	Very low	25.4	Very low	190 Å²	190	135.4 Å²	135.4	89%	0.888	69%	0.691	S	S	*	*			trans	-144.5	96.1	134	-106.1	-173	161.4	0	0	111.6
746	L	27.7	Very low	25.5	Very low	135 Å²	135	136 Å²	136	71%	0.707	69%	0.694	S	S	*	*			trans	38	162.4	132.1	-73.7	86.9	0	0	0	123.9
747	D	25.9	Very low	25.4	Very low	145 Å²	145	137.6 Å²	137.6	78%	0.775	70%	0.704	S	S	*	*			cis	177.4	158.5	-30.2	-95.8	-6.2	0	0	0	108.2
748	E	27.2	Very low	25.3	Very low	137 Å²	137	138 Å²	138	64%	0.64	71%	0.711	S	S	*	*			cis	-124.1	-95.6	-20.7	-177.2	-144.2	117.4	0	0	109.2	F750	E748-F750 PolarHBondContact OE1-N 3.33Å
749	L	22.6	Very low	25.4	Very low	152 Å²	152	141.5 Å²	141.5	80%	0.796	73%	0.733	S	S	*	*			cis	-147.4	126.6	-8	-102.3	178.6	0	0	0	110.3
750	F	24.6	Very low	25.3	Very low	178 Å²	178	140.4 Å²	140.4	78%	0.781	74%	0.735	S	S	*	*			trans	-98	159.4	171.5	-75.6	-85.5	0	0	0	113.1	E748	E748-F750 PolarHBondContact OE1-N 3.33Å
751	P	26.8	Very low	25.3	Very low	125 Å²	125	141.7 Å²	141.7	81%	0.812	74%	0.742	S	S	*	*				-147.3	164.2	96.5	38.6	-22.2	0	0	0	116.2
752	S	23.5	Very low	25.3	Very low	112 Å²	112	146.9 Å²	146.9	78%	0.783	75%	0.754	S	S	*	*			trans	-80	151.6	178.6	55.1	0	0	0	0	115.3
753	R	24.6	Very low	25.3	Very low	248 Å²	248	151 Å²	151	94%	0.936	77%	0.772	S	S	*	*			trans	-164.1	148.2	138.8	-120.9	172.7	-178.7	164.7	1.6	115.2
754	D	21.9	Very low	25	Very low	143 Å²	143	153.5 Å²	153.5	77%	0.765	78%	0.781	S	S	*	*			trans	-77.7	156	177	-39.1	-103.7	0	0	0	113
755	S	22.5	Very low	25	Very low	116 Å²	116	154.9 Å²	154.9	81%	0.811	80%	0.798	S	S	*	*				168.9	138.9	111.8	-75.4	0	0	0	0	113.6
756	N	24.8	Very low	24.9	Very low	167 Å²	167	155 Å²	155	89%	0.893	80%	0.796	S	S	*	*			trans	-76.8	113.7	159.3	-70	-73.6	0	0	0	110.3
757	V	26.5	Very low	24.8	Very low	125 Å²	125	157.5 Å²	157.5	76%	0.758	80%	0.801	S	S	*	*			trans	-153.4	99.3	143.7	-173.5	0	0	0	0	110.4
758	F	24.6	Very low	24.7	Very low	192 Å²	192	158.6 Å²	158.6	84%	0.842	80%	0.801	S	S	*	*				-166.3	87.6	123.3	-132.1	-90.7	0	0	0	111.6
759	L	27	Very low	24.6	Very low	156 Å²	156	162.6 Å²	162.6	82%	0.817	81%	0.812	S	S	*	*			trans	-77.2	127.5	150.9	-136.4	88.9	0	0	0	106.3
760	Q	23.7	Very low	24.6	Very low	143 Å²	143	162.1 Å²	162.1	67%	0.668	81%	0.81	S	S	*	*				169.7	164.7	106.3	-131.1	174.2	-90.6	0	0	112.6
761	N	22.6	Very low	24.7	Very low	125 Å²	125	158.5 Å²	158.5	67%	0.668	81%	0.807	S	S	*	*			trans	68.9	117.6	167.9	-44.6	-30.4	0	0	0	114.1
762	F	25.2	Very low	24.6	Very low	200 Å²	200	160.8 Å²	160.8	88%	0.877	81%	0.81	S	S	*	*			cis	-129.8	132.9	29.7	-99.8	-102	0	0	0	114.3
763	L	26.3	Very low	24.6	Very low	160 Å²	160	159 Å²	159	84%	0.838	81%	0.809	S	S	*	*			trans	-83.9	158.3	143.9	-86	164.4	0	0	0	108.8
764	E	23.7	Very low	24.5	Very low	181 Å²	181	153.6 Å²	153.6	85%	0.846	80%	0.804	S	S	*	*			trans	116.7	82.3	160.6	-62.9	-160.3	137.3	0	0	117.9
