A0A3Q0KPW3_SCHMA Loading...

MATH domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KPW3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 834 aa.

						>A0A3Q0KPW3_SCHMA|A0A3Q0KPW3
MDALRATLDSTDGQVATVSRTSSPPPSDLLSPPPVVAEYWCHTQVRVTKMKYVWTISNFSFCREEMGEVVKSSFFSCGPNDKLKWCLRINPKGLDEESREYLSLYLLLVNCGTKSEARAKFKFSILNAKREETKAMESQRAYRFVQGKDWGFKKFIRRDVLMDEANGLLPNDRLTILCEVSVVGEILSESGQVNNQPITVPECNLHEDIGSLLFKQLLTDVTLVVVSNNPPNGKCLSDCSISHVHQHSCASGHTLPGLSSVNEQVTKFSAYESTGEEDEDDLDEGEEFDDEDDDEEDEDEQQENESEREEDTQSSYRESQLTLLVEDGIHLASNGNNNNNNEQGEAEAATATHRALVTNDNHASSTSSHPNHQLTHVMSSTLTPATTTNIPTKGIIVPIASTNPSPLLVPCTGGASDPSSVKQFPLDNPTNNVSNGDWRSATSSSSFVSAQGHANRDDQEVKSNGICDVSQRTSDGTWSSSKNGVHRCRMSGSVPSTSSALPTTTDSSSSSTSSGKMKQTAGHNADVGSSSTTTSSTTISQSSSLVNTVSTPLITSKEESEDTEESVEAETSGTSSRVRRSTRRRNTTSTTTTSNRPRNRTSRDSSLLATVSKAASTTSSHSNLVATPSSSTACSLGTTNQTVKCSSMGTSNNSSSTVNGASSSNVVLRQFEAHKAILAARSPVFAAMFGHGMEESRANRVEITDMEPDTVAEVLRYIYTGQVVGMNRLAHELLAAADKYQLERLKTMCEEALVESLSVENACDIFGLADMHNAEQLKAHTLEFIMLHAHDVCETEGYEQLVRHRPRLLNECFRSLASQQLPLRCWARKRPRQS
					

Structure Viewer

Loading PAE data...

(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	39.7	Very low	38.4	Very low	219 Å²	219	143.8 Å²	143.8	100%	1.079	80%	0.803	S	S	*	*				0	67.6	0	-48.2	-70	-98.1	0	0	107.4
2	D	31.7	Very low	38.4	Very low	144 Å²	144	144.8 Å²	144.8	77%	0.77	81%	0.805	S	S	*	*			cis	67.1	134.6	37.7	-60.4	-60.1	0	0	0	113.8
3	A	37.7	Very low	38.3	Very low	94 Å²	94	139.2 Å²	139.2	78%	0.777	80%	0.801	S	S	*	*			trans	67.4	116	-158.7	0	0	0	0	0	113.7
4	L	41.6	Very low	38.1	Very low	171 Å²	171	143.6 Å²	143.6	90%	0.895	81%	0.811	S	S	*	*			cis	-129.4	146.2	-3.4	-71.3	96.9	0	0	0	112.3
5	R	35.4	Very low	37.9	Very low	231 Å²	231	143.5 Å²	143.5	87%	0.872	81%	0.814	S	S	*	*			trans	-101.2	167.4	161.7	-84.7	-175.8	168.6	110.8	-6.5	109.5
6	A	41.7	Very low	37.8	Very low	89 Å²	89	140.3 Å²	140.3	74%	0.736	81%	0.81	S	S	*	*			trans	76.5	158.4	161.7	0	0	0	0	0	115.4
7	T	39.3	Very low	37.7	Very low	119 Å²	119	137.8 Å²	137.8	73%	0.73	80%	0.798	S	S	*	*			cis	-152.2	152.8	15.7	-22.1	0	0	0	0	112.1
8	L	39.8	Very low	37.6	Very low	156 Å²	156	136.4 Å²	136.4	82%	0.817	79%	0.792	S	S	*	*			trans	68.5	123.7	165.3	-51.1	170.7	0	0	0	116.4
9	D	37	Very low	37.6	Very low	161 Å²	161	132.7 Å²	132.7	86%	0.861	78%	0.775	S	S	*	*			cis	93	154.2	19	-156.1	16.7	0	0	0	115.9
10	S	37.7	Very low	37.7	Very low	92 Å²	92	137.6 Å²	137.6	64%	0.643	78%	0.779	S	S	*	*			trans	94.2	91.9	178.2	-143.1	0	0	0	0	119.4
11	T	40.5	Very low	37.6	Very low	106 Å²	106	137.9 Å²	137.9	65%	0.65	78%	0.784	S	S	*	*				64.3	123.2	124.9	57.5	0	0	0	0	123.5
12	D	38.8	Very low	37.5	Very low	155 Å²	155	133.1 Å²	133.1	83%	0.829	77%	0.772	S	S	*	*				71.9	99.2	129.9	-54.1	-19.3	0	0	0	122.4
13	G	36.4	Very low	37.9	Very low	73 Å²	73	131.2 Å²	131.2	75%	0.753	77%	0.77	S	S	*	*				99.1	92.2	96.9	0	0	0	0	0	119.7
14	Q	36.4	Very low	38	Very low	201 Å²	201	132.3 Å²	132.3	94%	0.939	77%	0.769	S	S	*	*			trans	-163.9	159.4	130.5	-109.3	165.6	27.6	0	0	111.8
15	V	35	Very low	37.8	Very low	142 Å²	142	129.4 Å²	129.4	86%	0.861	76%	0.761	S	S	*	*			trans	-99.9	125.7	-168	177.9	0	0	0	0	112
16	A	36.2	Very low	38	Very low	91 Å²	91	124.6 Å²	124.6	75%	0.752	76%	0.76	S	S	*	*			trans	-145.4	123.2	158.8	0	0	0	0	0	109.1
17	T	35.7	Very low	38	Very low	98 Å²	98	125.6 Å²	125.6	60%	0.601	76%	0.761	S	S	*	*			trans	-78.6	126.6	-176.3	26.1	0	0	0	0	112
18	V	37.1	Very low	38.1	Very low	113 Å²	113	127 Å²	127	69%	0.685	76%	0.764	S	S	*	*			trans	-123.5	100.8	172.7	-179.2	0	0	0	0	108.9	R20	V18-R20 PolarHBondContact O-N 3.36Å
19	S	36.9	Very low	38.2	Very low	67 Å²	67	128.1 Å²	128.1	47%	0.469	77%	0.77	S	S	.	*	P	Polyproline II helix	trans	-67.5	120.2	176.8	-48.2	0	0	0	0	109.7	T381	S19-T381 PolarHBondContact OG-O 2.97Å
20	R	39	Very low	38.5	Very low	230 Å²	230	128 Å²	128	87%	0.868	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-89.5	147.8	-175	-66.9	-174.1	176.8	-156	-1	112.2	V18	V18-R20 PolarHBondContact O-N 3.36Å
21	T	35.1	Very low	39	Very low	143 Å²	143	128.8 Å²	128.8	88%	0.877	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-62.2	129.8	176	51.1	0	0	0	0	112.2
22	S	39.5	Very low	39.5	Very low	119 Å²	119	128.9 Å²	128.9	83%	0.832	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-79.5	132.5	169.2	42.7	0	0	0	0	111.4
23	S	38.2	Very low	40.2	Very low	105 Å²	105	126.7 Å²	126.7	73%	0.734	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-77.7	145	166.7	51.1	0	0	0	0	110.6
24	P	41.3	Very low	41.7	Very low	116 Å²	116	128.9 Å²	128.9	75%	0.753	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-65.9	153.2	174.9	28.9	-35.1	0	0	0	111.9
25	P	36.6	Very low	43.2	Very low	111 Å²	111	125.9 Å²	125.9	72%	0.721	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-72.6	158.8	177.2	31.7	-35.9	0	0	0	112.3
26	P	39.6	Very low	44.9	Very low	130 Å²	130	125.6 Å²	125.6	84%	0.844	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-75.4	128.5	175.1	31.1	-33.5	0	0	0	111.5
27	S	42.3	Very low	46.5	Very low	109 Å²	109	123.7 Å²	123.7	76%	0.762	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-81.3	117.1	179.3	-55.4	0	0	0	0	113
28	D	41.4	Very low	48.5	Very low	150 Å²	150	125.9 Å²	125.9	80%	0.802	75%	0.753	S	S	*	*			trans	30.8	88	147.5	-54.8	-42.9	0	0	0	119.2	L30	D28-L30 VanDerWaalsContact C-N 3.25Å; D28-L30 PolarHBondContact O-N 3.18Å
29	L	40.7	Very low	50.6	Low	179 Å²	179	127.4 Å²	127.4	94%	0.937	75%	0.747	S	S	*	*			trans	-76.4	68.6	162.9	-71.6	172.3	0	0	0	111.5
30	L	44.2	Very low	52.9	Low	158 Å²	158	130 Å²	130	83%	0.827	75%	0.747	S	S	*	*			trans	-150.1	33.8	179.1	-113.5	159.9	0	0	0	115.2	D28	D28-L30 VanDerWaalsContact C-N 3.25Å; D28-L30 PolarHBondContact O-N 3.18Å
31	S	47.6	Very low	55.1	Low	109 Å²	109	123 Å²	123	76%	0.762	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-63.5	128.8	162.7	57.8	0	0	0	0	110.1
32	P	50.8	Low	57.4	Low	107 Å²	107	120.8 Å²	120.8	70%	0.695	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-60.4	152.7	171.5	26.9	-34.1	0	0	0	110.4
33	P	54.4	Low	59.8	Low	110 Å²	110	118.7 Å²	118.7	71%	0.714	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-58.3	139.9	178.6	25.5	-34.3	0	0	0	110.3	V35	P33-V35 PolarHBondContact O-N 3.48Å
34	P	68.2	Low	62.1	Low	118 Å²	118	118.5 Å²	118.5	77%	0.766	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-61.6	123.7	-175.9	24.8	-33.8	0	0	0	110.4	V36	P34-V36 PolarHBondContact O-N 2.85Å
35	V	68.6	Low	64.5	Low	138 Å²	138	116.3 Å²	116.3	84%	0.836	67%	0.666	S	S	*	*			trans	-69.1	104.1	173.9	179.2	0	0	0	0	107.8	P33 A37	P33-V35 PolarHBondContact O-N 3.48Å; V35-A37 PolarHBondContact O-N 3.48Å; V35-A37 VanDerWaalsContact O-N 3.1Å
36	V	69.2	Low	67.1	Low	136 Å²	136	116.6 Å²	116.6	82%	0.824	65%	0.653	S	S	*	*			trans	-75.2	99.4	177.4	-176.5	0	0	0	0	108.6	P34	P34-V36 PolarHBondContact O-N 2.85Å
37	A	70.5	Confident	69.6	Low	51 Å²	51	114 Å²	114	42%	0.421	63%	0.634	S	S	.	*			trans	-103.7	138.4	171.3	0	0	0	0	0	110	V35 Y39 V193	V35-A37 PolarHBondContact O-N 3.48Å; V35-A37 VanDerWaalsContact O-N 3.1Å; A37-Y39 WeakPolarHBondContact CB-O 3.42Å; A37-Y39 PolarHBondContact O-N 3.39Å; A37-V193 VanDerWaalsContact O-CG2 3.25Å; A37-V193 WeakPolarHBondContact O-CG2 3.32Å
38	E	77.4	Confident	72	Confident	144 Å²	144	112 Å²	112	67%	0.673	62%	0.618	S	S	*	*	S	Bend	trans	-65.9	-25.1	177.2	-63	-178.6	162	0	0	113	Q192 V193	E38-Q192 WeakPolarHBondContact O-CA 3.45Å; E38-V193 PolarHBondContact O-N 2.85Å
39	Y	81.1	Confident	74.5	Confident	146 Å²	146	112.2 Å²	112.2	57%	0.573	61%	0.611	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-125.8	138.4	-178.8	-54.2	-96.6	0	0	0	108.7	A37 G191 Q192	A37-Y39 WeakPolarHBondContact CB-O 3.42Å; A37-Y39 PolarHBondContact O-N 3.39Å; Y39-G191 WeakPolarHBondContact CA-O 3.46Å; Y39-Q192 HydrophobicContact CD1-CG 3.9Å; Y39-Q192 HydrophobicContact CE1-CG 3.92Å; Y39-Q192 VanDerWaalsContact CE1-NE2 3.29Å
40	W	85.1	Confident	77.1	Confident	120 Å²	120	104.6 Å²	104.6	46%	0.455	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.7	153.6	171.8	60.2	-91.1	0	0	0	110.7	H42 E189 S190 G191	W40-H42 HydrophobicContact CE3-CB 4.29Å; W40-H42 HydrophobicContact CZ3-CB 4.09Å; W40-E189 HydrophobicContact CH2-CB 4.24Å; W40-E189 HydrophobicContact CZ3-CB 3.95Å; W40-E189 WeakPolarHBondContact CZ3-O 3.12Å; W40-S190 VanDerWaalsContact O-CA 3.28Å; W40-S190 WeakPolarHBondContact O-CA 3.34Å; W40-G191 PolarHBondContact N-O 2.84Å; W40-G191 PolarHBondContact O-N 2.86Å
41	C	85	Confident	79.5	Confident	85 Å²	85	102.7 Å²	102.7	57%	0.574	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-137.3	126.4	169.8	-171.1	0	0	0	0	108.2	E189	C41-E189 CarbonylContact C-O 3.53Å; C41-E189 WeakPolarHBondContact CA-O 3.36Å
42	H	83.9	Confident	81.9	Confident	96 Å²	96	99.7 Å²	99.7	44%	0.444	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	109.4	173.5	178.1	67.9	0	0	0	108.8	W40 S188 E189	W40-H42 HydrophobicContact CE3-CB 4.29Å; W40-H42 HydrophobicContact CZ3-CB 4.09Å; H42-S188 WeakPolarHBondContact O-CA 3.38Å; H42-E189 PolarHBondContact N-O 2.87Å; H42-E189 PolarHBondContact O-N 2.94Å
43	T	89.2	Confident	84.1	Confident	74 Å²	74	98.2 Å²	98.2	45%	0.454	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	114.2	175.4	-60.1	0	0	0	0	110	I186 L187 S188	T43-I186 HydrophobicContact CG2-CG2 3.33Å; T43-L187 CarbonylContact C-O 3.52Å; T43-L187 WeakPolarHBondContact CA-O 3.28Å; T43-S188 WeakPolarHBondContact CG2-OG 3.21Å; T43-S188 PolarHBondContact OG1-OG 2.91Å
44	Q	87.6	Confident	86.2	Confident	102 Å²	102	94.5 Å²	94.5	48%	0.477	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.4	173	-176.9	177.8	98.2	0	0	110.3	L187	Q44-L187 PolarHBondContact N-O 3.38Å; Q44-L187 PolarHBondContact O-N 3.23Å
45	V	90.7	Very high	87.5	Confident	70 Å²	70	91.7 Å²	91.7	42%	0.424	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	118.2	165	-176.7	0	0	0	0	108.1	V183 I186	V45-V183 HydrophobicContact CG1-CG1 3.68Å; V45-I186 HydrophobicContact CG1-CG1 4.35Å; V45-I186 HydrophobicContact CG2-CD1 4.33Å; V45-I186 HydrophobicContact CG2-CG1 4.13Å; V45-I186 HydrophobicContact CG2-CG2 4.35Å
46	R	91.7	Very high	88.9	Confident	116 Å²	116	86.2 Å²	86.2	44%	0.438	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	138.3	173.5	-70.3	180	162.2	176.7	-6.9	109.9	G184 E185 L187	R46-G184 WeakPolarHBondContact O-CA 3.24Å; R46-G184 PolarHBondContact O-N 2.83Å; R46-E185 WeakPolarHBondContact CB-O 3.22Å; R46-E185 PolarHBondContact N-O 3.5Å; R46-E185 IonicContact NH1-OE2 2.96Å; R46-E185 PolarHBondContact NH1-OE2 3.34Å; R46-L187 VanDerWaalsContact CZ-CD1 3.47Å
47	V	92.3	Very high	90.1	Very high	76 Å²	76	82.3 Å²	82.3	46%	0.461	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	121.5	176.2	-179.8	0	0	0	0	109.4	K49 V182	V47-K49 HydrophobicContact CG1-CG 4.26Å; V47-V182 WeakPolarHBondContact CA-O 3.22Å
48	T	92.1	Very high	91.2	Very high	68 Å²	68	84.5 Å²	84.5	42%	0.417	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	117.7	-178.5	-64.7	0	0	0	0	109	C77 S181 V182	T48-C77 HydrophobicContact CG2-CB 3.99Å; T48-C77 WeakPolarHBondContact CG2-SG 3.31Å; T48-S181 CarbonylContact O-C 3.6Å; T48-S181 WeakPolarHBondContact O-CA 3.37Å; T48-V182 PolarHBondContact N-O 3.41Å; T48-V182 PolarHBondContact O-N 3.02Å
49	K	94	Very high	92.1	Very high	153 Å²	153	77.7 Å²	77.7	67%	0.665	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.3	-175.3	-62.2	-161.9	172.4	-166.8	0	112.4	V47 V180 S181	V47-K49 HydrophobicContact CG1-CG 4.26Å; K49-V180 WeakPolarHBondContact CA-O 3.41Å; K49-S181 WeakPolarHBondContact CE-OG 3.35Å
50	M	94.7	Very high	92.6	Very high	20 Å²	20	74 Å²	74	10%	0.099	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.8	170.2	59.7	176.3	179.5	0	0	111.5	F75 C77 W85 E179 V180	M50-F75 HydrophobicContact CE-CD2 3.91Å; M50-F75 HydrophobicContact CE-CE2 3.72Å; M50-F75 HydrophobicContact SD-CD2 3.96Å; M50-F75 HydrophobicContact SD-CE2 4.26Å; M50-C77 HydrophobicContact CB-CB 4.34Å; M50-C77 HydrophobicContact SD-CB 4.07Å; M50-W85 HydrophobicContact CE-CD2 4.27Å; M50-W85 HydrophobicContact CE-CG 3.89Å; M50-E179 WeakPolarHBondContact O-CA 3.13Å; M50-V180 HydrophobicContact CE-CB 3.63Å; M50-V180 HydrophobicContact CE-CG1 3.92Å; M50-V180 HydrophobicContact CE-CG2 3.85Å; M50-V180 HydrophobicContact CG-CB 3.96Å; M50-V180 PolarHBondContact N-O 3Å; M50-V180 PolarHBondContact O-N 3.36Å
51	K	95.9	Very high	92.9	Very high	118 Å²	118	75.5 Å²	75.5	51%	0.513	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.3	169.7	-66.4	-148.4	-173	-148	0	109.2	E132 L177 C178 E179	K51-E132 IonicContact NZ-OE1 3.39Å; K51-E132 PolarHBondContact NZ-OE1 3.3Å; K51-E132 VanDerWaalsContact NZ-OE1 3.08Å; K51-L177 HydrophobicContact CB-CD1 4.05Å; K51-L177 HydrophobicContact CD-CD1 3.99Å; K51-L177 HydrophobicContact CD-CD2 4.29Å; K51-L177 HydrophobicContact CG-CD1 4.5Å; K51-C178 CarbonylContact C-O 3.57Å; K51-C178 WeakPolarHBondContact CA-O 3.45Å; K51-E179 HydrophobicContact CD-CG 3.9Å; K51-E179 WeakPolarHBondContact CE-OE1 3.22Å; K51-E179 WeakPolarHBondContact CE-OE2 3.46Å; K51-E179 HydrophobicContact CG-CB 4.45Å; K51-E179 HydrophobicContact CG-CG 3.96Å; K51-E179 IonicContact NZ-OE1 2.71Å; K51-E179 PolarHBondContact NZ-OE1 3.48Å; K51-E179 IonicContact NZ-OE2 3.37Å; K51-E179 PolarHBondContact NZ-OE2 2.73Å