765	S	25.5	Very low	24.6	Very low	122 Å²	122	151.8 Å²	151.8	85%	0.853	80%	0.803	S	S	*	*			trans	179.5	136.2	135.7	-86.7	0	0	0	0	109.7
766	K	26.2	Very low	24.6	Very low	194 Å²	194	149.5 Å²	149.5	84%	0.843	80%	0.797	S	S	*	*			cis	-153	150.3	-6.5	-156.9	174.4	-178.5	178	0	109.3
767	K	25.1	Very low	24.6	Very low	187 Å²	187	151.5 Å²	151.5	81%	0.813	80%	0.798	S	S	*	*			trans	-99.3	-178.3	171.7	-105.4	-177.9	177.5	179.3	0	110.8
768	E	24.8	Very low	24.3	Very low	167 Å²	167	152.7 Å²	152.7	78%	0.78	80%	0.795	S	S	*	*			trans	77.9	141.6	178.2	-50.4	178.8	156.2	0	0	112.9
769	Y	23.7	Very low	24.3	Very low	222 Å²	222	151.5 Å²	151.5	87%	0.871	80%	0.796	S	S	*	*			cis	-110.8	173.5	23.1	-105	-112.7	0	0	0	116.4
770	N	24	Very low	23.9	Very low	142 Å²	142	152.3 Å²	152.3	76%	0.759	79%	0.788	S	S	*	*			trans	-123.4	153.3	-174.1	-127.4	-3.6	0	0	0	111.9
771	S	24.8	Very low	23.8	Very low	101 Å²	101	155 Å²	155	71%	0.706	79%	0.794	S	S	*	*			trans	45.9	123.5	151.2	63.2	0	0	0	0	121.9
772	I	26.1	Very low	24	Very low	173 Å²	173	154.6 Å²	154.6	89%	0.887	80%	0.798	S	S	*	*				-144	145.8	127.3	-94.7	154.1	0	0	0	106.6
773	G	22.6	Very low	23.8	Very low	74 Å²	74	153.3 Å²	153.3	76%	0.763	80%	0.795	S	S	*	*			trans	-141.1	146.2	172.7	0	0	0	0	0	111
774	V	24	Very low	23.7	Very low	135 Å²	135	155.9 Å²	155.9	82%	0.818	80%	0.799	S	S	*	*			trans	-139.5	149.7	178.6	-179.2	0	0	0	0	109.5
775	S	22.9	Very low	23.7	Very low	106 Å²	106	154.7 Å²	154.7	74%	0.741	79%	0.793	S	S	*	*			trans	-67.2	150.8	-177	50.1	0	0	0	0	114.5
776	G	22.7	Very low	23.7	Very low	67 Å²	67	156.3 Å²	156.3	69%	0.691	79%	0.788	S	S	*	*			trans	-82.3	-162.8	175.4	0	0	0	0	0	114.7
777	F	24.4	Very low	23.7	Very low	210 Å²	210	152.4 Å²	152.4	92%	0.921	78%	0.776	S	S	*	*			trans	-137.2	144.6	173.8	-93.9	-85.4	0	0	0	111.2
778	E	20.9	Very low	23.8	Very low	150 Å²	150	152 Å²	152	70%	0.701	77%	0.774	S	S	*	*			trans	-100.3	134.8	173.3	-178.5	-177.3	-175.5	0	0	109.4	R780	E778-R780 IonicContact OE1-NE 3.55Å
779	I	23.4	Very low	23.9	Very low	167 Å²	167	152 Å²	152	86%	0.856	77%	0.772	S	S	*	*			trans	-133.3	138.4	168.3	-58.7	-178.3	0	0	0	107.9
780	R	19.5	Very low	24	Very low	172 Å²	172	147 Å²	147	65%	0.649	76%	0.759	S	S	*	*			trans	-139.4	171.5	-166.3	-136	-178.9	-158.5	-114.1	0.9	110.7	E778	E778-R780 IonicContact OE1-NE 3.55Å
781	Y	22.5	Very low	24.1	Very low	201 Å²	201	147.8 Å²	147.8	79%	0.788	76%	0.756	S	S	*	*			trans	79.4	151.9	172.4	-55	-73.3	0	0	0	117.4
782	P	25.8	Very low	24.2	Very low	115 Å²	115	152 Å²	152	75%	0.747	76%	0.762	S	S	*	*			cis	-129.2	159.9	-23.3	32.5	-15.5	0	0	0	114.3
783	E	21.8	Very low	24.2	Very low	174 Å²	174	148.1 Å²	148.1	81%	0.813	75%	0.75	S	S	*	*			trans	-69	155.1	167	-60.6	169.8	104.7	0	0	112.2
784	K	24	Very low	24.3	Very low	213 Å²	213	151.3 Å²	151.3	93%	0.926	75%	0.749	S	S	*	*			trans	-136.4	141	147.8	-95	-171.2	175.7	179.4	0	110.2
785	Q	22.2	Very low	24.4	Very low	156 Å²	156	152.4 Å²	152.4	73%	0.729	75%	0.748	S	S	*	*			trans	-99.7	156.2	-170.8	-56.8	174.4	-60.9	0	0	112.4
786	Q	26.9	Very low	24.5	Very low	157 Å²	157	150.9 Å²	150.9	73%	0.734	75%	0.75	S	S	*	*			trans	72.3	158.3	147.7	-77.1	165.7	-91.1	0	0	117.7
787	D	25.7	Very low	24.6	Very low	111 Å²	111	151.5 Å²	151.5	59%	0.594	76%	0.756	S	S	*	*			cis	-136.7	162.1	20.8	-159.5	22	0	0	0	116.3	K789	D787-K789 IonicContact OD2-NZ 3.25Å; D787-K789 PolarHBondContact OD2-NZ 3.13Å
788	K	26.8	Very low	24.7	Very low	179 Å²	179	148.1 Å²	148.1	78%	0.778	75%	0.748	S	S	*	*			trans	-93.9	134.8	177.5	-71.7	174.1	175.1	171.7	0	112.2
789	K	27.1	Very low	24.9	Very low	168 Å²	168	149 Å²	149	73%	0.73	75%	0.751	S	S	*	*			trans	-155	123.9	139.4	-94.2	118.9	-158.6	157.4	0	108.9	D787	D787-K789 IonicContact OD2-NZ 3.25Å; D787-K789 PolarHBondContact OD2-NZ 3.13Å
790	N	25.7	Very low	25	Very low	115 Å²	115	146.3 Å²	146.3	62%	0.615	75%	0.747	S	S	*	*				66.2	133.9	74.4	-72	-43.3	0	0	0	112
791	K	25.6	Very low	25.1	Very low	160 Å²	160	147.9 Å²	147.9	70%	0.696	76%	0.759	S	S	*	*			cis	-175.2	157	-6	-125.8	169.5	-170.8	154.7	0	108.7
792	K	27.6	Very low	25.2	Very low	189 Å²	189	145.4 Å²	145.4	82%	0.822	76%	0.758	S	S	*	*			trans	64.8	165.2	152.2	-71.6	-179.4	174.3	-169.6	0	116
793	S	26.2	Very low	25.1	Very low	91 Å²	91	145.9 Å²	145.9	64%	0.636	76%	0.758	S	S	*	*			cis	-179.2	153	-29	178.9	0	0	0	0	107.1
794	L	25.7	Very low	25.2	Very low	142 Å²	142	143.7 Å²	143.7	74%	0.743	76%	0.756	S	S	*	*				155.9	142	120.2	-79.5	167.9	0	0	0	111.1
795	I	26.1	Very low	25.3	Very low	157 Å²	157	141.4 Å²	141.4	81%	0.805	75%	0.749	S	S	*	*			trans	28	126.4	138.1	-49.8	172.7	0	0	0	117.1
796	G	23.5	Very low	25.6	Very low	75 Å²	75	142.3 Å²	142.3	77%	0.773	75%	0.753	S	S	*	*			cis	126.8	135.2	10.5	0	0	0	0	0	111.1
797	G	26.3	Very low	25.7	Very low	80 Å²	80	142.6 Å²	142.6	83%	0.825	75%	0.748	S	S	*	*			trans	-168.7	95.3	-173.1	0	0	0	0	0	115.2
798	N	25.5	Very low	26	Very low	138 Å²	138	146.2 Å²	146.2	74%	0.738	76%	0.758	S	S	*	*			trans	-69.6	162.8	160.1	-78.8	-13.6	0	0	0	110.1
799	H	25.4	Very low	26.1	Very low	169 Å²	169	141.3 Å²	141.3	78%	0.782	75%	0.746	S	S	*	*			cis	-167.2	147	-8.2	-107.1	-24.6	0	0	0	106.7
800	S	24.3	Very low	26.3	Very low	110 Å²	110	137.3 Å²	137.3	77%	0.769	73%	0.73	S	S	*	*			trans	-157.3	113.9	151.6	57.7	0	0	0	0	111.2
801	K	23.1	Very low	26.6	Very low	206 Å²	206	139 Å²	139	90%	0.896	73%	0.729	S	S	*	*			trans	-75.3	130.3	168.8	-68.9	-179.1	178.2	-179.2	0	109.1
802	I	23.3	Very low	27	Very low	148 Å²	148	136.9 Å²	136.9	76%	0.759	72%	0.72	S	S	*	*			trans	-118.4	123.7	155.6	-59.9	180	0	0	0	105.9	V804	I802-V804 HydrophobicContact CG2-CG2 4.14Å
803	V	24.2	Very low	27	Very low	126 Å²	126	133.8 Å²	133.8	76%	0.764	71%	0.708	S	S	*	*			trans	-88.7	121.7	173.4	176.9	0	0	0	0	107.4