52	Y	97	Very high	93	Very high	45 Å²	45	72.8 Å²	72.8	18%	0.176	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.9	178.7	179.1	-107.7	0	0	0	109.8	W54 S73 F75 L87 C178	Y52-W54 HydrophobicContact CD1-CB 4.49Å; Y52-W54 HydrophobicContact CE1-CB 3.89Å; Y52-S73 PolarHBondContact OH-O 3.26Å; Y52-F75 AromaticContact CD1-CD1 3.56Å; Y52-F75 HydrophobicContact CD1-CD1 3.56Å; Y52-F75 AromaticContact CD1-CE1 3.4Å; Y52-F75 HydrophobicContact CD1-CE1 3.4Å; Y52-F75 HydrophobicContact CD1-CE2 4.37Å; Y52-F75 HydrophobicContact CD1-CG 4.14Å; Y52-F75 AromaticContact CD1-CZ 3.84Å; Y52-F75 HydrophobicContact CD1-CZ 3.84Å; Y52-F75 HydrophobicContact CD2-CB 3.69Å; Y52-F75 AromaticContact CD2-CD1 3.77Å; Y52-F75 HydrophobicContact CD2-CD1 3.77Å; Y52-F75 HydrophobicContact CD2-CD2 4.17Å; Y52-F75 HydrophobicContact CD2-CE1 4.4Å; Y52-F75 AromaticContact CD2-CG 3.63Å; Y52-F75 HydrophobicContact CD2-CG 3.63Å; Y52-F75 AromaticContact CE1-CD1 3.6Å; Y52-F75 HydrophobicContact CE1-CD1 3.6Å; Y52-F75 AromaticContact CE1-CE1 3.64Å; Y52-F75 HydrophobicContact CE1-CE1 3.64Å; Y52-F75 HydrophobicContact CE1-CG 4.44Å; Y52-F75 HydrophobicContact CE2-CB 3.84Å; Y52-F75 AromaticContact CE2-CD1 3.81Å; Y52-F75 HydrophobicContact CE2-CD1 3.81Å; Y52-F75 AromaticContact CE2-CG 3.99Å; Y52-F75 HydrophobicContact CE2-CG 3.99Å; Y52-F75 HydrophobicContact CG-CB 4.3Å; Y52-F75 AromaticContact CG-CD1 3.64Å; Y52-F75 HydrophobicContact CG-CD1 3.64Å; Y52-F75 AromaticContact CG-CD2 3.95Å; Y52-F75 HydrophobicContact CG-CD2 3.95Å; Y52-F75 AromaticContact CG-CE1 3.81Å; Y52-F75 HydrophobicContact CG-CE1 3.81Å; Y52-F75 HydrophobicContact CG-CE2 4.1Å; Y52-F75 AromaticContact CG-CG 3.71Å; Y52-F75 HydrophobicContact CG-CG 3.71Å; Y52-F75 HydrophobicContact CG-CZ 4.04Å; Y52-F75 AromaticContact CZ-CD1 3.73Å; Y52-L87 HydrophobicContact CD1-CD1 4Å; Y52-L87 HydrophobicContact CD1-CG 4.46Å; Y52-L87 HydrophobicContact CE1-CD1 4.2Å; Y52-C178 PolarHBondContact N-O 3.1Å; Y52-C178 PolarHBondContact O-N 2.7Å
53	V	97.2	Very high	93	Very high	76 Å²	76	78.5 Å²	78.5	46%	0.461	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.6	179.2	179	0	0	0	0	109.3	L126 T175 I176 L177	V53-L126 HydrophobicContact CG1-CD1 4.43Å; V53-T175 HydrophobicContact CG1-CG2 3.68Å; V53-I176 WeakPolarHBondContact CA-O 3.36Å; V53-L177 HydrophobicContact CG2-CB 4.47Å; V53-L177 HydrophobicContact CG2-CD1 3.68Å
54	W	98	Very high	93	Very high	33 Å²	33	77.7 Å²	77.7	13%	0.125	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121.4	177.9	-179.3	30.7	0	0	0	110.1	Y52 I56 V70 L87 I89 T175 I176	Y52-W54 HydrophobicContact CD1-CB 4.49Å; Y52-W54 HydrophobicContact CE1-CB 3.89Å; W54-I56 HydrophobicContact CH2-CD1 4.06Å; W54-I56 HydrophobicContact CZ2-CD1 3.89Å; W54-I56 HydrophobicContact CZ2-CG1 3.94Å; W54-V70 HydrophobicContact CH2-CB 4.22Å; W54-V70 HydrophobicContact CH2-CG1 3.95Å; W54-V70 HydrophobicContact CZ2-CG1 3.78Å; W54-L87 HydrophobicContact CB-CD1 4.39Å; W54-L87 HydrophobicContact CE3-CB 3.74Å; W54-L87 HydrophobicContact CE3-CD1 3.85Å; W54-L87 HydrophobicContact CE3-CG 4.44Å; W54-L87 HydrophobicContact CZ3-CB 3.73Å; W54-I89 HydrophobicContact CE3-CD1 3.98Å; W54-I89 HydrophobicContact CH2-CB 4.38Å; W54-I89 HydrophobicContact CH2-CD1 4.07Å; W54-I89 HydrophobicContact CH2-CG1 4.3Å; W54-I89 HydrophobicContact CZ3-CB 4.31Å; W54-I89 HydrophobicContact CZ3-CD1 3.47Å; W54-I89 VanDerWaalsContact CZ3-CD1 3.47Å; W54-I89 HydrophobicContact CZ3-CG1 3.75Å; W54-T175 WeakPolarHBondContact O-CA 3.29Å; W54-I176 PolarHBondContact N-O 3.36Å; W54-I176 PolarHBondContact O-N 3.38Å
55	T	97.3	Very high	93.1	Very high	59 Å²	59	78.2 Å²	78.2	36%	0.362	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.9	174.3	-60.6	0	0	0	0	110.1	R173 L174 T175	T55-R173 HydrophobicContact CG2-CB 4.06Å; T55-R173 HydrophobicContact CG2-CG 4.29Å; T55-L174 CarbonylContact C-O 3.55Å; T55-L174 WeakPolarHBondContact CA-O 3.47Å; T55-T175 WeakPolarHBondContact CG2-OG1 3.48Å; T55-T175 WeakPolarHBondContact OG1-CG2 3.23Å; T55-T175 PolarHBondContact OG1-OG1 2.94Å
56	I	96.6	Very high	93.2	Very high	23 Å²	23	78.4 Å²	78.4	12%	0.118	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	132.8	161.3	-55.5	175.4	0	0	0	106.8	W54 F59 V70 I89 R173 L174	W54-I56 HydrophobicContact CH2-CD1 4.06Å; W54-I56 HydrophobicContact CZ2-CD1 3.89Å; W54-I56 HydrophobicContact CZ2-CG1 3.94Å; I56-F59 HydrophobicContact CB-CD2 4.25Å; I56-F59 HydrophobicContact CD1-CD2 4.38Å; I56-F59 HydrophobicContact CD1-CE2 4.44Å; I56-F59 HydrophobicContact CG2-CD2 3.98Å; I56-V70 HydrophobicContact CD1-CG1 4.18Å; I56-I89 HydrophobicContact CD1-CD1 4.01Å; I56-R173 CarbonylContact O-C 3.46Å; I56-R173 VanDerWaalsContact O-CA 3.31Å; I56-R173 WeakPolarHBondContact O-CA 3.39Å; I56-L174 PolarHBondContact N-O 2.71Å; I56-L174 PolarHBondContact O-N 2.73Å; I56-L174 VanDerWaalsContact O-N 3.12Å
57	S	95	Very high	93.2	Very high	54 Å²	54	74.5 Å²	74.5	38%	0.378	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	147.2	178.4	-49.4	0	0	0	0	109.6	R173	S57-R173 PolarHBondContact OG-NH1 2.83Å
58	N	94.3	Very high	93.3	Very high	96 Å²	96	75.9 Å²	75.9	51%	0.513	38%	0.38	S	S	.	.	S	Bend	trans	59.9	46.3	-173.2	-53.6	9.6	0	0	0	110.7	S60 F61 D172	N58-S60 VanDerWaalsContact C-N 3.3Å; N58-S60 PolarHBondContact O-N 2.79Å; N58-F61 HydrophobicContact CB-CB 4.48Å; N58-F61 HydrophobicContact CB-CD2 3.91Å; N58-F61 WeakPolarHBondContact O-CB 3.2Å; N58-F61 PolarHBondContact O-N 3.42Å; N58-D172 WeakPolarHBondContact CA-O 3.18Å; N58-D172 WeakPolarHBondContact CA-OD2 3.26Å; N58-D172 PolarHBondContact N-O 2.88Å
59	F	95	Very high	93.5	Very high	2 Å²	2	75.1 Å²	75.1	1%	0.009	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-62.8	-32.7	-171.5	-176.8	-101.1	0	0	0	113.3	I56 F61 C62 P91 L102 L161 M162 L169 D172 L174	I56-F59 HydrophobicContact CB-CD2 4.25Å; I56-F59 HydrophobicContact CD1-CD2 4.38Å; I56-F59 HydrophobicContact CD1-CE2 4.44Å; I56-F59 HydrophobicContact CG2-CD2 3.98Å; F59-F61 PolarHBondContact O-N 2.9Å; F59-F61 VanDerWaalsContact O-N 3.11Å; F59-C62 WeakPolarHBondContact O-CB 3.23Å; F59-C62 PolarHBondContact O-N 2.93Å; F59-P91 HydrophobicContact CE2-CB 4.29Å; F59-P91 HydrophobicContact CE2-CG 4.47Å; F59-P91 HydrophobicContact CZ-CB 4.05Å; F59-L102 HydrophobicContact CE1-CD1 4.31Å; F59-L102 HydrophobicContact CE2-CD1 4.22Å; F59-L102 HydrophobicContact CZ-CD1 3.57Å; F59-L161 HydrophobicContact CE1-CD2 3.76Å; F59-L161 HydrophobicContact CZ-CD2 4.27Å; F59-M162 HydrophobicContact CD1-CE 4.06Å; F59-M162 HydrophobicContact CD1-SD 4.3Å; F59-M162 HydrophobicContact CE1-CE 3.89Å; F59-M162 HydrophobicContact CE1-SD 4.4Å; F59-L169 HydrophobicContact CB-CD2 4.39Å; F59-L169 HydrophobicContact CD1-CD1 4.02Å; F59-L169 HydrophobicContact CD1-CD2 4.02Å; F59-L169 HydrophobicContact CG-CD2 4.39Å; F59-D172 WeakPolarHBondContact CA-OD1 3.28Å; F59-D172 WeakPolarHBondContact CB-OD1 3.49Å; F59-D172 PolarHBondContact N-O 3.49Å; F59-D172 VanDerWaalsContact N-O 3.13Å; F59-D172 PolarHBondContact N-OD1 3.4Å; F59-D172 PolarHBondContact N-OD2 3.26Å; F59-L174 HydrophobicContact CB-CB 4.12Å; F59-L174 HydrophobicContact CD1-CB 4.36Å; F59-L174 HydrophobicContact CD2-CB 3.87Å; F59-L174 HydrophobicContact CD2-CD2 3.86Å; F59-L174 HydrophobicContact CE1-CD2 4.31Å; F59-L174 HydrophobicContact CE2-CB 4.48Å; F59-L174 HydrophobicContact CE2-CD2 3.6Å; F59-L174 HydrophobicContact CG-CB 3.82Å; F59-L174 HydrophobicContact CG-CD2 4.34Å; F59-L174 HydrophobicContact CZ-CD2 3.87Å
60	S	91.2	Very high	93.6	Very high	68 Å²	68	69.1 Å²	69.1	48%	0.476	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-59.5	-19.4	172.4	70.1	0	0	0	0	113.7	N58 D172	N58-S60 VanDerWaalsContact C-N 3.3Å; N58-S60 PolarHBondContact O-N 2.79Å; S60-D172 WeakPolarHBondContact CB-OD2 3.18Å; S60-D172 PolarHBondContact N-OD1 3.08Å; S60-D172 PolarHBondContact N-OD2 2.94Å; S60-D172 VanDerWaalsContact N-OD2 3.12Å; S60-D172 PolarHBondContact OG-OD2 3.3Å
61	F	91.6	Very high	93.7	Very high	152 Å²	152	73.4 Å²	73.4	67%	0.667	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-96.4	8.2	177	-61	-95.6	0	0	0	114	N58 F59 R63	N58-F61 HydrophobicContact CB-CB 4.48Å; N58-F61 HydrophobicContact CB-CD2 3.91Å; N58-F61 WeakPolarHBondContact O-CB 3.2Å; N58-F61 PolarHBondContact O-N 3.42Å; F59-F61 PolarHBondContact O-N 2.9Å; F59-F61 VanDerWaalsContact O-N 3.11Å; F61-R63 PolarHBondContact O-N 3.05Å; F61-R63 VanDerWaalsContact O-N 3.13Å
62	C	87.2	Confident	93.7	Very high	28 Å²	28	68.2 Å²	68.2	19%	0.189	35%	0.348	C	S	.	.			trans	-55.2	117.9	169.2	-87.7	0	0	0	0	109.9	F59 E64 P91	F59-C62 WeakPolarHBondContact O-CB 3.23Å; F59-C62 PolarHBondContact O-N 2.93Å; C62-E64 WeakPolarHBondContact CA-OE2 3.11Å; C62-E64 WeakPolarHBondContact CB-OE2 3.46Å; C62-P91 HydrophobicContact CB-CB 4.12Å; C62-P91 HydrophobicContact CB-CG 4.15Å
63	R	85.1	Confident	93.7	Very high	216 Å²	216	70.4 Å²	70.4	82%	0.815	37%	0.37	S	S	*	.			trans	-86.1	-27.1	-176.8	-65.5	-171.6	176.3	-163.1	-3.1	111.8	F61 E65 K92	F61-R63 PolarHBondContact O-N 3.05Å; F61-R63 VanDerWaalsContact O-N 3.13Å; R63-E65 PolarHBondContact O-N 2.83Å; R63-K92 PolarHBondContact O-NZ 3.22Å
64	E	88.4	Confident	93.6	Very high	57 Å²	57	73.4 Å²	73.4	27%	0.266	38%	0.377	S	S	.	.			trans	-40	120.4	-177.6	-71.2	75.6	-173.2	0	0	112	C62 E68 V70 P91 K92	C62-E64 WeakPolarHBondContact CA-OE2 3.11Å; C62-E64 WeakPolarHBondContact CB-OE2 3.46Å; E64-E68 WeakPolarHBondContact CA-OE2 3.4Å; E64-E68 HydrophobicContact CB-CB 4.02Å; E64-E68 HydrophobicContact CG-CB 4.4Å; E64-V70 HydrophobicContact CG-CG2 3.77Å; E64-P91 HydrophobicContact CB-CG 4.11Å; E64-K92 WeakPolarHBondContact O-CD 3.44Å; E64-K92 WeakPolarHBondContact O-CE 3.48Å; E64-K92 WeakPolarHBondContact O-CG 3.29Å; E64-K92 PolarHBondContact O-NZ 3.48Å
65	E	90.2	Very high	93.5	Very high	112 Å²	112	72.7 Å²	72.7	52%	0.523	38%	0.375	S	S	.	.			trans	-77.6	175.1	176.6	-63.1	-56.1	158.4	0	0	112.7	R63 G67 E68 K92	R63-E65 PolarHBondContact O-N 2.83Å; E65-G67 PolarHBondContact O-N 3.05Å; E65-E68 HydrophobicContact CB-CG 4.3Å; E65-E68 PolarHBondContact N-OE2 3.01Å; E65-E68 WeakPolarHBondContact O-CB 3.41Å; E65-E68 PolarHBondContact O-N 3.13Å; E65-K92 IonicContact OE1-NZ 3.83Å; E65-K92 PolarHBondContact OE1-NZ 2.73Å; E65-K92 IonicContact OE2-NZ 3.02Å; E65-K92 PolarHBondContact OE2-NZ 3.34Å
66	M	92.6	Very high	93.2	Very high	75 Å²	75	71.4 Å²	71.4	37%	0.369	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	130.2	175.7	-175.3	-167.7	-58.3	0	0	110.6	E68 E96 R99	M66-E68 PolarHBondContact O-N 2.97Å; M66-E96 WeakPolarHBondContact CE-OE2 3.49Å; M66-E96 HydrophobicContact SD-CB 4.41Å; M66-E96 PolarHBondContact SD-N 3.12Å; M66-E96 VanDerWaalsContact SD-N 3.4Å; M66-R99 HydrophobicContact CE-CB 3.53Å
67	G	90.8	Very high	92.7	Very high	34 Å²	34	72.8 Å²	72.8	35%	0.351	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	-15.4	-175.1	0	0	0	0	0	115.4	E65 N90 G93 L94	E65-G67 PolarHBondContact O-N 3.05Å; G67-N90 VanDerWaalsContact C-ND2 3.33Å; G67-N90 PolarHBondContact O-ND2 3.46Å; G67-N90 VanDerWaalsContact O-ND2 3.12Å; G67-G93 PolarHBondContact N-O 3.43Å; G67-L94 VanDerWaalsContact CA-O 3.28Å; G67-L94 WeakPolarHBondContact CA-O 3.33Å
68	E	94.9	Very high	91.8	Very high	105 Å²	105	71.4 Å²	71.4	49%	0.491	37%	0.373	S	S	.	.			trans	-74.1	146.1	172.4	-60.1	-164.4	133.1	0	0	111	E64 E65 M66 N90	E64-E68 WeakPolarHBondContact CA-OE2 3.4Å; E64-E68 HydrophobicContact CB-CB 4.02Å; E64-E68 HydrophobicContact CG-CB 4.4Å; E65-E68 HydrophobicContact CB-CG 4.3Å; E65-E68 PolarHBondContact N-OE2 3.01Å; E65-E68 WeakPolarHBondContact O-CB 3.41Å; E65-E68 PolarHBondContact O-N 3.13Å; M66-E68 PolarHBondContact O-N 2.97Å; E68-N90 PolarHBondContact O-ND2 3.3Å
69	V	95.4	Very high	90.9	Very high	52 Å²	52	72.6 Å²	72.6	32%	0.315	39%	0.386	S	S	.	.			trans	-128	121.2	-163.9	60.8	0	0	0	0	113.3	K71 R88 I89	V69-K71 HydrophobicContact CG2-CG 4.14Å; V69-R88 HydrophobicContact CG2-CB 3.65Å; V69-R88 HydrophobicContact CG2-CG 3.88Å; V69-I89 CarbonylContact C-O 3.52Å; V69-I89 WeakPolarHBondContact CA-O 3.13Å
70	V	96.2	Very high	89.9	Confident	27 Å²	27	79.4 Å²	79.4	16%	0.164	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	135.2	165	-165	0	0	0	0	108.3	W54 I56 E64 R88 I89 P91	W54-V70 HydrophobicContact CH2-CB 4.22Å; W54-V70 HydrophobicContact CH2-CG1 3.95Å; W54-V70 HydrophobicContact CZ2-CG1 3.78Å; I56-V70 HydrophobicContact CD1-CG1 4.18Å; E64-V70 HydrophobicContact CG-CG2 3.77Å; V70-R88 WeakPolarHBondContact O-CA 3.18Å; V70-I89 PolarHBondContact N-O 2.83Å; V70-I89 PolarHBondContact O-N 2.82Å; V70-P91 HydrophobicContact CG2-CG 3.89Å