804	V	24.3	Very low	27.2	Very low	127 Å²	127	134.5 Å²	134.5	77%	0.77	71%	0.705	S	S	*	*			trans	-125.6	126.6	163.3	-177	0	0	0	0	106.7	I802	I802-V804 HydrophobicContact CG2-CG2 4.14Å
805	E	25.8	Very low	27.4	Very low	166 Å²	166	130.3 Å²	130.3	78%	0.776	68%	0.68	S	S	*	*			trans	-112.3	158.1	178.6	-171.7	171.6	-173.7	0	0	108.9
806	Q	28.1	Very low	27.6	Very low	174 Å²	174	123.9 Å²	123.9	81%	0.813	65%	0.651	S	S	*	*			trans	75.8	147.1	-170.6	-45.2	174.7	6.5	0	0	113.1
807	R	28.9	Very low	27.8	Very low	164 Å²	164	125.2 Å²	125.2	62%	0.619	64%	0.635	S	S	*	*			cis	-127	139.5	16	-62.6	165.9	179.5	-179.6	2.1	112.3	E810	R807-E810 VanDerWaalsContact CD-CD 3.5Å; R807-E810 WeakPolarHBondContact CD-OE1 3.46Å; R807-E810 IonicContact CZ-OE1 2.75Å; R807-E810 IonicContact NE-OE1 2.55Å; R807-E810 IonicContact NH1-OE1 2.65Å; R807-E810 PolarHBondContact NH1-OE1 3.42Å
808	K	32.8	Very low	27.9	Very low	187 Å²	187	124.6 Å²	124.6	81%	0.813	61%	0.613	S	S	*	*	S	Bend	trans	-85.8	-9.6	171.7	-85.5	-170.5	172.8	-174.3	0	114.4	F812	K808-F812 WeakPolarHBondContact O-CD2 3.31Å
809	S	29.2	Very low	28.3	Very low	75 Å²	75	119.6 Å²	119.6	52%	0.524	59%	0.585	S	S	.	*	H	α-helix	trans	-75.8	-48	-175.6	47.4	0	0	0	0	113.3	Y811 F812 E813	S809-Y811 PolarHBondContact O-N 3.11Å; S809-F812 PolarHBondContact O-N 2.97Å; S809-E813 PolarHBondContact O-N 3.12Å
810	E	29.9	Very low	28.8	Very low	85 Å²	85	114.6 Å²	114.6	40%	0.397	57%	0.569	S	S	.	*	H	α-helix	trans	-64.8	-27.6	-172.1	-71.3	157.4	-175.9	0	0	112.7	R807 F812 E813 L814	R807-E810 VanDerWaalsContact CD-CD 3.5Å; R807-E810 WeakPolarHBondContact CD-OE1 3.46Å; R807-E810 IonicContact CZ-OE1 2.75Å; R807-E810 IonicContact NE-OE1 2.55Å; R807-E810 IonicContact NH1-OE1 2.65Å; R807-E810 PolarHBondContact NH1-OE1 3.42Å; E810-F812 PolarHBondContact O-N 3.31Å; E810-E813 PolarHBondContact O-N 3.11Å; E810-L814 WeakPolarHBondContact O-CB 3.38Å; E810-L814 PolarHBondContact O-N 2.98Å
811	Y	33.3	Very low	29	Very low	149 Å²	149	111.2 Å²	111.2	58%	0.584	55%	0.545	S	S	*	.	H	α-helix	trans	-58.6	-45.7	174.6	178	-104.1	0	0	0	112.7	S809 K815	S809-Y811 PolarHBondContact O-N 3.11Å; Y811-K815 WeakPolarHBondContact O-CB 3.21Å; Y811-K815 PolarHBondContact O-N 3.04Å
812	F	33.3	Very low	29.5	Very low	117 Å²	117	102.6 Å²	102.6	51%	0.513	51%	0.51	S	S	.	.	H	α-helix	trans	-72.2	-34.6	178.3	-69.4	-77.5	0	0	0	111.8	K808 S809 E810 K815 A816	K808-F812 WeakPolarHBondContact O-CD2 3.31Å; S809-F812 PolarHBondContact O-N 2.97Å; E810-F812 PolarHBondContact O-N 3.31Å; F812-K815 PolarHBondContact O-N 3.35Å; F812-A816 WeakPolarHBondContact O-CB 3.48Å; F812-A816 PolarHBondContact O-N 3.18Å
813	E	28.8	Very low	30.2	Very low	123 Å²	123	98.4 Å²	98.4	58%	0.575	49%	0.49	S	S	*	.	H	α-helix	trans	-74.7	-23.7	179.9	-161.9	173.1	-176.7	0	0	113.6	S809 E810	S809-E813 PolarHBondContact O-N 3.12Å; E810-E813 PolarHBondContact O-N 3.11Å