71	K	97.1	Very high	89.5	Confident	110 Å²	110	78.2 Å²	78.2	48%	0.478	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	143.1	178	-60.5	-163.7	178.8	-167.3	0	112.2	V69 L87 R88	V69-K71 HydrophobicContact CG2-CG 4.14Å; K71-L87 WeakPolarHBondContact CA-O 3.35Å; K71-R88 HydrophobicContact CD-CG 4.35Å; K71-R88 HydrophobicContact CG-CG 4.22Å
72	S	97.4	Very high	89.3	Confident	9 Å²	9	76.2 Å²	76.2	6%	0.063	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-74.5	166.5	170	80.4	0	0	0	0	111.6	L87	S72-L87 PolarHBondContact N-O 2.88Å; S72-L87 PolarHBondContact OG-N 3.09Å
73	S	96.3	Very high	89.6	Confident	90 Å²	90	75.6 Å²	75.6	63%	0.629	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-61.1	158.2	160.7	-50.4	0	0	0	0	110.9	Y52	Y52-S73 PolarHBondContact OH-O 3.26Å
74	F	94.7	Very high	90	Very high	139 Å²	139	68.1 Å²	68.1	61%	0.61	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-71.2	144	176.3	-52	-58.9	0	0	0	112	W85 C86 V109	F74-W85 CarbonylContact C-O 3Å; F74-W85 VanDerWaalsContact CA-O 3.23Å; F74-W85 WeakPolarHBondContact CA-O 3.41Å; F74-C86 HydrophobicContact CD1-CB 3.93Å; F74-C86 HydrophobicContact CE1-CB 4.36Å; F74-V109 HydrophobicContact CD1-CB 4.39Å; F74-V109 HydrophobicContact CD1-CG1 4.22Å; F74-V109 HydrophobicContact CD1-CG2 3.93Å; F74-V109 HydrophobicContact CE1-CB 4.34Å; F74-V109 HydrophobicContact CE1-CG1 3.8Å; F74-V109 HydrophobicContact CE1-CG2 3.86Å; F74-V109 HydrophobicContact CZ-CG1 4.37Å
75	F	95.1	Very high	90.4	Very high	19 Å²	19	65.4 Å²	65.4	8%	0.083	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-138.2	164	174.8	61.1	-85.2	0	0	0	112.2	M50 Y52 W85 L87 L106 V180	M50-F75 HydrophobicContact CE-CD2 3.91Å; M50-F75 HydrophobicContact CE-CE2 3.72Å; M50-F75 HydrophobicContact SD-CD2 3.96Å; M50-F75 HydrophobicContact SD-CE2 4.26Å; Y52-F75 AromaticContact CD1-CD1 3.56Å; Y52-F75 HydrophobicContact CD1-CD1 3.56Å; Y52-F75 AromaticContact CD1-CE1 3.4Å; Y52-F75 HydrophobicContact CD1-CE1 3.4Å; Y52-F75 HydrophobicContact CD1-CE2 4.37Å; Y52-F75 HydrophobicContact CD1-CG 4.14Å; Y52-F75 AromaticContact CD1-CZ 3.84Å; Y52-F75 HydrophobicContact CD1-CZ 3.84Å; Y52-F75 HydrophobicContact CD2-CB 3.69Å; Y52-F75 AromaticContact CD2-CD1 3.77Å; Y52-F75 HydrophobicContact CD2-CD1 3.77Å; Y52-F75 HydrophobicContact CD2-CD2 4.17Å; Y52-F75 HydrophobicContact CD2-CE1 4.4Å; Y52-F75 AromaticContact CD2-CG 3.63Å; Y52-F75 HydrophobicContact CD2-CG 3.63Å; Y52-F75 AromaticContact CE1-CD1 3.6Å; Y52-F75 HydrophobicContact CE1-CD1 3.6Å; Y52-F75 AromaticContact CE1-CE1 3.64Å; Y52-F75 HydrophobicContact CE1-CE1 3.64Å; Y52-F75 HydrophobicContact CE1-CG 4.44Å; Y52-F75 HydrophobicContact CE2-CB 3.84Å; Y52-F75 AromaticContact CE2-CD1 3.81Å; Y52-F75 HydrophobicContact CE2-CD1 3.81Å; Y52-F75 AromaticContact CE2-CG 3.99Å; Y52-F75 HydrophobicContact CE2-CG 3.99Å; Y52-F75 HydrophobicContact CG-CB 4.3Å; Y52-F75 AromaticContact CG-CD1 3.64Å; Y52-F75 HydrophobicContact CG-CD1 3.64Å; Y52-F75 AromaticContact CG-CD2 3.95Å; Y52-F75 HydrophobicContact CG-CD2 3.95Å; Y52-F75 AromaticContact CG-CE1 3.81Å; Y52-F75 HydrophobicContact CG-CE1 3.81Å; Y52-F75 HydrophobicContact CG-CE2 4.1Å; Y52-F75 AromaticContact CG-CG 3.71Å; Y52-F75 HydrophobicContact CG-CG 3.71Å; Y52-F75 HydrophobicContact CG-CZ 4.04Å; Y52-F75 AromaticContact CZ-CD1 3.73Å; F75-W85 HydrophobicContact CD1-CB 4.47Å; F75-W85 WeakPolarHBondContact CD1-O 3.47Å; F75-W85 HydrophobicContact CD2-CB 4.14Å; F75-W85 HydrophobicContact CE1-CB 4.22Å; F75-W85 HydrophobicContact CE2-CB 3.87Å; F75-W85 HydrophobicContact CG-CB 4.44Å; F75-W85 HydrophobicContact CZ-CB 3.91Å; F75-W85 PolarHBondContact N-O 2.86Å; F75-W85 PolarHBondContact O-N 3.29Å; F75-L87 HydrophobicContact CE1-CG 4.21Å; F75-L87 HydrophobicContact CZ-CG 4.44Å; F75-L106 HydrophobicContact CE2-CD1 4.49Å; F75-L106 HydrophobicContact CZ-CD1 3.79Å; F75-V180 HydrophobicContact CE2-CG2 4.34Å
76	S	92.9	Very high	90.7	Very high	31 Å²	31	60.2 Å²	60.2	22%	0.217	33%	0.333	C	S	.	.			trans	-156.6	164.9	179.8	56.6	0	0	0	0	110	G78 L83 K84	S76-G78 PolarHBondContact O-N 2.85Å; S76-G78 PolarHBondContact OG-O 3.02Å; S76-L83 WeakPolarHBondContact CB-O 3.34Å; S76-K84 PolarHBondContact OG-NZ 3.01Å
77	C	84.5	Confident	91	Very high	52 Å²	52	56.6 Å²	56.6	35%	0.351	32%	0.316	S	S	.	.	S	Bend	trans	-71.6	-20	-174.7	-168.3	0	0	0	0	113.3	T48 M50 D81	T48-C77 HydrophobicContact CG2-CB 3.99Å; T48-C77 WeakPolarHBondContact CG2-SG 3.31Å; M50-C77 HydrophobicContact CB-CB 4.34Å; M50-C77 HydrophobicContact SD-CB 4.07Å; C77-D81 WeakPolarHBondContact CB-OD2 3.19Å; C77-D81 PolarHBondContact N-OD2 3.24Å
78	G	77.5	Confident	91.3	Very high	25 Å²	25	57.6 Å²	57.6	26%	0.258	31%	0.309	S	S	.	.	S	Bend	trans	-155.6	176.6	172.1	0	0	0	0	0	111.9	S76 D81	S76-G78 PolarHBondContact O-N 2.85Å; S76-G78 PolarHBondContact OG-O 3.02Å; G78-D81 WeakPolarHBondContact O-CB 3.3Å; G78-D81 PolarHBondContact O-N 2.92Å
79	P	73.9	Confident	91.4	Very high	122 Å²	122	52.6 Å²	52.6	79%	0.792	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-42.8	178.5	24.4	-32.7	0	0	0	111.9	D81	P79-D81 VanDerWaalsContact C-N 3.33Å
80	N	74.2	Confident	91.5	Very high	144 Å²	144	50.1 Å²	50.1	77%	0.77	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	3	-177.8	-60.3	14.8	0	0	0	113.3	K82	N80-K82 PolarHBondContact O-N 3.01Å
81	D	84.1	Confident	91.5	Very high	43 Å²	43	49.1 Å²	49.1	23%	0.23	27%	0.265	C	S	.	.			trans	-69.2	127.2	174.6	179.1	9.6	0	0	0	109.3	C77 G78 P79 L83 K84	C77-D81 WeakPolarHBondContact CB-OD2 3.19Å; C77-D81 PolarHBondContact N-OD2 3.24Å; G78-D81 WeakPolarHBondContact O-CB 3.3Å; G78-D81 PolarHBondContact O-N 2.92Å; P79-D81 VanDerWaalsContact C-N 3.33Å; D81-L83 WeakPolarHBondContact OD1-CB 3.48Å; D81-L83 PolarHBondContact OD1-N 3.02Å; D81-K84 WeakPolarHBondContact O-CE 3.33Å; D81-K84 PolarHBondContact O-NZ 2.95Å
82	K	87.5	Confident	91.4	Very high	110 Å²	110	46 Å²	46	48%	0.478	25%	0.251	S	S	.	.			trans	-76.3	-25.9	179.1	-58.1	-170.8	-175.6	-175.6	0	112.2	N80 K84 T113	N80-K82 PolarHBondContact O-N 3.01Å; K82-K84 PolarHBondContact O-N 2.85Å; K82-T113 HydrophobicContact CD-CG2 4.47Å; K82-T113 PolarHBondContact NZ-OG1 3.14Å
83	L	91.8	Very high	91.3	Very high	16 Å²	16	45.6 Å²	45.6	8%	0.084	25%	0.248	C	C	.	.			trans	-70.8	124	179.7	-57.1	-178.5	0	0	0	109.3	S76 D81 W85 L108 N110 C111 A117 V182	S76-L83 WeakPolarHBondContact CB-O 3.34Å; D81-L83 WeakPolarHBondContact OD1-CB 3.48Å; D81-L83 PolarHBondContact OD1-N 3.02Å; L83-W85 HydrophobicContact CD1-CZ2 4.29Å; L83-L108 HydrophobicContact CB-CD1 4.38Å; L83-L108 HydrophobicContact CD2-CD1 4.39Å; L83-N110 WeakPolarHBondContact CA-O 3.47Å; L83-C111 WeakPolarHBondContact CD2-O 3.38Å; L83-A117 HydrophobicContact CD1-CB 3.92Å; L83-A117 HydrophobicContact CD2-CB 4.13Å; L83-V182 HydrophobicContact CD1-CG1 3.89Å
84	K	94.2	Very high	91.3	Very high	59 Å²	59	44.2 Å²	44.2	26%	0.257	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.7	177	-56.7	-65.2	156.3	-169.7	0	109.7	S76 D81 K82 V109 N110	S76-K84 PolarHBondContact OG-NZ 3.01Å; D81-K84 WeakPolarHBondContact O-CE 3.33Å; D81-K84 PolarHBondContact O-NZ 2.95Å; K82-K84 PolarHBondContact O-N 2.85Å; K84-V109 HydrophobicContact CB-CB 4.47Å; K84-V109 WeakPolarHBondContact O-CA 3.44Å; K84-V109 WeakPolarHBondContact O-CB 3.49Å; K84-V109 PolarHBondContact O-N 3.24Å; K84-N110 HydrophobicContact CB-CB 3.99Å; K84-N110 HydrophobicContact CG-CB 4.1Å; K84-N110 PolarHBondContact N-O 3.14Å; K84-N110 VanDerWaalsContact N-O 3.08Å; K84-N110 PolarHBondContact O-N 3.26Å
85	W	96.7	Very high	91.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	152.5	-172	-55.9	83.1	0	0	0	110.6	M50 F74 F75 L83 L106 L107 L108 A117 A119 F144 V182	M50-W85 HydrophobicContact CE-CD2 4.27Å; M50-W85 HydrophobicContact CE-CG 3.89Å; F74-W85 CarbonylContact C-O 3Å; F74-W85 VanDerWaalsContact CA-O 3.23Å; F74-W85 WeakPolarHBondContact CA-O 3.41Å; F75-W85 HydrophobicContact CD1-CB 4.47Å; F75-W85 WeakPolarHBondContact CD1-O 3.47Å; F75-W85 HydrophobicContact CD2-CB 4.14Å; F75-W85 HydrophobicContact CE1-CB 4.22Å; F75-W85 HydrophobicContact CE2-CB 3.87Å; F75-W85 HydrophobicContact CG-CB 4.44Å; F75-W85 HydrophobicContact CZ-CB 3.91Å; F75-W85 PolarHBondContact N-O 2.86Å; F75-W85 PolarHBondContact O-N 3.29Å; L83-W85 HydrophobicContact CD1-CZ2 4.29Å; W85-L106 HydrophobicContact CB-CD1 4.13Å; W85-L106 HydrophobicContact CD2-CD1 4.48Å; W85-L106 HydrophobicContact CE3-CD1 3.85Å; W85-L106 HydrophobicContact CE3-CD2 3.86Å; W85-L106 HydrophobicContact CE3-CG 3.73Å; W85-L106 HydrophobicContact CZ3-CD2 3.89Å; W85-L106 HydrophobicContact CZ3-CG 4.1Å; W85-L107 VanDerWaalsContact CA-O 3.27Å; W85-L107 WeakPolarHBondContact CA-O 3.49Å; W85-L108 HydrophobicContact CD2-CD1 3.89Å; W85-L108 HydrophobicContact CE3-CB 4.16Å; W85-L108 HydrophobicContact CE3-CD1 4.06Å; W85-L108 HydrophobicContact CH2-CD1 4.03Å; W85-L108 HydrophobicContact CZ2-CD1 3.83Å; W85-L108 HydrophobicContact CZ3-CB 4.03Å; W85-L108 HydrophobicContact CZ3-CD1 4.14Å; W85-A117 HydrophobicContact CH2-CB 4.48Å; W85-A117 HydrophobicContact CZ2-CB 4.4Å; W85-A119 HydrophobicContact CH2-CB 3.78Å; W85-A119 HydrophobicContact CZ2-CB 4.39Å; W85-F144 HydrophobicContact CH2-CB 4.25Å; W85-F144 HydrophobicContact CH2-CD1 4.35Å; W85-F144 AromaticContact CH2-CD2 3.96Å; W85-F144 HydrophobicContact CH2-CD2 3.96Å; W85-F144 HydrophobicContact CH2-CE2 4.4Å; W85-F144 AromaticContact CH2-CG 3.93Å; W85-F144 HydrophobicContact CH2-CG 3.93Å; W85-F144 HydrophobicContact CZ3-CB 4.29Å; W85-F144 AromaticContact CZ3-CD1 3.64Å; W85-F144 HydrophobicContact CZ3-CD1 3.64Å; W85-F144 AromaticContact CZ3-CD2 3.97Å; W85-F144 HydrophobicContact CZ3-CD2 3.97Å; W85-F144 AromaticContact CZ3-CE1 3.85Å; W85-F144 HydrophobicContact CZ3-CE1 3.85Å; W85-F144 HydrophobicContact CZ3-CE2 4.18Å; W85-F144 AromaticContact CZ3-CG 3.7Å; W85-F144 HydrophobicContact CZ3-CG 3.7Å; W85-F144 HydrophobicContact CZ3-CZ 4.11Å; W85-V182 HydrophobicContact CZ2-CG2 3.91Å
86	C	97	Very high	91.3	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.014	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	162.2	161.2	64.5	0	0	0	0	111.7	F74 L107 V109	F74-C86 HydrophobicContact CD1-CB 3.93Å; F74-C86 HydrophobicContact CE1-CB 4.36Å; C86-L107 PolarHBondContact N-O 3Å; C86-L107 PolarHBondContact O-N 3.47Å; C86-V109 HydrophobicContact CB-CG2 4.43Å; C86-V109 VanDerWaalsContact SG-CG2 3.6Å
87	L	98.3	Very high	91.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	147.7	170.6	-61.9	175.1	0	0	0	110.4	Y52 W54 K71 S72 F75 L104 Y105 L106 F123 I176 C178	Y52-L87 HydrophobicContact CD1-CD1 4Å; Y52-L87 HydrophobicContact CD1-CG 4.46Å; Y52-L87 HydrophobicContact CE1-CD1 4.2Å; W54-L87 HydrophobicContact CB-CD1 4.39Å; W54-L87 HydrophobicContact CE3-CB 3.74Å; W54-L87 HydrophobicContact CE3-CD1 3.85Å; W54-L87 HydrophobicContact CE3-CG 4.44Å; W54-L87 HydrophobicContact CZ3-CB 3.73Å; K71-L87 WeakPolarHBondContact CA-O 3.35Å; S72-L87 PolarHBondContact N-O 2.88Å; S72-L87 PolarHBondContact OG-N 3.09Å; F75-L87 HydrophobicContact CE1-CG 4.21Å; F75-L87 HydrophobicContact CZ-CG 4.44Å; L87-L104 HydrophobicContact CB-CD1 4.43Å; L87-L104 HydrophobicContact CD2-CD1 4.45Å; L87-Y105 CarbonylContact C-O 3.58Å; L87-Y105 WeakPolarHBondContact CA-O 3.41Å; L87-L106 HydrophobicContact CD2-CB 4.38Å; L87-L106 HydrophobicContact CD2-CD1 4.08Å; L87-F123 HydrophobicContact CD2-CD1 4.35Å; L87-F123 HydrophobicContact CD2-CE1 3.73Å; L87-F123 HydrophobicContact CD2-CZ 4.38Å; L87-I176 HydrophobicContact CD1-CG2 4.2Å; L87-C178 HydrophobicContact CD1-CB 3.93Å; L87-C178 HydrophobicContact CD2-CB 4.06Å; L87-C178 HydrophobicContact CG-CB 4.5Å
88	R	97.8	Very high	91.9	Very high	55 Å²	55	45.2 Å²	45.2	21%	0.208	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.9	170.7	-71.4	172.9	65.6	172.5	-7.9	108.9	V69 V70 K71 L104 Y105 D149	V69-R88 HydrophobicContact CG2-CB 3.65Å; V69-R88 HydrophobicContact CG2-CG 3.88Å; V70-R88 WeakPolarHBondContact O-CA 3.18Å; K71-R88 HydrophobicContact CD-CG 4.35Å; K71-R88 HydrophobicContact CG-CG 4.22Å; R88-L104 WeakPolarHBondContact O-CA 3.45Å; R88-Y105 PolarHBondContact N-O 3.47Å; R88-Y105 PolarHBondContact O-N 2.76Å; R88-D149 WeakPolarHBondContact CD-OD2 3.21Å; R88-D149 IonicContact CZ-OD1 3.7Å; R88-D149 IonicContact CZ-OD2 3.33Å; R88-D149 IonicContact NE-OD2 2.76Å; R88-D149 IonicContact NH1-OD1 3.68Å; R88-D149 PolarHBondContact NH1-OD1 2.72Å; R88-D149 IonicContact NH1-OD2 3.74Å; R88-D149 PolarHBondContact NH1-OD2 2.94Å
89	I	97.6	Very high	92.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.2	172.7	-75.7	173.8	0	0	0	109.5	W54 I56 V69 V70 P91 L102 S103 L104 L174 I176	W54-I89 HydrophobicContact CE3-CD1 3.98Å; W54-I89 HydrophobicContact CH2-CB 4.38Å; W54-I89 HydrophobicContact CH2-CD1 4.07Å; W54-I89 HydrophobicContact CH2-CG1 4.3Å; W54-I89 HydrophobicContact CZ3-CB 4.31Å; W54-I89 HydrophobicContact CZ3-CD1 3.47Å; W54-I89 VanDerWaalsContact CZ3-CD1 3.47Å; W54-I89 HydrophobicContact CZ3-CG1 3.75Å; I56-I89 HydrophobicContact CD1-CD1 4.01Å; V69-I89 CarbonylContact C-O 3.52Å; V69-I89 WeakPolarHBondContact CA-O 3.13Å; V70-I89 PolarHBondContact N-O 2.83Å; V70-I89 PolarHBondContact O-N 2.82Å; I89-P91 HydrophobicContact CG2-CG 4.05Å; I89-L102 HydrophobicContact CG1-CD2 4.29Å; I89-L102 HydrophobicContact CG2-CD1 4.04Å; I89-L102 HydrophobicContact CG2-CD2 3.91Å; I89-L102 HydrophobicContact CG2-CG 3.91Å; I89-S103 WeakPolarHBondContact CA-O 3.33Å; I89-L104 HydrophobicContact CD1-CD1 4.12Å; I89-L104 HydrophobicContact CG1-CB 4.47Å; I89-L104 HydrophobicContact CG1-CD1 3.54Å; I89-L174 HydrophobicContact CD1-CD2 4.34Å; I89-I176 HydrophobicContact CD1-CG1 4.04Å
90	N	97.3	Very high	93.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	100.1	167.6	-65.5	95.1	0	0	0	108.6	G67 E68 K92 G93 S103	G67-N90 VanDerWaalsContact C-ND2 3.33Å; G67-N90 PolarHBondContact O-ND2 3.46Å; G67-N90 VanDerWaalsContact O-ND2 3.12Å; E68-N90 PolarHBondContact O-ND2 3.3Å; N90-K92 VanDerWaalsContact C-N 3.26Å; N90-K92 PolarHBondContact O-N 3.18Å; N90-G93 PolarHBondContact O-N 2.81Å; N90-S103 PolarHBondContact N-O 3.21Å; N90-S103 PolarHBondContact O-N 3.15Å
91	P	96	Very high	94.9	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.039	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-17.4	-170.4	-23.5	35	0	0	0	116	F59 C62 E64 V70 I89 R158	F59-P91 HydrophobicContact CE2-CB 4.29Å; F59-P91 HydrophobicContact CE2-CG 4.47Å; F59-P91 HydrophobicContact CZ-CB 4.05Å; C62-P91 HydrophobicContact CB-CB 4.12Å; C62-P91 HydrophobicContact CB-CG 4.15Å; E64-P91 HydrophobicContact CB-CG 4.11Å; V70-P91 HydrophobicContact CG2-CG 3.89Å; I89-P91 HydrophobicContact CG2-CG 4.05Å; P91-R158 WeakPolarHBondContact O-CD 3.11Å; P91-R158 PolarHBondContact O-NE 2.71Å
92	K	95	Very high	95.5	Very high	44 Å²	44	40.6 Å²	40.6	19%	0.191	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.8	31.9	-179.9	-55.7	-176.4	-160.1	153	0	111.9	R63 E64 E65 N90 R99	R63-K92 PolarHBondContact O-NZ 3.22Å; E64-K92 WeakPolarHBondContact O-CD 3.44Å; E64-K92 WeakPolarHBondContact O-CE 3.48Å; E64-K92 WeakPolarHBondContact O-CG 3.29Å; E64-K92 PolarHBondContact O-NZ 3.48Å; E65-K92 IonicContact OE1-NZ 3.83Å; E65-K92 PolarHBondContact OE1-NZ 2.73Å; E65-K92 IonicContact OE2-NZ 3.02Å; E65-K92 PolarHBondContact OE2-NZ 3.34Å; N90-K92 VanDerWaalsContact C-N 3.26Å; N90-K92 PolarHBondContact O-N 3.18Å; K92-R99 WeakPolarHBondContact O-CA 3.33Å
93	G	95.1	Very high	96	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.16	C	C	.	.			trans	80.6	158.3	-174.3	0	0	0	0	0	113.6	G67 N90 S98 Y101	G67-G93 PolarHBondContact N-O 3.43Å; N90-G93 PolarHBondContact O-N 2.81Å; G93-S98 VanDerWaalsContact CA-O 3.26Å; G93-S98 WeakPolarHBondContact CA-O 3.03Å; G93-Y101 WeakPolarHBondContact CA-O 3.4Å; G93-Y101 PolarHBondContact N-O 3.08Å
94	L	95.2	Very high	96.3	Very high	62 Å²	62	34.6 Å²	34.6	33%	0.325	16%	0.156	S	C	.	.	S	Bend	trans	-78.2	-32	172.7	-179.7	63.2	0	0	0	111.8	G67 S98 S103 Y105	G67-L94 VanDerWaalsContact CA-O 3.28Å; G67-L94 WeakPolarHBondContact CA-O 3.33Å; L94-S98 PolarHBondContact N-OG 2.59Å; L94-S103 PolarHBondContact N-OG 2.86Å; L94-Y105 HydrophobicContact CD2-CE2 4.18Å; L94-Y105 WeakPolarHBondContact CD2-OH 3.21Å
95	D	95.6	Very high	96.5	Very high	53 Å²	53	33.2 Å²	33.2	28%	0.283	15%	0.149	S	C	.	.	S	Bend	trans	-153.3	178.7	-174.8	69.3	-10.2	0	0	0	111.6	E97 S98 R99 K153	D95-E97 PolarHBondContact O-N 2.71Å; D95-E97 PolarHBondContact OD1-N 3.4Å; D95-S98 PolarHBondContact N-OG 3.21Å; D95-S98 CarbonylContact O-C 3.55Å; D95-S98 PolarHBondContact O-N 3.34Å; D95-S98 VanDerWaalsContact O-N 3.08Å; D95-S98 PolarHBondContact O-OG 3.22Å; D95-S98 WeakPolarHBondContact OD1-CB 3.43Å; D95-S98 PolarHBondContact OD1-N 3.12Å; D95-S98 PolarHBondContact OD1-OG 2.97Å; D95-R99 PolarHBondContact O-N 2.83Å; D95-K153 WeakPolarHBondContact OD1-CE 3.39Å; D95-K153 IonicContact OD1-NZ 3.26Å; D95-K153 WeakPolarHBondContact OD2-CE 3.34Å; D95-K153 IonicContact OD2-NZ 3.85Å; D95-K153 PolarHBondContact OD2-NZ 2.9Å
96	E	95.4	Very high	96.6	Very high	114 Å²	114	33.2 Å²	33.2	53%	0.533	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-30	-178.7	-174.4	67.4	-150.4	0	0	112.3	M66 S98 R99	M66-E96 WeakPolarHBondContact CE-OE2 3.49Å; M66-E96 HydrophobicContact SD-CB 4.41Å; M66-E96 PolarHBondContact SD-N 3.12Å; M66-E96 VanDerWaalsContact SD-N 3.4Å; E96-S98 VanDerWaalsContact C-N 3.32Å; E96-S98 PolarHBondContact O-N 2.95Å; E96-R99 VanDerWaalsContact O-CD 3.27Å; E96-R99 WeakPolarHBondContact O-CD 3.39Å; E96-R99 VanDerWaalsContact O-CG 3.29Å; E96-R99 WeakPolarHBondContact O-CG 3.48Å; E96-R99 WeakPolarHBondContact OE1-CD 3.25Å; E96-R99 IonicContact OE1-CZ 3.18Å; E96-R99 IonicContact OE1-NE 2.62Å; E96-R99 IonicContact OE1-NH1 3.08Å; E96-R99 PolarHBondContact OE1-NH1 2.91Å
97	E	94.7	Very high	96.6	Very high	95 Å²	95	33.9 Å²	33.9	44%	0.444	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-30.1	176.8	-155.2	-139.7	155.6	0	0	112.3	D95 K153 K154	D95-E97 PolarHBondContact O-N 2.71Å; D95-E97 PolarHBondContact OD1-N 3.4Å; E97-K153 WeakPolarHBondContact OE2-CE 3.28Å; E97-K153 IonicContact OE2-NZ 3.8Å; E97-K153 PolarHBondContact OE2-NZ 3.42Å; E97-K154 WeakPolarHBondContact OE1-CE 3.33Å; E97-K154 IonicContact OE1-NZ 3.22Å; E97-K154 PolarHBondContact OE1-NZ 3.1Å; E97-K154 IonicContact OE2-NZ 3.28Å
98	S	96	Very high	96.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	2.7	-179.8	57.4	0	0	0	0	114.6	G93 L94 D95 E96 E100 Y101 K153	G93-S98 VanDerWaalsContact CA-O 3.26Å; G93-S98 WeakPolarHBondContact CA-O 3.03Å; L94-S98 PolarHBondContact N-OG 2.59Å; D95-S98 PolarHBondContact N-OG 3.21Å; D95-S98 CarbonylContact O-C 3.55Å; D95-S98 PolarHBondContact O-N 3.34Å; D95-S98 VanDerWaalsContact O-N 3.08Å; D95-S98 PolarHBondContact O-OG 3.22Å; D95-S98 WeakPolarHBondContact OD1-CB 3.43Å; D95-S98 PolarHBondContact OD1-N 3.12Å; D95-S98 PolarHBondContact OD1-OG 2.97Å; E96-S98 VanDerWaalsContact C-N 3.32Å; E96-S98 PolarHBondContact O-N 2.95Å; S98-E100 PolarHBondContact O-N 3.04Å; S98-Y101 WeakPolarHBondContact O-CA 3.4Å; S98-Y101 WeakPolarHBondContact O-CB 3.41Å; S98-Y101 PolarHBondContact O-N 3.27Å; S98-K153 WeakPolarHBondContact CB-O 3.25Å
99	R	94.5	Very high	96.4	Very high	110 Å²	110	33.3 Å²	33.3	42%	0.415	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-29.7	-177.1	75.9	-172.7	-160.1	158.2	10.8	115.9	M66 K92 D95 E96 Y101 R158	M66-R99 HydrophobicContact CE-CB 3.53Å; K92-R99 WeakPolarHBondContact O-CA 3.33Å; D95-R99 PolarHBondContact O-N 2.83Å; E96-R99 VanDerWaalsContact O-CD 3.27Å; E96-R99 WeakPolarHBondContact O-CD 3.39Å; E96-R99 VanDerWaalsContact O-CG 3.29Å; E96-R99 WeakPolarHBondContact O-CG 3.48Å; E96-R99 WeakPolarHBondContact OE1-CD 3.25Å; E96-R99 IonicContact OE1-CZ 3.18Å; E96-R99 IonicContact OE1-NE 2.62Å; E96-R99 IonicContact OE1-NH1 3.08Å; E96-R99 PolarHBondContact OE1-NH1 2.91Å; R99-Y101 VanDerWaalsContact C-N 3.31Å; R99-R158 WeakPolarHBondContact O-CD 3.47Å
100	E	95.9	Very high	96.1	Very high	79 Å²	79	36.2 Å²	36.2	37%	0.369	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	1.4	-178.2	-54	-167.3	-178.7	0	0	112.3	S98 R157 R158	S98-E100 PolarHBondContact O-N 3.04Å; E100-R157 CarbonylContact O-C 3.58Å; E100-R157 WeakPolarHBondContact O-CA 3.45Å; E100-R157 IonicContact OE2-NH2 3.05Å; E100-R158 WeakPolarHBondContact O-CB 3.33Å; E100-R158 WeakPolarHBondContact O-CG 3.41Å; E100-R158 PolarHBondContact O-N 2.72Å
101	Y	97.5	Very high	95.6	Very high	47 Å²	47	36.3 Å²	36.3	18%	0.184	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	157.6	-177.6	-61.5	-101.1	0	0	0	111.1	G93 S98 R99 K154 I156 R157 R158	G93-Y101 WeakPolarHBondContact CA-O 3.4Å; G93-Y101 PolarHBondContact N-O 3.08Å; S98-Y101 WeakPolarHBondContact O-CA 3.4Å; S98-Y101 WeakPolarHBondContact O-CB 3.41Å; S98-Y101 PolarHBondContact O-N 3.27Å; R99-Y101 VanDerWaalsContact C-N 3.31Å; Y101-K154 HydrophobicContact CD1-CB 3.64Å; Y101-K154 HydrophobicContact CD1-CG 4.33Å; Y101-K154 WeakPolarHBondContact CD1-O 3.4Å; Y101-K154 HydrophobicContact CD2-CB 4.36Å; Y101-K154 HydrophobicContact CD2-CG 4.16Å; Y101-K154 HydrophobicContact CE1-CB 3.9Å; Y101-K154 HydrophobicContact CE2-CG 4.36Å; Y101-K154 HydrophobicContact CG-CB 3.91Å; Y101-K154 HydrophobicContact CG-CG 4.17Å; Y101-I156 CarbonylContact C-O 3.58Å; Y101-I156 WeakPolarHBondContact CA-O 3.12Å; Y101-R157 HydrophobicContact CD1-CB 4.35Å; Y101-R157 HydrophobicContact CD1-CG 3.83Å; Y101-R157 HydrophobicContact CE1-CB 4.29Å; Y101-R157 HydrophobicContact CE1-CG 3.3Å; Y101-R158 VanDerWaalsContact C-CG 3.48Å; Y101-R158 WeakPolarHBondContact O-CD 3.07Å
102	L	97.3	Very high	95	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	126.2	158	-177.3	158.9	0	0	0	106.9	F59 I89 L104 F155 I156 L161 L174	F59-L102 HydrophobicContact CE1-CD1 4.31Å; F59-L102 HydrophobicContact CE2-CD1 4.22Å; F59-L102 HydrophobicContact CZ-CD1 3.57Å; I89-L102 HydrophobicContact CG1-CD2 4.29Å; I89-L102 HydrophobicContact CG2-CD1 4.04Å; I89-L102 HydrophobicContact CG2-CD2 3.91Å; I89-L102 HydrophobicContact CG2-CG 3.91Å; L102-L104 HydrophobicContact CD2-CB 4.08Å; L102-F155 HydrophobicContact CD2-CD1 4.15Å; L102-F155 WeakPolarHBondContact O-CB 3.36Å; L102-F155 PolarHBondContact O-N 3.32Å; L102-I156 HydrophobicContact CB-CG2 3.98Å; L102-I156 PolarHBondContact N-O 2.83Å; L102-I156 PolarHBondContact O-N 2.83Å; L102-L161 HydrophobicContact CB-CD2 4.27Å; L102-L161 HydrophobicContact CD1-CD2 3.56Å; L102-L174 HydrophobicContact CD1-CD2 3.56Å
103	S	98	Very high	94.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.2	174	-39.4	0	0	0	0	109.9	I89 N90 L94 K153	I89-S103 WeakPolarHBondContact CA-O 3.33Å; N90-S103 PolarHBondContact N-O 3.21Å; N90-S103 PolarHBondContact O-N 3.15Å; L94-S103 PolarHBondContact N-OG 2.86Å; S103-K153 VanDerWaalsContact CB-O 3.28Å; S103-K153 WeakPolarHBondContact CB-O 3.34Å; S103-K153 PolarHBondContact OG-O 3.43Å
104	L	98.2	Very high	93.5	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	125.7	-173.8	170.4	61.2	0	0	0	111.1	L87 R88 I89 L102 F123 G151 F152 F155 I176	L87-L104 HydrophobicContact CB-CD1 4.43Å; L87-L104 HydrophobicContact CD2-CD1 4.45Å; R88-L104 WeakPolarHBondContact O-CA 3.45Å; I89-L104 HydrophobicContact CD1-CD1 4.12Å; I89-L104 HydrophobicContact CG1-CB 4.47Å; I89-L104 HydrophobicContact CG1-CD1 3.54Å; L102-L104 HydrophobicContact CD2-CB 4.08Å; L104-F123 HydrophobicContact CB-CD2 4.36Å; L104-F123 HydrophobicContact CD2-CB 3.56Å; L104-F123 HydrophobicContact CD2-CD1 4.23Å; L104-F123 HydrophobicContact CD2-CD2 3.53Å; L104-F123 HydrophobicContact CD2-CE2 4.29Å; L104-F123 HydrophobicContact CD2-CG 3.51Å; L104-F123 HydrophobicContact CG-CB 4.49Å; L104-F123 HydrophobicContact CG-CD1 4.47Å; L104-F123 HydrophobicContact CG-CD2 3.54Å; L104-F123 HydrophobicContact CG-CE2 3.8Å; L104-F123 HydrophobicContact CG-CG 3.93Å; L104-F123 HydrophobicContact CG-CZ 4.37Å; L104-F123 WeakPolarHBondContact O-CE2 3.47Å; L104-G151 CarbonylContact O-C 3.49Å; L104-G151 WeakPolarHBondContact O-CA 3.41Å; L104-F152 PolarHBondContact N-O 3.2Å; L104-F152 PolarHBondContact O-N 3.03Å; L104-F155 HydrophobicContact CB-CB 4.03Å; L104-F155 HydrophobicContact CB-CD1 4.05Å; L104-F155 HydrophobicContact CB-CG 4.01Å; L104-F155 HydrophobicContact CD2-CD1 3.77Å; L104-F155 HydrophobicContact CD2-CD2 4.35Å; L104-F155 HydrophobicContact CD2-CE1 3.71Å; L104-F155 HydrophobicContact CD2-CE2 4.32Å; L104-F155 HydrophobicContact CD2-CG 4.1Å; L104-F155 HydrophobicContact CD2-CZ 4.01Å; L104-I176 HydrophobicContact CD2-CD1 4.27Å; L104-I176 HydrophobicContact CD2-CG1 4.47Å; L104-I176 HydrophobicContact CD2-CG2 3.98Å
105	Y	98.3	Very high	93	Very high	30 Å²	30	49 Å²	49	12%	0.118	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	151.4	-175.8	-62.4	-100.7	0	0	0	112.8	L87 R88 L94 D149 K153	L87-Y105 CarbonylContact C-O 3.58Å; L87-Y105 WeakPolarHBondContact CA-O 3.41Å; R88-Y105 PolarHBondContact N-O 3.47Å; R88-Y105 PolarHBondContact O-N 2.76Å; L94-Y105 HydrophobicContact CD2-CE2 4.18Å; L94-Y105 WeakPolarHBondContact CD2-OH 3.21Å; Y105-D149 HydrophobicContact CD1-CB 4.39Å; Y105-K153 WeakPolarHBondContact OH-CA 3.49Å
106	L	98.2	Very high	92.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.9	169.1	174.7	66.8	0	0	0	108.6	F75 W85 L87 F121 F123 F144 D149 W150 V180	F75-L106 HydrophobicContact CE2-CD1 4.49Å; F75-L106 HydrophobicContact CZ-CD1 3.79Å; W85-L106 HydrophobicContact CB-CD1 4.13Å; W85-L106 HydrophobicContact CD2-CD1 4.48Å; W85-L106 HydrophobicContact CE3-CD1 3.85Å; W85-L106 HydrophobicContact CE3-CD2 3.86Å; W85-L106 HydrophobicContact CE3-CG 3.73Å; W85-L106 HydrophobicContact CZ3-CD2 3.89Å; W85-L106 HydrophobicContact CZ3-CG 4.1Å; L87-L106 HydrophobicContact CD2-CB 4.38Å; L87-L106 HydrophobicContact CD2-CD1 4.08Å; L106-F121 HydrophobicContact CD2-CB 3.75Å; L106-F121 HydrophobicContact CD2-CD1 4.33Å; L106-F121 HydrophobicContact CD2-CG 4.17Å; L106-F123 HydrophobicContact CB-CE1 4.11Å; L106-F123 HydrophobicContact CB-CZ 3.83Å; L106-F144 HydrophobicContact CB-CE1 4.47Å; L106-F144 HydrophobicContact CD2-CE1 4.28Å; L106-F144 HydrophobicContact CD2-CZ 3.99Å; L106-F144 HydrophobicContact CG-CE1 4.23Å; L106-F144 HydrophobicContact CG-CZ 4.4Å; L106-F144 WeakPolarHBondContact O-CE1 3.4Å; L106-D149 WeakPolarHBondContact O-CA 3.46Å; L106-D149 VanDerWaalsContact O-CB 3.26Å; L106-D149 WeakPolarHBondContact O-CB 3.1Å; L106-W150 PolarHBondContact N-O 2.79Å; L106-W150 PolarHBondContact O-N 2.79Å; L106-V180 HydrophobicContact CD1-CG2 4.3Å; L106-V180 HydrophobicContact CD2-CG1 4.1Å; L106-V180 HydrophobicContact CD2-CG2 3.69Å