814	L	29.8	Very low	30.8	Very low	107 Å²	107	93.6 Å²	93.6	56%	0.56	46%	0.458	S	S	*	.	H	α-helix	trans	-82.9	-40.1	169.4	-90	156.1	0	0	0	112.7	E810 A816 K817 L818	E810-L814 WeakPolarHBondContact O-CB 3.38Å; E810-L814 PolarHBondContact O-N 2.98Å; L814-A816 PolarHBondContact O-N 2.93Å; L814-K817 PolarHBondContact O-N 2.93Å; L814-L818 WeakPolarHBondContact O-CD1 3.13Å
815	K	30.2	Very low	31.5	Very low	53 Å²	53	92.6 Å²	92.6	23%	0.23	45%	0.448	C	S	.	.	H	α-helix	trans	-56.4	-39.5	169.4	-171.7	163.6	-176.3	162.8	0	110.5	D212 Y811 F812 K817	D212-K815 IonicContact OD1-NZ 3.73Å; D212-K815 PolarHBondContact OD1-NZ 3.33Å; D212-K815 WeakPolarHBondContact OD2-CE 3.23Å; D212-K815 IonicContact OD2-NZ 2.67Å; D212-K815 PolarHBondContact OD2-NZ 3.32Å; Y811-K815 WeakPolarHBondContact O-CB 3.21Å; Y811-K815 PolarHBondContact O-N 3.04Å; F812-K815 PolarHBondContact O-N 3.35Å; K815-K817 PolarHBondContact O-N 3.17Å
816	A	30.6	Very low	32.2	Very low	22 Å²	22	88.2 Å²	88.2	18%	0.182	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	30.7	175.7	0	0	0	0	0	115.8	Y140 D164 F812 L814	Y140-A816 HydrophobicContact CD1-CB 3.78Å; Y140-A816 WeakPolarHBondContact CD1-O 3.27Å; Y140-A816 HydrophobicContact CE1-CB 3.96Å; Y140-A816 VanDerWaalsContact CE1-O 3.28Å; Y140-A816 WeakPolarHBondContact CE1-O 3.4Å; D164-A816 HydrophobicContact CB-CB 4.25Å; F812-A816 WeakPolarHBondContact O-CB 3.48Å; F812-A816 PolarHBondContact O-N 3.18Å; L814-A816 PolarHBondContact O-N 2.93Å
817	K	26.6	Very low	32.9	Very low	104 Å²	104	80 Å²	80	45%	0.452	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.6	23.3	171.5	-68.7	-162.1	175.9	80.8	0	114.7	L814 K815	L814-K817 PolarHBondContact O-N 2.93Å; K815-K817 PolarHBondContact O-N 3.17Å
818	L	28.1	Very low	33.4	Very low	67 Å²	67	75.3 Å²	75.3	35%	0.351	38%	0.376	S	S	.	.			trans	-121.3	-20	-166.5	-77.8	164.1	0	0	0	116.8	Y140 Y458 L814 S820	Y140-L818 PolarHBondContact OH-N 3.34Å; Y458-L818 VanDerWaalsContact OH-CD1 3.31Å; Y458-L818 WeakPolarHBondContact OH-CD1 3.36Å; L814-L818 WeakPolarHBondContact O-CD1 3.13Å; L818-S820 PolarHBondContact O-N 3.48Å
819	Q	34	Very low	34	Very low	33 Å²	33	73.2 Å²	73.2	15%	0.154	37%	0.369	C	S	.	.			trans	-87.6	113.3	-172.8	-63.1	174.3	26.4	0	0	109.5	Y140 N163 D164 R186	Y140-Q819 WeakPolarHBondContact OH-CB 3.48Å; Y140-Q819 PolarHBondContact OH-N 3.08Å; N163-Q819 VanDerWaalsContact CB-OE1 3.26Å; N163-Q819 PolarHBondContact ND2-OE1 2.86Å; N163-Q819 VanDerWaalsContact ND2-OE1 3.08Å; D164-Q819 PolarHBondContact OD2-NE2 2.88Å; D164-Q819 PolarHBondContact OD2-OE1 3.33Å; R186-Q819 VanDerWaalsContact CZ-OE1 3.24Å; R186-Q819 VanDerWaalsContact NE-OE1 3.12Å; R186-Q819 VanDerWaalsContact NH2-OE1 3.07Å
820	S	35.5	Very low	34.8	Very low	63 Å²	63	72.3 Å²	72.3	44%	0.441	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-80.8	123.2	171.6	55.9	0	0	0	0	109.8	L818	L818-S820 PolarHBondContact O-N 3.48Å