107	L	97.2	Very high	92.6	Very high	16 Å²	16	43.7 Å²	43.7	8%	0.084	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.2	-179.7	171.7	58.2	0	0	0	110.8	W85 C86 V109 G147 D149	W85-L107 VanDerWaalsContact CA-O 3.27Å; W85-L107 WeakPolarHBondContact CA-O 3.49Å; C86-L107 PolarHBondContact N-O 3Å; C86-L107 PolarHBondContact O-N 3.47Å; L107-V109 HydrophobicContact CD2-CG2 4.15Å; L107-V109 HydrophobicContact CG-CG2 3.99Å; L107-G147 VanDerWaalsContact CD1-C 3.5Å; L107-G147 WeakPolarHBondContact CD1-O 3.44Å; L107-D149 HydrophobicContact CB-CB 4.18Å; L107-D149 WeakPolarHBondContact CB-OD2 3.47Å; L107-D149 HydrophobicContact CD1-CB 4.37Å; L107-D149 WeakPolarHBondContact CD1-OD2 3.4Å
108	L	96.1	Very high	92.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	109.7	165.1	-176.8	66.9	0	0	0	109.9	L83 W85 N110 C111 A117 F144 G147 K148	L83-L108 HydrophobicContact CB-CD1 4.38Å; L83-L108 HydrophobicContact CD2-CD1 4.39Å; W85-L108 HydrophobicContact CD2-CD1 3.89Å; W85-L108 HydrophobicContact CE3-CB 4.16Å; W85-L108 HydrophobicContact CE3-CD1 4.06Å; W85-L108 HydrophobicContact CH2-CD1 4.03Å; W85-L108 HydrophobicContact CZ2-CD1 3.83Å; W85-L108 HydrophobicContact CZ3-CB 4.03Å; W85-L108 HydrophobicContact CZ3-CD1 4.14Å; L108-N110 WeakPolarHBondContact CD1-O 3.39Å; L108-C111 HydrophobicContact CD2-CB 4.09Å; L108-A117 HydrophobicContact CD2-CB 4.19Å; L108-F144 HydrophobicContact CB-CB 3.84Å; L108-F144 HydrophobicContact CB-CD1 4.13Å; L108-F144 HydrophobicContact CB-CG 4.37Å; L108-F144 HydrophobicContact CD2-CB 3.7Å; L108-F144 WeakPolarHBondContact CD2-O 3.37Å; L108-F144 HydrophobicContact CG-CB 4.38Å; L108-G147 PolarHBondContact O-N 3.22Å; L108-K148 PolarHBondContact N-O 2.62Å
109	V	94.5	Very high	92.6	Very high	43 Å²	43	45.5 Å²	45.5	26%	0.261	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-29.6	-175.1	-175.8	0	0	0	0	112.1	F74 K84 C86 L107 Q146	F74-V109 HydrophobicContact CD1-CB 4.39Å; F74-V109 HydrophobicContact CD1-CG1 4.22Å; F74-V109 HydrophobicContact CD1-CG2 3.93Å; F74-V109 HydrophobicContact CE1-CB 4.34Å; F74-V109 HydrophobicContact CE1-CG1 3.8Å; F74-V109 HydrophobicContact CE1-CG2 3.86Å; F74-V109 HydrophobicContact CZ-CG1 4.37Å; K84-V109 HydrophobicContact CB-CB 4.47Å; K84-V109 WeakPolarHBondContact O-CA 3.44Å; K84-V109 WeakPolarHBondContact O-CB 3.49Å; K84-V109 PolarHBondContact O-N 3.24Å; C86-V109 HydrophobicContact CB-CG2 4.43Å; C86-V109 VanDerWaalsContact SG-CG2 3.6Å; L107-V109 HydrophobicContact CD2-CG2 4.15Å; L107-V109 HydrophobicContact CG-CG2 3.99Å; V109-Q146 WeakPolarHBondContact O-CG 3.46Å; V109-Q146 PolarHBondContact O-NE2 3.02Å
110	N	91.8	Very high	92.8	Very high	60 Å²	60	43.5 Å²	43.5	32%	0.321	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	131.1	176.4	-171.9	0.6	0	0	0	110.1	L83 K84 L108 G112	L83-N110 WeakPolarHBondContact CA-O 3.47Å; K84-N110 HydrophobicContact CB-CB 3.99Å; K84-N110 HydrophobicContact CG-CB 4.1Å; K84-N110 PolarHBondContact N-O 3.14Å; K84-N110 VanDerWaalsContact N-O 3.08Å; K84-N110 PolarHBondContact O-N 3.26Å; L108-N110 WeakPolarHBondContact CD1-O 3.39Å; N110-G112 PolarHBondContact OD1-N 3.47Å
111	C	86.5	Confident	92.8	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.02	21%	0.211	C	C	.	.			trans	-97.5	-9.7	175.3	-151.9	0	0	0	0	113	L83 L108 T113 K114 S115 Q146	L83-C111 WeakPolarHBondContact CD2-O 3.38Å; L108-C111 HydrophobicContact CD2-CB 4.09Å; C111-T113 PolarHBondContact O-N 2.86Å; C111-K114 VanDerWaalsContact CB-O 3.3Å; C111-K114 WeakPolarHBondContact CB-O 3.37Å; C111-K114 PolarHBondContact O-N 3.43Å; C111-K114 PolarHBondContact SG-O 3.4Å; C111-S115 PolarHBondContact SG-O 3.34Å; C111-Q146 HydrophobicContact CB-CB 4.3Å
112	G	84	Confident	92.9	Very high	35 Å²	35	39.4 Å²	39.4	36%	0.361	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	-113.4	177.9	0	0	0	0	0	112.5	N110	N110-G112 PolarHBondContact OD1-N 3.47Å
113	T	79	Confident	92.9	Very high	116 Å²	116	39.3 Å²	39.3	71%	0.712	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.8	27.3	176.9	53.8	0	0	0	0	111.9	K82 C111	K82-T113 HydrophobicContact CD-CG2 4.47Å; K82-T113 PolarHBondContact NZ-OG1 3.14Å; C111-T113 PolarHBondContact O-N 2.86Å
114	K	79.5	Confident	92.9	Very high	122 Å²	122	39.3 Å²	39.3	53%	0.53	21%	0.209	S	C	.	.			trans	-118.1	153.4	168.8	-64.9	-171.5	176.5	-169.6	0	108.6	C111	C111-K114 VanDerWaalsContact CB-O 3.3Å; C111-K114 WeakPolarHBondContact CB-O 3.37Å; C111-K114 PolarHBondContact O-N 3.43Å; C111-K114 PolarHBondContact SG-O 3.4Å
115	S	84.6	Confident	92.9	Very high	106 Å²	106	39.4 Å²	39.4	74%	0.741	21%	0.209	S	C	*	.	S	Bend	trans	-74.4	-50	168.7	45.8	0	0	0	0	111.1	C111	C111-S115 PolarHBondContact SG-O 3.34Å
116	E	91.4	Very high	92.9	Very high	49 Å²	49	38.7 Å²	38.7	23%	0.229	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	159.9	179.6	64.1	166.9	-122.8	0	0	113.7	R118 R143 F144 V145	E116-R118 WeakPolarHBondContact OE1-CG 3.42Å; E116-R118 IonicContact OE1-CZ 2.76Å; E116-R118 IonicContact OE1-NE 3.65Å; E116-R118 PolarHBondContact OE1-NE 3.05Å; E116-R118 IonicContact OE1-NH2 2.7Å; E116-R118 PolarHBondContact OE1-NH2 2.84Å; E116-R118 VanDerWaalsContact OE1-NH2 3.16Å; E116-R118 IonicContact OE2-NH2 2.9Å; E116-R143 HydrophobicContact CB-CG 4.37Å; E116-R143 WeakPolarHBondContact OE2-CD 3.22Å; E116-R143 WeakPolarHBondContact OE2-CG 3.39Å; E116-F144 CarbonylContact C-O 3.57Å; E116-F144 WeakPolarHBondContact CA-O 3.39Å; E116-V145 HydrophobicContact CB-CG1 4.4Å
117	A	92.3	Very high	92.7	Very high	5 Å²	5	40 Å²	40	4%	0.041	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.7	161.5	0	0	0	0	0	109.4	L83 W85 L108 F144	L83-A117 HydrophobicContact CD1-CB 3.92Å; L83-A117 HydrophobicContact CD2-CB 4.13Å; W85-A117 HydrophobicContact CH2-CB 4.48Å; W85-A117 HydrophobicContact CZ2-CB 4.4Å; L108-A117 HydrophobicContact CD2-CB 4.19Å; A117-F144 PolarHBondContact N-O 3.26Å; A117-F144 WeakPolarHBondContact O-CB 3.22Å; A117-F144 PolarHBondContact O-N 2.9Å
118	R	94.8	Very high	92.5	Very high	134 Å²	134	42.8 Å²	42.8	51%	0.506	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	127.6	171.3	-63.7	-174.3	-171.5	-147.7	-8.9	109.6	E116 Y142 V183	E116-R118 WeakPolarHBondContact OE1-CG 3.42Å; E116-R118 IonicContact OE1-CZ 2.76Å; E116-R118 IonicContact OE1-NE 3.65Å; E116-R118 PolarHBondContact OE1-NE 3.05Å; E116-R118 IonicContact OE1-NH2 2.7Å; E116-R118 PolarHBondContact OE1-NH2 2.84Å; E116-R118 VanDerWaalsContact OE1-NH2 3.16Å; E116-R118 IonicContact OE2-NH2 2.9Å; R118-Y142 WeakPolarHBondContact CA-O 3.41Å; R118-V183 HydrophobicContact CB-CB 4.16Å; R118-V183 HydrophobicContact CB-CG2 4.12Å; R118-V183 PolarHBondContact O-N 3.47Å
119	A	95.7	Very high	92.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	137.6	-179.1	0	0	0	0	0	112.8	W85 A141 Y142 F144 V180 S181 V182	W85-A119 HydrophobicContact CH2-CB 3.78Å; W85-A119 HydrophobicContact CZ2-CB 4.39Å; A119-A141 CarbonylContact O-C 3.55Å; A119-A141 VanDerWaalsContact O-CA 3.27Å; A119-A141 WeakPolarHBondContact O-CA 3.29Å; A119-Y142 PolarHBondContact N-O 3.2Å; A119-Y142 VanDerWaalsContact N-O 3.12Å; A119-Y142 PolarHBondContact O-N 2.81Å; A119-F144 HydrophobicContact CB-CD2 4.02Å; A119-F144 HydrophobicContact CB-CE2 3.85Å; A119-V180 HydrophobicContact CB-CG1 3.89Å; A119-S181 WeakPolarHBondContact CA-O 3.46Å; A119-V182 HydrophobicContact CB-CG2 4.22Å
120	K	97.2	Very high	92.1	Very high	68 Å²	68	57.6 Å²	57.6	30%	0.296	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	137.5	164.7	-160.7	-176.8	-167.9	-161.5	0	108.4	E137 S138 A141 V180 S181	K120-E137 WeakPolarHBondContact CD-OE1 3.45Å; K120-E137 WeakPolarHBondContact CE-OE1 3.39Å; K120-E137 IonicContact NZ-OE1 3.36Å; K120-E137 PolarHBondContact NZ-OE1 3.43Å; K120-S138 WeakPolarHBondContact CA-OG 3.26Å; K120-S138 WeakPolarHBondContact CE-O 3.27Å; K120-S138 WeakPolarHBondContact CG-OG 3.04Å; K120-A141 HydrophobicContact CB-CB 4.23Å; K120-V180 WeakPolarHBondContact O-CA 3.45Å; K120-S181 PolarHBondContact N-O 2.89Å; K120-S181 PolarHBondContact O-N 3.4Å
121	F	97.9	Very high	92.2	Very high	3 Å²	3	59 Å²	59	1%	0.013	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	151.4	178.9	62.6	-93.5	0	0	0	112.3	L106 F123 E137 S138 Y142 F144 W150 F152 E179	L106-F121 HydrophobicContact CD2-CB 3.75Å; L106-F121 HydrophobicContact CD2-CD1 4.33Å; L106-F121 HydrophobicContact CD2-CG 4.17Å; F121-F123 HydrophobicContact CD2-CD2 4.38Å; F121-F123 AromaticContact CD2-CE1 3.89Å; F121-F123 HydrophobicContact CD2-CE1 3.89Å; F121-F123 AromaticContact CD2-CE2 3.73Å; F121-F123 HydrophobicContact CD2-CE2 3.73Å; F121-F123 AromaticContact CD2-CZ 3.44Å; F121-F123 HydrophobicContact CD2-CZ 3.44Å; F121-F123 VanDerWaalsContact CD2-CZ 3.44Å; F121-F123 HydrophobicContact CE2-CD2 4.45Å; F121-F123 AromaticContact CE2-CE2 3.66Å; F121-F123 HydrophobicContact CE2-CE2 3.66Å; F121-F123 AromaticContact CE2-CZ 3.75Å; F121-F123 HydrophobicContact CE2-CZ 3.75Å; F121-F123 HydrophobicContact CG-CZ 4.3Å; F121-E137 CarbonylContact O-C 3.25Å; F121-E137 WeakPolarHBondContact O-CA 3.47Å; F121-S138 PolarHBondContact N-OG 2.81Å; F121-S138 PolarHBondContact O-N 3.26Å; F121-S138 PolarHBondContact O-OG 3.42Å; F121-Y142 AromaticContact CE1-CD2 3.66Å; F121-Y142 HydrophobicContact CE1-CD2 3.66Å; F121-Y142 HydrophobicContact CE1-CE2 4.04Å; F121-Y142 HydrophobicContact CZ-CD2 4.31Å; F121-Y142 HydrophobicContact CZ-CE2 4.25Å; F121-F144 HydrophobicContact CD1-CE2 4.27Å; F121-F144 AromaticContact CD1-CZ 3.77Å; F121-F144 HydrophobicContact CD1-CZ 3.77Å; F121-F144 AromaticContact CE1-CZ 3.95Å; F121-F144 HydrophobicContact CE1-CZ 3.95Å; F121-W150 HydrophobicContact CE1-CB 3.54Å; F121-W150 HydrophobicContact CZ-CB 3.89Å; F121-F152 HydrophobicContact CD2-CE2 4.37Å; F121-F152 HydrophobicContact CE2-CD2 4.49Å; F121-F152 AromaticContact CE2-CE2 3.74Å; F121-F152 HydrophobicContact CE2-CE2 3.74Å; F121-F152 AromaticContact CE2-CZ 3.85Å; F121-F152 HydrophobicContact CE2-CZ 3.85Å; F121-E179 CarbonylContact C-O 3.55Å; F121-E179 VanDerWaalsContact CA-O 3.25Å; F121-E179 WeakPolarHBondContact CA-O 3.33Å
122	K	98.3	Very high	92.7	Very high	36 Å²	36	62.8 Å²	62.8	16%	0.157	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137	174.4	-179.8	-175.7	168.9	-157.1	0	109.1	E132 M136 E137 C178 E179	K122-E132 IonicContact NZ-OE2 3.16Å; K122-E132 PolarHBondContact NZ-OE2 2.93Å; K122-M136 CarbonylContact C-O 3.57Å; K122-M136 WeakPolarHBondContact CA-O 3.21Å; K122-E137 HydrophobicContact CB-CB 4.09Å; K122-E137 HydrophobicContact CB-CG 3.93Å; K122-E137 HydrophobicContact CG-CB 4.03Å; K122-E137 HydrophobicContact CG-CG 4.33Å; K122-C178 CarbonylContact O-C 3.39Å; K122-C178 VanDerWaalsContact O-CA 3.28Å; K122-C178 WeakPolarHBondContact O-CA 3.27Å; K122-E179 HydrophobicContact CB-CB 4.19Å; K122-E179 HydrophobicContact CB-CG 4.45Å; K122-E179 HydrophobicContact CD-CG 4.48Å; K122-E179 PolarHBondContact N-O 2.84Å; K122-E179 IonicContact NZ-OE1 2.9Å; K122-E179 PolarHBondContact NZ-OE1 2.99Å; K122-E179 PolarHBondContact O-N 3.3Å
123	F	98.5	Very high	93.2	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	149.6	167.8	-49.6	-43.5	0	0	0	109.9	L87 L104 L106 F121 A135 M136 F152 F155 L177 C178	L87-F123 HydrophobicContact CD2-CD1 4.35Å; L87-F123 HydrophobicContact CD2-CE1 3.73Å; L87-F123 HydrophobicContact CD2-CZ 4.38Å; L104-F123 HydrophobicContact CB-CD2 4.36Å; L104-F123 HydrophobicContact CD2-CB 3.56Å; L104-F123 HydrophobicContact CD2-CD1 4.23Å; L104-F123 HydrophobicContact CD2-CD2 3.53Å; L104-F123 HydrophobicContact CD2-CE2 4.29Å; L104-F123 HydrophobicContact CD2-CG 3.51Å; L104-F123 HydrophobicContact CG-CB 4.49Å; L104-F123 HydrophobicContact CG-CD1 4.47Å; L104-F123 HydrophobicContact CG-CD2 3.54Å; L104-F123 HydrophobicContact CG-CE2 3.8Å; L104-F123 HydrophobicContact CG-CG 3.93Å; L104-F123 HydrophobicContact CG-CZ 4.37Å; L104-F123 WeakPolarHBondContact O-CE2 3.47Å; L106-F123 HydrophobicContact CB-CE1 4.11Å; L106-F123 HydrophobicContact CB-CZ 3.83Å; F121-F123 HydrophobicContact CD2-CD2 4.38Å; F121-F123 AromaticContact CD2-CE1 3.89Å; F121-F123 HydrophobicContact CD2-CE1 3.89Å; F121-F123 AromaticContact CD2-CE2 3.73Å; F121-F123 HydrophobicContact CD2-CE2 3.73Å; F121-F123 AromaticContact CD2-CZ 3.44Å; F121-F123 HydrophobicContact CD2-CZ 3.44Å; F121-F123 VanDerWaalsContact CD2-CZ 3.44Å; F121-F123 HydrophobicContact CE2-CD2 4.45Å; F121-F123 AromaticContact CE2-CE2 3.66Å; F121-F123 HydrophobicContact CE2-CE2 3.66Å; F121-F123 AromaticContact CE2-CZ 3.75Å; F121-F123 HydrophobicContact CE2-CZ 3.75Å; F121-F123 HydrophobicContact CG-CZ 4.3Å; F123-A135 CarbonylContact O-C 3.3Å; F123-A135 WeakPolarHBondContact O-CA 2.92Å; F123-M136 PolarHBondContact N-O 2.96Å; F123-M136 PolarHBondContact O-N 2.85Å; F123-F152 AromaticContact CD2-CD2 3.68Å; F123-F152 HydrophobicContact CD2-CD2 3.68Å; F123-F152 AromaticContact CD2-CE2 3.75Å; F123-F152 HydrophobicContact CD2-CE2 3.75Å; F123-F152 AromaticContact CE2-CD2 3.97Å; F123-F152 HydrophobicContact CE2-CD2 3.97Å; F123-F152 HydrophobicContact CE2-CE2 4.05Å; F123-F155 HydrophobicContact CB-CD2 4.39Å; F123-F155 HydrophobicContact CB-CE2 3.66Å; F123-F155 HydrophobicContact CB-CZ 3.89Å; F123-F155 HydrophobicContact CD2-CD2 4.46Å; F123-L177 CarbonylContact C-O 3.6Å; F123-L177 WeakPolarHBondContact CA-O 3.38Å; F123-C178 HydrophobicContact CD1-CB 4.03Å; F123-C178 HydrophobicContact CE1-CB 4.36Å