821	S	30.2	Very low	35.3	Very low	40 Å²	40	71.1 Å²	71.1	28%	0.28	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-57.4	143.4	174.2	46.5	0	0	0	0	113.2	Y135 Q137	Y135-S821 WeakPolarHBondContact OH-CB 3.12Å; Y135-S821 PolarHBondContact OH-OG 3.21Å; Q137-S821 PolarHBondContact NE2-OG 3.08Å; Q137-S821 PolarHBondContact OE1-OG 2.84Å
822	P	33.1	Very low	35.8	Very low	24 Å²	24	67.2 Å²	67.2	16%	0.156	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-64.9	148	174.6	27	-35.2	0	0	0	112.3	Y135 V159 I161	Y135-P822 WeakPolarHBondContact CE2-O 3.48Å; V159-P822 HydrophobicContact CG1-CG 4.17Å; I161-P822 HydrophobicContact CD1-CG 4.34Å; I161-P822 HydrophobicContact CG1-CG 4.44Å
823	D	37.5	Very low	36.1	Very low	61 Å²	61	64.4 Å²	64.4	33%	0.326	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-82.3	134.3	179.7	-178.8	16.9	0	0	0	112.1	L825 Q826 V827	D823-L825 PolarHBondContact O-N 3.42Å; D823-L825 PolarHBondContact OD1-N 2.77Å; D823-Q826 PolarHBondContact O-N 3.13Å; D823-V827 WeakPolarHBondContact O-CG2 3.22Å; D823-V827 PolarHBondContact O-N 3.25Å
824	Y	37	Very low	36.6	Very low	24 Å²	24	62 Å²	62	9%	0.094	33%	0.332	C	S	.	.	H	α-helix	trans	-61.4	-26.3	-179.2	-175.6	-113.6	0	0	0	113.8	E134 K158 V159 L828	E134-Y824 HydrophobicContact CB-CE2 3.82Å; E134-Y824 WeakPolarHBondContact CB-OH 3.4Å; E134-Y824 VanDerWaalsContact OE2-CZ 3.3Å; E134-Y824 PolarHBondContact OE2-OH 2.8Å; K158-Y824 HydrophobicContact CD-CE2 4.08Å; K158-Y824 PolarHBondContact NZ-OH 3.49Å; V159-Y824 HydrophobicContact CG2-CD2 4.1Å; Y824-L828 PolarHBondContact O-N 3.06Å
825	L	38	Very low	36.8	Very low	107 Å²	107	62.8 Å²	62.8	56%	0.56	34%	0.336	S	S	*	.	H	α-helix	trans	-71	-43.5	175.8	-73.9	169	0	0	0	112.3	D823 V827 L828 E829	D823-L825 PolarHBondContact O-N 3.42Å; D823-L825 PolarHBondContact OD1-N 2.77Å; L825-V827 VanDerWaalsContact C-N 3.26Å; L825-V827 PolarHBondContact O-N 2.97Å; L825-L828 WeakPolarHBondContact O-CA 3.34Å; L825-L828 WeakPolarHBondContact O-CB 3.39Å; L825-L828 PolarHBondContact O-N 2.8Å; L825-E829 PolarHBondContact O-N 3.35Å
826	Q	42.2	Very low	37	Very low	73 Å²	73	68.3 Å²	68.3	34%	0.341	36%	0.36	S	S	.	.	H	α-helix	trans	-55.8	-44.1	174.9	-173	-170.5	-31.8	0	0	110.7	D823 L828 E829 E830	D823-Q826 PolarHBondContact O-N 3.13Å; Q826-L828 PolarHBondContact O-N 2.72Å; Q826-E829 PolarHBondContact O-N 2.83Å; Q826-E829 VanDerWaalsContact O-N 3.16Å; Q826-E830 WeakPolarHBondContact CG-OE1 3.42Å; Q826-E830 PolarHBondContact NE2-OE1 3.37Å; Q826-E830 WeakPolarHBondContact O-CG 3.47Å; Q826-E830 PolarHBondContact O-N 3Å
827	V	41.6	Very low	37.2	Very low	2 Å²	2	77 Å²	77	1%	0.012	40%	0.401	C	S	.	.	H	α-helix	trans	-58.8	-32.8	176	-178	0	0	0	0	112.7	K158 V159 T181 H182 D823 L825 Q831	K158-V827 HydrophobicContact CB-CG1 4.49Å; V159-V827 HydrophobicContact CG2-CB 4.25Å; V159-V827 HydrophobicContact CG2-CG1 4.02Å; V159-V827 HydrophobicContact CG2-CG2 3.73Å; T181-V827 WeakPolarHBondContact OG1-CG1 3.2Å; H182-V827 VanDerWaalsContact CE1-CG2 3.46Å; H182-V827 WeakPolarHBondContact CE1-CG2 3.21Å; H182-V827 WeakPolarHBondContact ND1-CG2 3.35Å; D823-V827 WeakPolarHBondContact O-CG2 3.22Å; D823-V827 PolarHBondContact O-N 3.25Å; L825-V827 VanDerWaalsContact C-N 3.26Å; L825-V827 PolarHBondContact O-N 2.97Å; V827-Q831 VanDerWaalsContact O-CB 3.24Å; V827-Q831 WeakPolarHBondContact O-CB 3.23Å; V827-Q831 PolarHBondContact O-N 2.98Å
828	L	40.8	Very low	37.7	Very low	66 Å²	66	75.6 Å²	75.6	35%	0.346	40%	0.399	S	S	.	.	H	α-helix	trans	-78.3	-34.8	178.7	-149.2	74.7	0	0	0	112.5	Y824 L825 Q826 T832	Y824-L828 PolarHBondContact O-N 3.06Å; L825-L828 WeakPolarHBondContact O-CA 3.34Å; L825-L828 WeakPolarHBondContact O-CB 3.39Å; L825-L828 PolarHBondContact O-N 2.8Å; Q826-L828 PolarHBondContact O-N 2.72Å; L828-T832 WeakPolarHBondContact O-CG2 3.46Å; L828-T832 PolarHBondContact O-N 2.81Å; L828-T832 PolarHBondContact O-OG1 2.84Å
829	E	43.4	Very low	38.3	Very low	142 Å²	142	76.1 Å²	76.1	66%	0.664	40%	0.401	S	S	*	.	H	α-helix	trans	-71.7	-45.6	176.6	-66.7	-166.3	149.8	0	0	111.6	L825 Q826 Q831 T832 A833	L825-E829 PolarHBondContact O-N 3.35Å; Q826-E829 PolarHBondContact O-N 2.83Å; Q826-E829 VanDerWaalsContact O-N 3.16Å; E829-Q831 VanDerWaalsContact C-N 3.32Å; E829-Q831 PolarHBondContact O-N 2.95Å; E829-T832 WeakPolarHBondContact CA-OG1 3.32Å; E829-T832 CarbonylContact O-C 3.49Å; E829-T832 PolarHBondContact O-N 2.8Å; E829-T832 VanDerWaalsContact O-N 3.07Å; E829-T832 PolarHBondContact O-OG1 2.79Å; E829-A833 PolarHBondContact O-N 2.9Å
830	E	46.1	Very low	38.5	Very low	56 Å²	56	78.4 Å²	78.4	26%	0.262	42%	0.415	S	S	.	.	H	α-helix	trans	-61.4	-40.5	174.2	-69.9	174	-176.5	0	0	111.6	H182 V206 Q826 T832 A833 L834	H182-E830 IonicContact CE1-OE2 2.68Å; H182-E830 PolarHBondContact CE1-OE2 3.17Å; H182-E830 IonicContact NE2-OE2 3.09Å; V206-E830 WeakPolarHBondContact CG1-OE2 3.31Å; Q826-E830 WeakPolarHBondContact CG-OE1 3.42Å; Q826-E830 PolarHBondContact NE2-OE1 3.37Å; Q826-E830 WeakPolarHBondContact O-CG 3.47Å; Q826-E830 PolarHBondContact O-N 3Å; E830-T832 VanDerWaalsContact C-N 3.33Å; E830-T832 PolarHBondContact O-N 3.45Å; E830-A833 PolarHBondContact O-N 2.97Å; E830-L834 PolarHBondContact O-N 3.07Å
831	Q	40.8	Very low	38.7	Very low	61 Å²	61	79.4 Å²	79.4	29%	0.285	41%	0.413	S	S	.	.	H	α-helix	trans	-63.3	-35.6	173	-178	169.3	46.3	0	0	112.6	V827 E829 N835	V827-Q831 VanDerWaalsContact O-CB 3.24Å; V827-Q831 WeakPolarHBondContact O-CB 3.23Å; V827-Q831 PolarHBondContact O-N 2.98Å; E829-Q831 VanDerWaalsContact C-N 3.32Å; E829-Q831 PolarHBondContact O-N 2.95Å; Q831-N835 PolarHBondContact O-N 3.3Å; Q831-N835 PolarHBondContact O-ND2 3.36Å; Q831-N835 VanDerWaalsContact O-CG 3.32Å; Q831-N835 WeakPolarHBondContact O-CB 3.45Å