124	S	98.1	Very high	94	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	153.9	175.4	55.7	0	0	0	0	110.6	I176 L177	S124-I176 WeakPolarHBondContact O-CA 3.47Å; S124-L177 PolarHBondContact N-O 2.72Å; S124-L177 PolarHBondContact O-N 2.81Å; S124-L177 PolarHBondContact OG-O 3.33Å
125	I	98.1	Very high	94.8	Very high	1 Å²	1	59 Å²	59	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.6	174.2	-56.8	179.3	0	0	0	108.5	T133 K134 F155 I156 L161 L168 L174 I176	I125-T133 PolarHBondContact N-O 2.81Å; I125-T133 PolarHBondContact O-N 2.86Å; I125-T133 PolarHBondContact O-OG1 2.86Å; I125-K134 HydrophobicContact CD1-CB 4.2Å; I125-K134 HydrophobicContact CG1-CB 4.44Å; I125-F155 HydrophobicContact CD1-CE1 4.24Å; I125-F155 HydrophobicContact CG1-CE1 4.05Å; I125-F155 HydrophobicContact CG1-CZ 4.31Å; I125-I156 HydrophobicContact CD1-CD1 3.65Å; I125-I156 HydrophobicContact CD1-CG2 4.3Å; I125-L161 HydrophobicContact CD1-CD1 3.93Å; I125-L168 HydrophobicContact CG2-CB 4.29Å; I125-L168 HydrophobicContact CG2-CD2 4.21Å; I125-L174 HydrophobicContact CD1-CD1 4.23Å; I125-L174 HydrophobicContact CG1-CD1 4.3Å; I125-L174 HydrophobicContact CG2-CD1 4.18Å; I125-I176 HydrophobicContact CG1-CD1 4.02Å
126	L	96.7	Very high	95.4	Very high	16 Å²	16	56.5 Å²	56.5	8%	0.084	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	116.9	174.6	-60.3	-171.4	0	0	0	110.3	V53 E131 E132 T175 L177	V53-L126 HydrophobicContact CG1-CD1 4.43Å; L126-E131 WeakPolarHBondContact CA-O 3.17Å; L126-E132 HydrophobicContact CD2-CG 3.92Å; L126-T175 HydrophobicContact CB-CG2 4.04Å; L126-T175 HydrophobicContact CD1-CG2 3.93Å; L126-T175 HydrophobicContact CG-CG2 4.19Å; L126-T175 PolarHBondContact N-O 3.34Å; L126-L177 HydrophobicContact CD1-CB 4.27Å; L126-L177 HydrophobicContact CD2-CB 3.95Å; L126-L177 HydrophobicContact CD2-CD2 4.2Å; L126-L177 HydrophobicContact CG-CB 4.04Å
127	N	94.1	Very high	95.7	Very high	27 Å²	27	58.7 Å²	58.7	14%	0.144	28%	0.282	C	S	.	.			trans	-73.4	-179.2	179.3	76.8	7.6	0	0	0	112.6	K129 R130 E131 T133	N127-K129 PolarHBondContact O-N 2.86Å; N127-K129 WeakPolarHBondContact OD1-CA 3.44Å; N127-K129 WeakPolarHBondContact OD1-CB 3.18Å; N127-K129 PolarHBondContact OD1-N 3.12Å; N127-R130 WeakPolarHBondContact O-CA 2.75Å; N127-R130 PolarHBondContact O-N 3.13Å; N127-R130 PolarHBondContact OD1-N 3.11Å; N127-E131 PolarHBondContact N-O 2.89Å; N127-E131 VanDerWaalsContact N-O 3.14Å; N127-E131 PolarHBondContact ND2-OE2 3.26Å; N127-E131 PolarHBondContact OD1-N 3.03Å; N127-T133 HydrophobicContact CB-CG2 3.99Å
128	A	92.6	Very high	95.9	Very high	75 Å²	75	58.4 Å²	58.4	62%	0.62	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-25.8	178.6	0	0	0	0	0	115.4	P170	A128-P170 HydrophobicContact CB-CB 3.95Å
129	K	92.5	Very high	95.9	Very high	148 Å²	148	58.8 Å²	58.8	64%	0.643	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-0.5	177.6	-56.2	162.7	178.3	171.7	0	113.5	N127 E131	N127-K129 PolarHBondContact O-N 2.86Å; N127-K129 WeakPolarHBondContact OD1-CA 3.44Å; N127-K129 WeakPolarHBondContact OD1-CB 3.18Å; N127-K129 PolarHBondContact OD1-N 3.12Å; K129-E131 VanDerWaalsContact C-N 3.31Å; K129-E131 HydrophobicContact CB-CG 4.05Å; K129-E131 HydrophobicContact CD-CG 4.26Å; K129-E131 WeakPolarHBondContact CD-OE1 3.29Å; K129-E131 WeakPolarHBondContact CD-OE2 3.35Å; K129-E131 IonicContact NZ-OE1 2.71Å; K129-E131 PolarHBondContact NZ-OE1 2.84Å; K129-E131 IonicContact NZ-OE2 2.58Å; K129-E131 PolarHBondContact NZ-OE2 2.72Å
130	R	91.5	Very high	95.8	Very high	205 Å²	205	63.7 Å²	63.7	77%	0.774	31%	0.306	S	S	*	.			trans	65.9	25.1	-169.6	-54.9	171.6	167.7	-98.4	-1.9	114.5	N127	N127-R130 WeakPolarHBondContact O-CA 2.75Å; N127-R130 PolarHBondContact O-N 3.13Å; N127-R130 PolarHBondContact OD1-N 3.11Å
131	E	94	Very high	95.7	Very high	90 Å²	90	62.3 Å²	62.3	42%	0.421	31%	0.307	S	S	.	.			trans	-76.8	142.7	168.2	-59.2	161.1	163.9	0	0	109.1	L126 N127 K129 T133	L126-E131 WeakPolarHBondContact CA-O 3.17Å; N127-E131 PolarHBondContact N-O 2.89Å; N127-E131 VanDerWaalsContact N-O 3.14Å; N127-E131 PolarHBondContact ND2-OE2 3.26Å; N127-E131 PolarHBondContact OD1-N 3.03Å; K129-E131 VanDerWaalsContact C-N 3.31Å; K129-E131 HydrophobicContact CB-CG 4.05Å; K129-E131 HydrophobicContact CD-CG 4.26Å; K129-E131 WeakPolarHBondContact CD-OE1 3.29Å; K129-E131 WeakPolarHBondContact CD-OE2 3.35Å; K129-E131 IonicContact NZ-OE1 2.71Å; K129-E131 PolarHBondContact NZ-OE1 2.84Å; K129-E131 IonicContact NZ-OE2 2.58Å; K129-E131 PolarHBondContact NZ-OE2 2.72Å; E131-T133 PolarHBondContact O-N 2.88Å
132	E	95.6	Very high	95.7	Very high	83 Å²	83	62.6 Å²	62.6	39%	0.388	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	122.3	174.4	-63.7	179.2	-164.7	0	0	109.8	K51 K122 L126 L177	K51-E132 IonicContact NZ-OE1 3.39Å; K51-E132 PolarHBondContact NZ-OE1 3.3Å; K51-E132 VanDerWaalsContact NZ-OE1 3.08Å; K122-E132 IonicContact NZ-OE2 3.16Å; K122-E132 PolarHBondContact NZ-OE2 2.93Å; L126-E132 HydrophobicContact CD2-CG 3.92Å; E132-L177 HydrophobicContact CG-CD2 3.89Å; E132-L177 VanDerWaalsContact OE1-CD2 3.29Å; E132-L177 WeakPolarHBondContact OE1-CD2 3.47Å
133	T	95	Very high	95.5	Very high	35 Å²	35	64.9 Å²	64.9	22%	0.215	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	163.4	-178.9	65.9	0	0	0	0	111.1	I125 N127 E131 A135 L168	I125-T133 PolarHBondContact N-O 2.81Å; I125-T133 PolarHBondContact O-N 2.86Å; I125-T133 PolarHBondContact O-OG1 2.86Å; N127-T133 HydrophobicContact CB-CG2 3.99Å; E131-T133 PolarHBondContact O-N 2.88Å; T133-A135 VanDerWaalsContact C-N 3.28Å; T133-A135 PolarHBondContact O-N 2.97Å; T133-L168 WeakPolarHBondContact OG1-CD2 3.39Å
134	K	95.5	Very high	95.3	Very high	103 Å²	103	64.9 Å²	64.9	45%	0.448	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	43.8	54.8	178.2	-60.1	-70.1	-174.3	-179.9	0	111.6	I125 F155 I156 L168	I125-K134 HydrophobicContact CD1-CB 4.2Å; I125-K134 HydrophobicContact CG1-CB 4.44Å; K134-F155 WeakPolarHBondContact O-CZ 3.38Å; K134-I156 HydrophobicContact CB-CD1 4.02Å; K134-I156 HydrophobicContact CD-CD1 4.1Å; K134-I156 HydrophobicContact CG-CD1 3.77Å; K134-L168 HydrophobicContact CG-CD1 3.92Å; K134-L168 HydrophobicContact CG-CD2 3.97Å
135	A	96.5	Very high	95.1	Very high	55 Å²	55	67.8 Å²	67.8	46%	0.455	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	139.4	-172.8	0	0	0	0	0	111.5	F123 T133	F123-A135 CarbonylContact O-C 3.3Å; F123-A135 WeakPolarHBondContact O-CA 2.92Å; T133-A135 VanDerWaalsContact C-N 3.28Å; T133-A135 PolarHBondContact O-N 2.97Å
136	M	97.7	Very high	94.9	Very high	53 Å²	53	73.1 Å²	73.1	26%	0.261	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.8	170.4	-63.8	-178.9	77.7	0	0	108.7	K122 F123 F152 F155	K122-M136 CarbonylContact C-O 3.57Å; K122-M136 WeakPolarHBondContact CA-O 3.21Å; F123-M136 PolarHBondContact N-O 2.96Å; F123-M136 PolarHBondContact O-N 2.85Å; M136-F152 HydrophobicContact CB-CD1 4.47Å; M136-F152 HydrophobicContact CB-CD2 3.65Å; M136-F152 HydrophobicContact CB-CE1 4.25Å; M136-F152 HydrophobicContact CB-CE2 3.39Å; M136-F152 HydrophobicContact CB-CG 4.2Å; M136-F152 HydrophobicContact CB-CZ 3.73Å; M136-F152 HydrophobicContact CE-CB 4.05Å; M136-F152 HydrophobicContact CE-CD1 3.57Å; M136-F152 HydrophobicContact CE-CD2 4.38Å; M136-F152 HydrophobicContact CE-CE1 4.11Å; M136-F152 HydrophobicContact CE-CG 3.72Å; M136-F152 HydrophobicContact CG-CD2 4.49Å; M136-F152 HydrophobicContact SD-CB 4.06Å; M136-F152 HydrophobicContact SD-CD1 4.34Å; M136-F152 HydrophobicContact SD-CD2 4.11Å; M136-F152 HydrophobicContact SD-CG 3.9Å; M136-F155 HydrophobicContact CB-CD2 4.12Å; M136-F155 HydrophobicContact CB-CE2 4.06Å; M136-F155 HydrophobicContact CG-CD2 4.02Å; M136-F155 HydrophobicContact CG-CE2 4.1Å; M136-F155 HydrophobicContact SD-CD2 3.66Å; M136-F155 HydrophobicContact SD-CE2 4.33Å; M136-F155 HydrophobicContact SD-CG 4.48Å
137	E	97.5	Very high	94.7	Very high	95 Å²	95	74.9 Å²	74.9	44%	0.444	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.5	-177.5	-174.3	171.2	155.1	0	0	109.2	K120 F121 K122 Q139	K120-E137 WeakPolarHBondContact CD-OE1 3.45Å; K120-E137 WeakPolarHBondContact CE-OE1 3.39Å; K120-E137 IonicContact NZ-OE1 3.36Å; K120-E137 PolarHBondContact NZ-OE1 3.43Å; F121-E137 CarbonylContact O-C 3.25Å; F121-E137 WeakPolarHBondContact O-CA 3.47Å; K122-E137 HydrophobicContact CB-CB 4.09Å; K122-E137 HydrophobicContact CB-CG 3.93Å; K122-E137 HydrophobicContact CG-CB 4.03Å; K122-E137 HydrophobicContact CG-CG 4.33Å; E137-Q139 PolarHBondContact O-N 3.08Å
138	S	97.1	Very high	94.6	Very high	0 Å²	0	76.9 Å²	76.9	0%	0	39%	0.387	C	S	.	.			trans	-57.2	135.3	179.1	61.3	0	0	0	0	110.4	K120 F121 R140 Y142	K120-S138 WeakPolarHBondContact CA-OG 3.26Å; K120-S138 WeakPolarHBondContact CE-O 3.27Å; K120-S138 WeakPolarHBondContact CG-OG 3.04Å; F121-S138 PolarHBondContact N-OG 2.81Å; F121-S138 PolarHBondContact O-N 3.26Å; F121-S138 PolarHBondContact O-OG 3.42Å; S138-R140 VanDerWaalsContact C-N 3.3Å; S138-R140 WeakPolarHBondContact CB-O 3.28Å; S138-R140 PolarHBondContact O-N 2.97Å; S138-R140 PolarHBondContact OG-O 2.82Å; S138-Y142 VanDerWaalsContact CB-CE2 3.45Å
139	Q	93.4	Very high	94.8	Very high	141 Å²	141	75 Å²	75	66%	0.659	37%	0.367	S	S	*	.	S	Bend	trans	-60.6	-45.6	-177.9	-57.3	-168.8	17.4	0	0	111	E137	E137-Q139 PolarHBondContact O-N 3.08Å
140	R	94	Very high	95	Very high	104 Å²	104	69 Å²	69	39%	0.392	34%	0.34	S	S	.	.	S	Bend	trans	-114	178.7	178.8	56.5	-177.4	159.2	163.7	-3.1	112	S138 Y142 D299 E303	S138-R140 VanDerWaalsContact C-N 3.3Å; S138-R140 WeakPolarHBondContact CB-O 3.28Å; S138-R140 PolarHBondContact O-N 2.97Å; S138-R140 PolarHBondContact OG-O 2.82Å; R140-Y142 HydrophobicContact CG-CD1 4.13Å; R140-Y142 HydrophobicContact CG-CE1 3.92Å; R140-Y142 HydrophobicContact CG-CE2 4.39Å; R140-Y142 HydrophobicContact CG-CG 4.41Å; R140-D299 IonicContact CZ-OD2 2.72Å; R140-D299 IonicContact NH1-OD2 3.59Å; R140-D299 PolarHBondContact NH1-OD2 2.76Å; R140-D299 IonicContact NH2-OD2 3.34Å; R140-D299 PolarHBondContact NH2-OD2 3.25Å; R140-E303 IonicContact NE-OE1 2.76Å; R140-E303 IonicContact NH2-OE1 2.9Å; R140-E303 PolarHBondContact NH2-OE1 3.08Å
141	A	95.4	Very high	95.3	Very high	39 Å²	39	60.3 Å²	60.3	32%	0.322	31%	0.314	S	S	.	.			trans	-88.6	111.5	161.7	0	0	0	0	0	108.6	A119 K120 V183	A119-A141 CarbonylContact O-C 3.55Å; A119-A141 VanDerWaalsContact O-CA 3.27Å; A119-A141 WeakPolarHBondContact O-CA 3.29Å; K120-A141 HydrophobicContact CB-CB 4.23Å; A141-V183 HydrophobicContact CB-CG2 4.18Å
142	Y	96.5	Very high	95.5	Very high	9 Å²	9	56.9 Å²	56.9	4%	0.035	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	159	-178.6	-64.2	-86.5	0	0	0	112.1	R118 A119 F121 S138 R140 F144 W150 E303	R118-Y142 WeakPolarHBondContact CA-O 3.41Å; A119-Y142 PolarHBondContact N-O 3.2Å; A119-Y142 VanDerWaalsContact N-O 3.12Å; A119-Y142 PolarHBondContact O-N 2.81Å; F121-Y142 AromaticContact CE1-CD2 3.66Å; F121-Y142 HydrophobicContact CE1-CD2 3.66Å; F121-Y142 HydrophobicContact CE1-CE2 4.04Å; F121-Y142 HydrophobicContact CZ-CD2 4.31Å; F121-Y142 HydrophobicContact CZ-CE2 4.25Å; S138-Y142 VanDerWaalsContact CB-CE2 3.45Å; R140-Y142 HydrophobicContact CG-CD1 4.13Å; R140-Y142 HydrophobicContact CG-CE1 3.92Å; R140-Y142 HydrophobicContact CG-CE2 4.39Å; R140-Y142 HydrophobicContact CG-CG 4.41Å; Y142-F144 WeakPolarHBondContact O-CD2 3.5Å; Y142-F144 PolarHBondContact O-N 2.67Å; Y142-W150 AromaticContact CD1-CD2 3.85Å; Y142-W150 HydrophobicContact CD1-CD2 3.85Å; Y142-W150 AromaticContact CD1-CE3 3.69Å; Y142-W150 HydrophobicContact CD1-CE3 3.69Å; Y142-W150 HydrophobicContact CD1-CH2 4.07Å; Y142-W150 HydrophobicContact CD1-CZ2 4.2Å; Y142-W150 AromaticContact CD1-CZ3 3.82Å; Y142-W150 HydrophobicContact CD1-CZ3 3.82Å; Y142-W150 HydrophobicContact CD2-CB 4.37Å; Y142-W150 HydrophobicContact CD2-CD2 4.46Å; Y142-W150 HydrophobicContact CD2-CG 4.39Å; Y142-W150 AromaticContact CE1-CE3 3.98Å; Y142-W150 HydrophobicContact CE1-CE3 3.98Å; Y142-W150 AromaticContact CE1-CZ3 4Å; Y142-W150 HydrophobicContact CE1-CZ3 4Å; Y142-W150 AromaticContact CG-CD2 3.82Å; Y142-W150 HydrophobicContact CG-CD2 3.82Å; Y142-W150 HydrophobicContact CG-CE3 4.06Å; Y142-W150 HydrophobicContact CG-CG 4.03Å; Y142-E303 PolarHBondContact OH-OE1 2.97Å; Y142-E303 PolarHBondContact OH-OE2 3.36Å
143	R	94.9	Very high	95.5	Very high	84 Å²	84	55.2 Å²	55.2	32%	0.317	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	105.9	173.4	170.8	167.4	64.7	-177.6	1.7	109.7	E116 V145 W150 E296	E116-R143 HydrophobicContact CB-CG 4.37Å; E116-R143 WeakPolarHBondContact OE2-CD 3.22Å; E116-R143 WeakPolarHBondContact OE2-CG 3.39Å; R143-V145 HydrophobicContact CG-CG1 4.45Å; R143-W150 PolarHBondContact O-NE1 3.33Å; R143-E296 IonicContact CZ-OE1 2.72Å; R143-E296 IonicContact NE-OE1 2.67Å; R143-E296 IonicContact NH2-OE1 2.75Å; R143-E296 PolarHBondContact NH2-OE1 3.06Å
144	F	95.4	Very high	95.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	114.7	169.8	-65.9	-98.9	0	0	0	109.8	W85 L106 L108 E116 A117 A119 F121 Y142 W150	W85-F144 HydrophobicContact CH2-CB 4.25Å; W85-F144 HydrophobicContact CH2-CD1 4.35Å; W85-F144 AromaticContact CH2-CD2 3.96Å; W85-F144 HydrophobicContact CH2-CD2 3.96Å; W85-F144 HydrophobicContact CH2-CE2 4.4Å; W85-F144 AromaticContact CH2-CG 3.93Å; W85-F144 HydrophobicContact CH2-CG 3.93Å; W85-F144 HydrophobicContact CZ3-CB 4.29Å; W85-F144 AromaticContact CZ3-CD1 3.64Å; W85-F144 HydrophobicContact CZ3-CD1 3.64Å; W85-F144 AromaticContact CZ3-CD2 3.97Å; W85-F144 HydrophobicContact CZ3-CD2 3.97Å; W85-F144 AromaticContact CZ3-CE1 3.85Å; W85-F144 HydrophobicContact CZ3-CE1 3.85Å; W85-F144 HydrophobicContact CZ3-CE2 4.18Å; W85-F144 AromaticContact CZ3-CG 3.7Å; W85-F144 HydrophobicContact CZ3-CG 3.7Å; W85-F144 HydrophobicContact CZ3-CZ 4.11Å; L106-F144 HydrophobicContact CB-CE1 4.47Å; L106-F144 HydrophobicContact CD2-CE1 4.28Å; L106-F144 HydrophobicContact CD2-CZ 3.99Å; L106-F144 HydrophobicContact CG-CE1 4.23Å; L106-F144 HydrophobicContact CG-CZ 4.4Å; L106-F144 WeakPolarHBondContact O-CE1 3.4Å; L108-F144 HydrophobicContact CB-CB 3.84Å; L108-F144 HydrophobicContact CB-CD1 4.13Å; L108-F144 HydrophobicContact CB-CG 4.37Å; L108-F144 HydrophobicContact CD2-CB 3.7Å; L108-F144 WeakPolarHBondContact CD2-O 3.37Å; L108-F144 HydrophobicContact CG-CB 4.38Å; E116-F144 CarbonylContact C-O 3.57Å; E116-F144 WeakPolarHBondContact CA-O 3.39Å; A117-F144 PolarHBondContact N-O 3.26Å; A117-F144 WeakPolarHBondContact O-CB 3.22Å; A117-F144 PolarHBondContact O-N 2.9Å; A119-F144 HydrophobicContact CB-CD2 4.02Å; A119-F144 HydrophobicContact CB-CE2 3.85Å; F121-F144 HydrophobicContact CD1-CE2 4.27Å; F121-F144 AromaticContact CD1-CZ 3.77Å; F121-F144 HydrophobicContact CD1-CZ 3.77Å; F121-F144 AromaticContact CE1-CZ 3.95Å; F121-F144 HydrophobicContact CE1-CZ 3.95Å; Y142-F144 WeakPolarHBondContact O-CD2 3.5Å; Y142-F144 PolarHBondContact O-N 2.67Å; F144-W150 AromaticContact CD1-CD1 3.71Å; F144-W150 HydrophobicContact CE1-CB 3.9Å; F144-W150 AromaticContact CE1-CD1 3.56Å; F144-W150 HydrophobicContact CE1-CG 4.14Å; F144-W150 AromaticContact CE2-CD1 4Å; F144-W150 HydrophobicContact CZ-CB 3.79Å; F144-W150 AromaticContact CZ-CD1 3.72Å; F144-W150 HydrophobicContact CZ-CG 4.12Å
145	V	93.1	Very high	95.8	Very high	60 Å²	60	50.9 Å²	50.9	36%	0.364	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	159.8	160.9	-63.8	0	0	0	0	109.4	E116 R143 G147 K148	E116-V145 HydrophobicContact CB-CG1 4.4Å; R143-V145 HydrophobicContact CG-CG1 4.45Å; V145-G147 PolarHBondContact O-N 3.43Å; V145-K148 HydrophobicContact CG2-CB 3.63Å; V145-K148 HydrophobicContact CG2-CD 4.34Å; V145-K148 PolarHBondContact O-N 2.95Å; V145-K148 VanDerWaalsContact O-N 3.09Å
146	Q	93.2	Very high	95.8	Very high	113 Å²	113	48.7 Å²	48.7	53%	0.528	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	121.1	-179.2	-177	168.5	-7.8	0	0	111.1	V109 C111	V109-Q146 WeakPolarHBondContact O-CG 3.46Å; V109-Q146 PolarHBondContact O-NE2 3.02Å; C111-Q146 HydrophobicContact CB-CB 4.3Å
147	G	92.4	Very high	95.8	Very high	53 Å²	53	50.2 Å²	50.2	55%	0.546	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.3	-15.5	-176.9	0	0	0	0	0	115.3	L107 L108 V145	L107-G147 VanDerWaalsContact CD1-C 3.5Å; L107-G147 WeakPolarHBondContact CD1-O 3.44Å; L108-G147 PolarHBondContact O-N 3.22Å; V145-G147 PolarHBondContact O-N 3.43Å
148	K	93.1	Very high	95.7	Very high	70 Å²	70	49.5 Å²	49.5	30%	0.304	24%	0.244	S	C	.	.			trans	-86.4	134.6	173.9	-169.6	159.3	-174.1	160.7	0	110.4	L108 V145 W150 E296	L108-K148 PolarHBondContact N-O 2.62Å; V145-K148 HydrophobicContact CG2-CB 3.63Å; V145-K148 HydrophobicContact CG2-CD 4.34Å; V145-K148 PolarHBondContact O-N 2.95Å; V145-K148 VanDerWaalsContact O-N 3.09Å; K148-W150 HydrophobicContact CD-CZ2 4.41Å; K148-E296 IonicContact NZ-OE2 2.78Å; K148-E296 PolarHBondContact NZ-OE2 3.24Å
149	D	96	Very high	95.6	Very high	36 Å²	36	53.4 Å²	53.4	19%	0.193	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	159.4	168.9	-0.3	69.7	0	0	0	111.4	R88 Y105 L106 L107	R88-D149 WeakPolarHBondContact CD-OD2 3.21Å; R88-D149 IonicContact CZ-OD1 3.7Å; R88-D149 IonicContact CZ-OD2 3.33Å; R88-D149 IonicContact NE-OD2 2.76Å; R88-D149 IonicContact NH1-OD1 3.68Å; R88-D149 PolarHBondContact NH1-OD1 2.72Å; R88-D149 IonicContact NH1-OD2 3.74Å; R88-D149 PolarHBondContact NH1-OD2 2.94Å; Y105-D149 HydrophobicContact CD1-CB 4.39Å; L106-D149 WeakPolarHBondContact O-CA 3.46Å; L106-D149 VanDerWaalsContact O-CB 3.26Å; L106-D149 WeakPolarHBondContact O-CB 3.1Å; L107-D149 HydrophobicContact CB-CB 4.18Å; L107-D149 WeakPolarHBondContact CB-OD2 3.47Å; L107-D149 HydrophobicContact CD1-CB 4.37Å; L107-D149 WeakPolarHBondContact CD1-OD2 3.4Å
150	W	97.6	Very high	95.7	Very high	22 Å²	22	48.5 Å²	48.5	8%	0.083	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.9	164.8	-67.2	96.8	0	0	0	108.9	L106 F121 Y142 R143 F144 K148	L106-W150 PolarHBondContact N-O 2.79Å; L106-W150 PolarHBondContact O-N 2.79Å; F121-W150 HydrophobicContact CE1-CB 3.54Å; F121-W150 HydrophobicContact CZ-CB 3.89Å; Y142-W150 AromaticContact CD1-CD2 3.85Å; Y142-W150 HydrophobicContact CD1-CD2 3.85Å; Y142-W150 AromaticContact CD1-CE3 3.69Å; Y142-W150 HydrophobicContact CD1-CE3 3.69Å; Y142-W150 HydrophobicContact CD1-CH2 4.07Å; Y142-W150 HydrophobicContact CD1-CZ2 4.2Å; Y142-W150 AromaticContact CD1-CZ3 3.82Å; Y142-W150 HydrophobicContact CD1-CZ3 3.82Å; Y142-W150 HydrophobicContact CD2-CB 4.37Å; Y142-W150 HydrophobicContact CD2-CD2 4.46Å; Y142-W150 HydrophobicContact CD2-CG 4.39Å; Y142-W150 AromaticContact CE1-CE3 3.98Å; Y142-W150 HydrophobicContact CE1-CE3 3.98Å; Y142-W150 AromaticContact CE1-CZ3 4Å; Y142-W150 HydrophobicContact CE1-CZ3 4Å; Y142-W150 AromaticContact CG-CD2 3.82Å; Y142-W150 HydrophobicContact CG-CD2 3.82Å; Y142-W150 HydrophobicContact CG-CE3 4.06Å; Y142-W150 HydrophobicContact CG-CG 4.03Å; R143-W150 PolarHBondContact O-NE1 3.33Å; F144-W150 AromaticContact CD1-CD1 3.71Å; F144-W150 HydrophobicContact CE1-CB 3.9Å; F144-W150 AromaticContact CE1-CD1 3.56Å; F144-W150 HydrophobicContact CE1-CG 4.14Å; F144-W150 AromaticContact CE2-CD1 4Å; F144-W150 HydrophobicContact CZ-CB 3.79Å; F144-W150 AromaticContact CZ-CD1 3.72Å; F144-W150 HydrophobicContact CZ-CG 4.12Å; K148-W150 HydrophobicContact CD-CZ2 4.41Å
151	G	97.4	Very high	95.8	Very high	21 Å²	21	43.7 Å²	43.7	22%	0.216	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.8	-166.9	-171.7	0	0	0	0	0	113.4	L104	L104-G151 CarbonylContact O-C 3.49Å; L104-G151 WeakPolarHBondContact O-CA 3.41Å
152	F	97.6	Very high	95.7	Very high	19 Å²	19	45.6 Å²	45.6	8%	0.083	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	114.5	-179.9	-50.3	-72.6	0	0	0	110.1	L104 F121 F123 M136 K154 F155	L104-F152 PolarHBondContact N-O 3.2Å; L104-F152 PolarHBondContact O-N 3.03Å; F121-F152 HydrophobicContact CD2-CE2 4.37Å; F121-F152 HydrophobicContact CE2-CD2 4.49Å; F121-F152 AromaticContact CE2-CE2 3.74Å; F121-F152 HydrophobicContact CE2-CE2 3.74Å; F121-F152 AromaticContact CE2-CZ 3.85Å; F121-F152 HydrophobicContact CE2-CZ 3.85Å; F123-F152 AromaticContact CD2-CD2 3.68Å; F123-F152 HydrophobicContact CD2-CD2 3.68Å; F123-F152 AromaticContact CD2-CE2 3.75Å; F123-F152 HydrophobicContact CD2-CE2 3.75Å; F123-F152 AromaticContact CE2-CD2 3.97Å; F123-F152 HydrophobicContact CE2-CD2 3.97Å; F123-F152 HydrophobicContact CE2-CE2 4.05Å; M136-F152 HydrophobicContact CB-CD1 4.47Å; M136-F152 HydrophobicContact CB-CD2 3.65Å; M136-F152 HydrophobicContact CB-CE1 4.25Å; M136-F152 HydrophobicContact CB-CE2 3.39Å; M136-F152 HydrophobicContact CB-CG 4.2Å; M136-F152 HydrophobicContact CB-CZ 3.73Å; M136-F152 HydrophobicContact CE-CB 4.05Å; M136-F152 HydrophobicContact CE-CD1 3.57Å; M136-F152 HydrophobicContact CE-CD2 4.38Å; M136-F152 HydrophobicContact CE-CE1 4.11Å; M136-F152 HydrophobicContact CE-CG 3.72Å; M136-F152 HydrophobicContact CG-CD2 4.49Å; M136-F152 HydrophobicContact SD-CB 4.06Å; M136-F152 HydrophobicContact SD-CD1 4.34Å; M136-F152 HydrophobicContact SD-CD2 4.11Å; M136-F152 HydrophobicContact SD-CG 3.9Å; F152-K154 PolarHBondContact O-N 2.87Å; F152-F155 HydrophobicContact CB-CB 4.01Å; F152-F155 AromaticContact CD2-CD2 3.97Å; F152-F155 HydrophobicContact CD2-CD2 3.97Å; F152-F155 PolarHBondContact O-N 2.9Å
153	K	96.8	Very high	95.6	Very high	47 Å²	47	49 Å²	49	20%	0.204	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	-31.6	175.9	-171.2	177.3	-175.7	-176.4	0	111.9	D95 E97 S98 S103 Y105	D95-K153 WeakPolarHBondContact OD1-CE 3.39Å; D95-K153 IonicContact OD1-NZ 3.26Å; D95-K153 WeakPolarHBondContact OD2-CE 3.34Å; D95-K153 IonicContact OD2-NZ 3.85Å; D95-K153 PolarHBondContact OD2-NZ 2.9Å; E97-K153 WeakPolarHBondContact OE2-CE 3.28Å; E97-K153 IonicContact OE2-NZ 3.8Å; E97-K153 PolarHBondContact OE2-NZ 3.42Å; S98-K153 WeakPolarHBondContact CB-O 3.25Å; S103-K153 VanDerWaalsContact CB-O 3.28Å; S103-K153 WeakPolarHBondContact CB-O 3.34Å; S103-K153 PolarHBondContact OG-O 3.43Å; Y105-K153 WeakPolarHBondContact OH-CA 3.49Å
154	K	97.5	Very high	95.4	Very high	37 Å²	37	53.7 Å²	53.7	16%	0.161	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	33.8	-174.5	-62.1	172.4	-173.7	125.4	0	113	E97 Y101 F152 I156 N304	E97-K154 WeakPolarHBondContact OE1-CE 3.33Å; E97-K154 IonicContact OE1-NZ 3.22Å; E97-K154 PolarHBondContact OE1-NZ 3.1Å; E97-K154 IonicContact OE2-NZ 3.28Å; Y101-K154 HydrophobicContact CD1-CB 3.64Å; Y101-K154 HydrophobicContact CD1-CG 4.33Å; Y101-K154 WeakPolarHBondContact CD1-O 3.4Å; Y101-K154 HydrophobicContact CD2-CB 4.36Å; Y101-K154 HydrophobicContact CD2-CG 4.16Å; Y101-K154 HydrophobicContact CE1-CB 3.9Å; Y101-K154 HydrophobicContact CE2-CG 4.36Å; Y101-K154 HydrophobicContact CG-CB 3.91Å; Y101-K154 HydrophobicContact CG-CG 4.17Å; F152-K154 PolarHBondContact O-N 2.87Å; K154-I156 VanDerWaalsContact C-N 3.32Å; K154-I156 PolarHBondContact O-N 3.06Å; K154-I156 VanDerWaalsContact O-N 3.08Å; K154-N304 PolarHBondContact NZ-OD1 3.13Å
155	F	97.9	Very high	95.3	Very high	10 Å²	10	58 Å²	58	4%	0.044	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-46.9	-43.6	-169.9	177.1	-112.3	0	0	0	115.6	L102 L104 F123 I125 K134 M136 F152 I176	L102-F155 HydrophobicContact CD2-CD1 4.15Å; L102-F155 WeakPolarHBondContact O-CB 3.36Å; L102-F155 PolarHBondContact O-N 3.32Å; L104-F155 HydrophobicContact CB-CB 4.03Å; L104-F155 HydrophobicContact CB-CD1 4.05Å; L104-F155 HydrophobicContact CB-CG 4.01Å; L104-F155 HydrophobicContact CD2-CD1 3.77Å; L104-F155 HydrophobicContact CD2-CD2 4.35Å; L104-F155 HydrophobicContact CD2-CE1 3.71Å; L104-F155 HydrophobicContact CD2-CE2 4.32Å; L104-F155 HydrophobicContact CD2-CG 4.1Å; L104-F155 HydrophobicContact CD2-CZ 4.01Å; F123-F155 HydrophobicContact CB-CD2 4.39Å; F123-F155 HydrophobicContact CB-CE2 3.66Å; F123-F155 HydrophobicContact CB-CZ 3.89Å; F123-F155 HydrophobicContact CD2-CD2 4.46Å; I125-F155 HydrophobicContact CD1-CE1 4.24Å; I125-F155 HydrophobicContact CG1-CE1 4.05Å; I125-F155 HydrophobicContact CG1-CZ 4.31Å; K134-F155 WeakPolarHBondContact O-CZ 3.38Å; M136-F155 HydrophobicContact CB-CD2 4.12Å; M136-F155 HydrophobicContact CB-CE2 4.06Å; M136-F155 HydrophobicContact CG-CD2 4.02Å; M136-F155 HydrophobicContact CG-CE2 4.1Å; M136-F155 HydrophobicContact SD-CD2 3.66Å; M136-F155 HydrophobicContact SD-CE2 4.33Å; M136-F155 HydrophobicContact SD-CG 4.48Å; F152-F155 HydrophobicContact CB-CB 4.01Å; F152-F155 AromaticContact CD2-CD2 3.97Å; F152-F155 HydrophobicContact CD2-CD2 3.97Å; F152-F155 PolarHBondContact O-N 2.9Å; F155-I176 HydrophobicContact CE1-CD1 4.24Å
156	I	97.6	Very high	95.3	Very high	10 Å²	10	58.2 Å²	58.2	5%	0.051	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	139.3	170.2	-170	170.1	0	0	0	111.2	Y101 L102 I125 K134 K154 V160 L161 L168	Y101-I156 CarbonylContact C-O 3.58Å; Y101-I156 WeakPolarHBondContact CA-O 3.12Å; L102-I156 HydrophobicContact CB-CG2 3.98Å; L102-I156 PolarHBondContact N-O 2.83Å; L102-I156 PolarHBondContact O-N 2.83Å; I125-I156 HydrophobicContact CD1-CD1 3.65Å; I125-I156 HydrophobicContact CD1-CG2 4.3Å; K134-I156 HydrophobicContact CB-CD1 4.02Å; K134-I156 HydrophobicContact CD-CD1 4.1Å; K134-I156 HydrophobicContact CG-CD1 3.77Å; K154-I156 VanDerWaalsContact C-N 3.32Å; K154-I156 PolarHBondContact O-N 3.06Å; K154-I156 VanDerWaalsContact O-N 3.08Å; I156-V160 HydrophobicContact CD1-CG1 4.32Å; I156-L161 HydrophobicContact CD1-CB 4.28Å; I156-L161 HydrophobicContact CD1-CD1 4.39Å; I156-L161 HydrophobicContact CG1-CB 4.5Å; I156-L161 HydrophobicContact CG2-CB 4.29Å; I156-L161 HydrophobicContact CG2-CD2 4.06Å; I156-L168 HydrophobicContact CD1-CD1 3.63Å