832	T	45.2	Very low	39.2	Very low	67 Å²	67	81.8 Å²	81.8	41%	0.411	42%	0.422	S	S	.	.	H	α-helix	trans	-86.8	-6.9	177.8	51.8	0	0	0	0	114.4	L828 E829 E830 K836	L828-T832 WeakPolarHBondContact O-CG2 3.46Å; L828-T832 PolarHBondContact O-N 2.81Å; L828-T832 PolarHBondContact O-OG1 2.84Å; E829-T832 WeakPolarHBondContact CA-OG1 3.32Å; E829-T832 CarbonylContact O-C 3.49Å; E829-T832 PolarHBondContact O-N 2.8Å; E829-T832 VanDerWaalsContact O-N 3.07Å; E829-T832 PolarHBondContact O-OG1 2.79Å; E830-T832 VanDerWaalsContact C-N 3.33Å; E830-T832 PolarHBondContact O-N 3.45Å; T832-K836 VanDerWaalsContact O-CD 3.23Å; T832-K836 WeakPolarHBondContact O-CD 3.11Å; T832-K836 WeakPolarHBondContact O-CE 3.09Å; T832-K836 WeakPolarHBondContact O-CG 3.11Å; T832-K836 PolarHBondContact O-NZ 3.27Å; T832-K836 VanDerWaalsContact O-NZ 3.16Å
833	A	39.3	Very low	39.6	Very low	57 Å²	57	85.7 Å²	85.7	47%	0.471	44%	0.439	S	S	.	.	H	α-helix	trans	-79.8	-48.3	160.4	0	0	0	0	0	110.8	E829 E830 N835 K836	E829-A833 PolarHBondContact O-N 2.9Å; E830-A833 PolarHBondContact O-N 2.97Å; A833-N835 PolarHBondContact O-N 3.34Å; A833-K836 PolarHBondContact O-N 3.47Å; A833-K836 VanDerWaalsContact O-N 3.17Å
834	L	38.9	Very low	39.7	Very low	74 Å²	74	87.4 Å²	87.4	39%	0.387	45%	0.448	S	S	.	.	H	α-helix	trans	-62.5	-39.3	178.7	-82.1	161.7	0	0	0	113.2	V206 E830 K836 I837	V206-L834 HydrophobicContact CG2-CD1 3.78Å; E830-L834 PolarHBondContact O-N 3.07Å; L834-K836 PolarHBondContact O-N 3.43Å; L834-I837 PolarHBondContact O-N 3.38Å
835	N	34.5	Very low	40	Very low	122 Å²	122	92.3 Å²	92.3	65%	0.652	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	9.7	175.8	-74.8	-26.2	0	0	0	114.8	Q831 A833	Q831-N835 PolarHBondContact O-N 3.3Å; Q831-N835 PolarHBondContact O-ND2 3.36Å; Q831-N835 VanDerWaalsContact O-CG 3.32Å; Q831-N835 WeakPolarHBondContact O-CB 3.45Å; A833-N835 PolarHBondContact O-N 3.34Å
836	K	33.3	Very low	40.1	Very low	170 Å²	170	91.1 Å²	91.1	74%	0.739	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	6.7	177	-67.8	174.1	-173.1	146.4	0	113.4	T832 A833 L834	T832-K836 VanDerWaalsContact O-CD 3.23Å; T832-K836 WeakPolarHBondContact O-CD 3.11Å; T832-K836 WeakPolarHBondContact O-CE 3.09Å; T832-K836 WeakPolarHBondContact O-CG 3.11Å; T832-K836 PolarHBondContact O-NZ 3.27Å; T832-K836 VanDerWaalsContact O-NZ 3.16Å; A833-K836 PolarHBondContact O-N 3.47Å; A833-K836 VanDerWaalsContact O-N 3.17Å; L834-K836 PolarHBondContact O-N 3.43Å
837	I	35.5	Very low	39.9	Very low	203 Å²	203	92.7 Å²	92.7	100%	1.041	48%	0.479	S	S	*	.			trans	-109.5	0	177.1	-57.7	177.7	0	0	0	108.5	L834	L834-I837 PolarHBondContact O-N 3.38Å

Retrieved 837 of 837 residues in 362.5 ms (Link to these results)

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