157	R	97.3	Very high	95.2	Very high	85 Å²	85	54.3 Å²	54.3	32%	0.321	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	140	171.5	-63.1	179.5	58.5	82.6	3.3	111.2	E100 Y101 D159 V160 L161	E100-R157 CarbonylContact O-C 3.58Å; E100-R157 WeakPolarHBondContact O-CA 3.45Å; E100-R157 IonicContact OE2-NH2 3.05Å; Y101-R157 HydrophobicContact CD1-CB 4.35Å; Y101-R157 HydrophobicContact CD1-CG 3.83Å; Y101-R157 HydrophobicContact CE1-CB 4.29Å; Y101-R157 HydrophobicContact CE1-CG 3.3Å; R157-D159 VanDerWaalsContact C-N 3.34Å; R157-D159 WeakPolarHBondContact CB-OD1 3.25Å; R157-D159 IonicContact CZ-OD1 2.62Å; R157-D159 IonicContact CZ-OD2 3.53Å; R157-D159 IonicContact NE-OD1 3.57Å; R157-D159 PolarHBondContact NE-OD1 2.81Å; R157-D159 IonicContact NE-OD2 3.76Å; R157-D159 PolarHBondContact NE-OD2 2.94Å; R157-D159 IonicContact NH2-OD1 3.43Å; R157-D159 IonicContact NH2-OD2 2.68Å; R157-D159 PolarHBondContact NH2-OD2 2.89Å; R157-D159 PolarHBondContact O-N 2.94Å; R157-V160 HydrophobicContact CB-CB 4.43Å; R157-V160 HydrophobicContact CB-CG2 4.27Å; R157-V160 PolarHBondContact O-N 3.37Å; R157-L161 WeakPolarHBondContact O-CB 3.36Å; R157-L161 PolarHBondContact O-N 3.22Å
158	R	95.4	Very high	95.4	Very high	79 Å²	79	52.1 Å²	52.1	30%	0.298	28%	0.275	S	S	.	.	H	α-helix	trans	-71.5	-27.1	-176.5	-66.3	173.4	68.7	-111.6	-12.2	113	P91 R99 E100 Y101 M162	P91-R158 WeakPolarHBondContact O-CD 3.11Å; P91-R158 PolarHBondContact O-NE 2.71Å; R99-R158 WeakPolarHBondContact O-CD 3.47Å; E100-R158 WeakPolarHBondContact O-CB 3.33Å; E100-R158 WeakPolarHBondContact O-CG 3.41Å; E100-R158 PolarHBondContact O-N 2.72Å; Y101-R158 VanDerWaalsContact C-CG 3.48Å; Y101-R158 WeakPolarHBondContact O-CD 3.07Å; R158-M162 WeakPolarHBondContact O-CB 3.4Å; R158-M162 WeakPolarHBondContact O-CG 3.33Å; R158-M162 PolarHBondContact O-N 3.2Å
159	D	94.9	Very high	95.5	Very high	82 Å²	82	50.3 Å²	50.3	44%	0.439	27%	0.268	S	S	.	.	H	α-helix	trans	-66	-52.9	172.2	50.6	10.6	0	0	0	111.3	R157 L161 M162 D163	R157-D159 VanDerWaalsContact C-N 3.34Å; R157-D159 WeakPolarHBondContact CB-OD1 3.25Å; R157-D159 IonicContact CZ-OD1 2.62Å; R157-D159 IonicContact CZ-OD2 3.53Å; R157-D159 IonicContact NE-OD1 3.57Å; R157-D159 PolarHBondContact NE-OD1 2.81Å; R157-D159 IonicContact NE-OD2 3.76Å; R157-D159 PolarHBondContact NE-OD2 2.94Å; R157-D159 IonicContact NH2-OD1 3.43Å; R157-D159 IonicContact NH2-OD2 2.68Å; R157-D159 PolarHBondContact NH2-OD2 2.89Å; R157-D159 PolarHBondContact O-N 2.94Å; D159-L161 VanDerWaalsContact C-N 3.26Å; D159-L161 PolarHBondContact O-N 2.89Å; D159-M162 PolarHBondContact O-N 2.9Å; D159-D163 WeakPolarHBondContact O-CB 3.45Å; D159-D163 PolarHBondContact O-N 2.79Å
160	V	95.8	Very high	95.3	Very high	38 Å²	38	50.2 Å²	50.2	23%	0.23	27%	0.27	C	S	.	.	H	α-helix	trans	-59.5	-35.1	175.5	177	0	0	0	0	112.2	I156 R157 N166 L168	I156-V160 HydrophobicContact CD1-CG1 4.32Å; R157-V160 HydrophobicContact CB-CB 4.43Å; R157-V160 HydrophobicContact CB-CG2 4.27Å; R157-V160 PolarHBondContact O-N 3.37Å; V160-N166 PolarHBondContact O-ND2 2.93Å; V160-N166 VanDerWaalsContact O-ND2 3.15Å; V160-L168 HydrophobicContact CG1-CD1 4.32Å
161	L	96.1	Very high	95.1	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-71.9	-40.9	178.5	-179.3	60.1	0	0	0	113.2	F59 L102 I125 I156 R157 D159 L168 L169 L174	F59-L161 HydrophobicContact CE1-CD2 3.76Å; F59-L161 HydrophobicContact CZ-CD2 4.27Å; L102-L161 HydrophobicContact CB-CD2 4.27Å; L102-L161 HydrophobicContact CD1-CD2 3.56Å; I125-L161 HydrophobicContact CD1-CD1 3.93Å; I156-L161 HydrophobicContact CD1-CB 4.28Å; I156-L161 HydrophobicContact CD1-CD1 4.39Å; I156-L161 HydrophobicContact CG1-CB 4.5Å; I156-L161 HydrophobicContact CG2-CB 4.29Å; I156-L161 HydrophobicContact CG2-CD2 4.06Å; R157-L161 WeakPolarHBondContact O-CB 3.36Å; R157-L161 PolarHBondContact O-N 3.22Å; D159-L161 VanDerWaalsContact C-N 3.26Å; D159-L161 PolarHBondContact O-N 2.89Å; L161-L168 HydrophobicContact CD1-CB 4.16Å; L161-L168 HydrophobicContact CD1-CD1 4.47Å; L161-L169 HydrophobicContact CD1-CD2 3.98Å; L161-L169 HydrophobicContact CD1-CG 4.15Å; L161-L169 HydrophobicContact CG-CD1 4.36Å; L161-L169 HydrophobicContact CG-CD2 4.49Å; L161-L169 HydrophobicContact CG-CG 4.49Å; L161-L169 WeakPolarHBondContact O-CD1 3.45Å; L161-L169 WeakPolarHBondContact O-CG 3.29Å; L161-L174 HydrophobicContact CD1-CD1 4.13Å
162	M	93.4	Very high	95	Very high	79 Å²	79	56.7 Å²	56.7	39%	0.389	30%	0.301	S	S	.	.	H	α-helix	trans	-88.2	-18.5	-175.4	-65.3	-63.6	-155.3	0	0	113.8	F59 R158 D159 E164 L169	F59-M162 HydrophobicContact CD1-CE 4.06Å; F59-M162 HydrophobicContact CD1-SD 4.3Å; F59-M162 HydrophobicContact CE1-CE 3.89Å; F59-M162 HydrophobicContact CE1-SD 4.4Å; R158-M162 WeakPolarHBondContact O-CB 3.4Å; R158-M162 WeakPolarHBondContact O-CG 3.33Å; R158-M162 PolarHBondContact O-N 3.2Å; D159-M162 PolarHBondContact O-N 2.9Å; M162-E164 PolarHBondContact O-N 2.83Å; M162-L169 HydrophobicContact SD-CD1 3.62Å
163	D	93.4	Very high	94.9	Very high	80 Å²	80	60.7 Å²	60.7	43%	0.428	32%	0.316	S	S	.	.			trans	-68.4	113.3	174.3	168.5	23.3	0	0	0	111.4	D159 A165 N166	D159-D163 WeakPolarHBondContact O-CB 3.45Å; D159-D163 PolarHBondContact O-N 2.79Å; D163-A165 PolarHBondContact O-N 3.17Å; D163-A165 VanDerWaalsContact O-N 3.13Å; D163-A165 VanDerWaalsContact OD1-CB 3.29Å; D163-A165 WeakPolarHBondContact OD1-CB 3.35Å; D163-A165 PolarHBondContact OD1-N 3.21Å; D163-N166 WeakPolarHBondContact CB-ND2 3.37Å; D163-N166 VanDerWaalsContact CG-ND2 3.33Å; D163-N166 PolarHBondContact O-N 2.7Å; D163-N166 PolarHBondContact OD2-ND2 2.88Å
164	E	91.3	Very high	94.9	Very high	183 Å²	183	58.5 Å²	58.5	86%	0.855	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-53.9	-30.6	179.8	-61.6	-171.6	164.2	0	0	113.1	M162 N166 G167	M162-E164 PolarHBondContact O-N 2.83Å; E164-N166 PolarHBondContact O-N 3.24Å; E164-G167 PolarHBondContact O-N 2.92Å
165	A	92.8	Very high	94.9	Very high	90 Å²	90	57.7 Å²	57.7	74%	0.744	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-63.4	-24.3	-180	0	0	0	0	0	113	D163 G167	D163-A165 PolarHBondContact O-N 3.17Å; D163-A165 VanDerWaalsContact O-N 3.13Å; D163-A165 VanDerWaalsContact OD1-CB 3.29Å; D163-A165 WeakPolarHBondContact OD1-CB 3.35Å; D163-A165 PolarHBondContact OD1-N 3.21Å; A165-G167 VanDerWaalsContact C-N 3.34Å
166	N	92.9	Very high	94.9	Very high	65 Å²	65	57.2 Å²	57.2	35%	0.348	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-79.7	-14	175.5	-63.4	-73.2	0	0	0	113.3	V160 D163 E164 L168	V160-N166 PolarHBondContact O-ND2 2.93Å; V160-N166 VanDerWaalsContact O-ND2 3.15Å; D163-N166 WeakPolarHBondContact CB-ND2 3.37Å; D163-N166 VanDerWaalsContact CG-ND2 3.33Å; D163-N166 PolarHBondContact O-N 2.7Å; D163-N166 PolarHBondContact OD2-ND2 2.88Å; E164-N166 PolarHBondContact O-N 3.24Å; N166-L168 VanDerWaalsContact C-N 3.25Å; N166-L168 HydrophobicContact CB-CD1 4Å; N166-L168 HydrophobicContact CB-CG 3.92Å; N166-L168 PolarHBondContact O-N 3.02Å
167	G	93	Very high	95	Very high	32 Å²	32	57.2 Å²	57.2	33%	0.33	30%	0.302	S	S	.	.			trans	65.4	20.7	175.1	0	0	0	0	0	115.7	E164 A165	E164-G167 PolarHBondContact O-N 2.92Å; A165-G167 VanDerWaalsContact C-N 3.34Å
168	L	95	Very high	95	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.031	29%	0.287	C	S	.	.			trans	-84.6	-19.5	-172.4	-61.8	178	0	0	0	114.5	I125 T133 K134 I156 V160 L161 N166 P170	I125-L168 HydrophobicContact CG2-CB 4.29Å; I125-L168 HydrophobicContact CG2-CD2 4.21Å; T133-L168 WeakPolarHBondContact OG1-CD2 3.39Å; K134-L168 HydrophobicContact CG-CD1 3.92Å; K134-L168 HydrophobicContact CG-CD2 3.97Å; I156-L168 HydrophobicContact CD1-CD1 3.63Å; V160-L168 HydrophobicContact CG1-CD1 4.32Å; L161-L168 HydrophobicContact CD1-CB 4.16Å; L161-L168 HydrophobicContact CD1-CD1 4.47Å; N166-L168 VanDerWaalsContact C-N 3.25Å; N166-L168 HydrophobicContact CB-CD1 4Å; N166-L168 HydrophobicContact CB-CG 3.92Å; N166-L168 PolarHBondContact O-N 3.02Å; L168-P170 VanDerWaalsContact O-CD 3.3Å; L168-P170 WeakPolarHBondContact O-CD 3.34Å
169	L	95.2	Very high	95.1	Very high	32 Å²	32	51.2 Å²	51.2	17%	0.168	28%	0.281	C	S	.	.	S	Bend	trans	-119	62.5	-179.8	-63.7	179.1	0	0	0	112.2	F59 L161 M162 N171 D172 L174	F59-L169 HydrophobicContact CB-CD2 4.39Å; F59-L169 HydrophobicContact CD1-CD1 4.02Å; F59-L169 HydrophobicContact CD1-CD2 4.02Å; F59-L169 HydrophobicContact CG-CD2 4.39Å; L161-L169 HydrophobicContact CD1-CD2 3.98Å; L161-L169 HydrophobicContact CD1-CG 4.15Å; L161-L169 HydrophobicContact CG-CD1 4.36Å; L161-L169 HydrophobicContact CG-CD2 4.49Å; L161-L169 HydrophobicContact CG-CG 4.49Å; L161-L169 WeakPolarHBondContact O-CD1 3.45Å; L161-L169 WeakPolarHBondContact O-CG 3.29Å; M162-L169 HydrophobicContact SD-CD1 3.62Å; L169-N171 PolarHBondContact O-N 2.57Å; L169-D172 PolarHBondContact O-N 2.92Å; L169-L174 HydrophobicContact CD2-CB 3.65Å; L169-L174 HydrophobicContact CD2-CD1 4.14Å; L169-L174 HydrophobicContact CD2-CG 4.46Å
170	P	93.1	Very high	95.2	Very high	34 Å²	34	47.4 Å²	47.4	22%	0.221	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	108.4	-174.8	26.5	-35.7	0	0	0	112.7	A128 L168	A128-P170 HydrophobicContact CB-CB 3.95Å; L168-P170 VanDerWaalsContact O-CD 3.3Å; L168-P170 WeakPolarHBondContact O-CD 3.34Å
171	N	92.6	Very high	95.2	Very high	146 Å²	146	46.6 Å²	46.6	78%	0.781	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	43.8	-170.5	-41.2	-89.4	0	0	0	112.9	L169 R173	L169-N171 PolarHBondContact O-N 2.57Å; N171-R173 VanDerWaalsContact C-N 3.35Å; N171-R173 WeakPolarHBondContact O-CG 3.42Å; N171-R173 PolarHBondContact O-N 3.25Å
172	D	94.9	Very high	95.2	Very high	33 Å²	33	47.1 Å²	47.1	18%	0.176	26%	0.26	C	S	.	.	S	Bend	trans	53.4	46.8	-178.3	-166.4	17.1	0	0	0	113.5	N58 F59 S60 L169	N58-D172 WeakPolarHBondContact CA-O 3.18Å; N58-D172 WeakPolarHBondContact CA-OD2 3.26Å; N58-D172 PolarHBondContact N-O 2.88Å; F59-D172 WeakPolarHBondContact CA-OD1 3.28Å; F59-D172 WeakPolarHBondContact CB-OD1 3.49Å; F59-D172 PolarHBondContact N-O 3.49Å; F59-D172 VanDerWaalsContact N-O 3.13Å; F59-D172 PolarHBondContact N-OD1 3.4Å; F59-D172 PolarHBondContact N-OD2 3.26Å; S60-D172 WeakPolarHBondContact CB-OD2 3.18Å; S60-D172 PolarHBondContact N-OD1 3.08Å; S60-D172 PolarHBondContact N-OD2 2.94Å; S60-D172 VanDerWaalsContact N-OD2 3.12Å; S60-D172 PolarHBondContact OG-OD2 3.3Å; L169-D172 PolarHBondContact O-N 2.92Å
173	R	95.8	Very high	95.1	Very high	104 Å²	104	45.5 Å²	45.5	39%	0.392	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	98.7	-176.9	-73.8	164.1	178.8	-73.7	-13.1	111.5	T55 I56 S57 N171 T175	T55-R173 HydrophobicContact CG2-CB 4.06Å; T55-R173 HydrophobicContact CG2-CG 4.29Å; I56-R173 CarbonylContact O-C 3.46Å; I56-R173 VanDerWaalsContact O-CA 3.31Å; I56-R173 WeakPolarHBondContact O-CA 3.39Å; S57-R173 PolarHBondContact OG-NH1 2.83Å; N171-R173 VanDerWaalsContact C-N 3.35Å; N171-R173 WeakPolarHBondContact O-CG 3.42Å; N171-R173 PolarHBondContact O-N 3.25Å; R173-T175 PolarHBondContact O-N 2.79Å
174	L	97.4	Very high	94.8	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	113.2	167.2	179.4	55.5	0	0	0	109	T55 I56 F59 I89 L102 I125 L161 L169 I176	T55-L174 CarbonylContact C-O 3.55Å; T55-L174 WeakPolarHBondContact CA-O 3.47Å; I56-L174 PolarHBondContact N-O 2.71Å; I56-L174 PolarHBondContact O-N 2.73Å; I56-L174 VanDerWaalsContact O-N 3.12Å; F59-L174 HydrophobicContact CB-CB 4.12Å; F59-L174 HydrophobicContact CD1-CB 4.36Å; F59-L174 HydrophobicContact CD2-CB 3.87Å; F59-L174 HydrophobicContact CD2-CD2 3.86Å; F59-L174 HydrophobicContact CE1-CD2 4.31Å; F59-L174 HydrophobicContact CE2-CB 4.48Å; F59-L174 HydrophobicContact CE2-CD2 3.6Å; F59-L174 HydrophobicContact CG-CB 3.82Å; F59-L174 HydrophobicContact CG-CD2 4.34Å; F59-L174 HydrophobicContact CZ-CD2 3.87Å; I89-L174 HydrophobicContact CD1-CD2 4.34Å; L102-L174 HydrophobicContact CD1-CD2 3.56Å; I125-L174 HydrophobicContact CD1-CD1 4.23Å; I125-L174 HydrophobicContact CG1-CD1 4.3Å; I125-L174 HydrophobicContact CG2-CD1 4.18Å; L161-L174 HydrophobicContact CD1-CD1 4.13Å; L169-L174 HydrophobicContact CD2-CB 3.65Å; L169-L174 HydrophobicContact CD2-CD1 4.14Å; L169-L174 HydrophobicContact CD2-CG 4.46Å; L174-I176 HydrophobicContact CD1-CD1 3.71Å; L174-I176 HydrophobicContact CD1-CG1 4.46Å; L174-I176 HydrophobicContact CD2-CD1 4.34Å; L174-I176 HydrophobicContact CG-CD1 4.01Å; L174-I176 HydrophobicContact CG-CG1 4.25Å
175	T	97.7	Very high	94.5	Very high	19 Å²	19	40 Å²	40	12%	0.117	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	106.3	175.5	-60.2	0	0	0	0	110.3	V53 W54 T55 L126 R173	V53-T175 HydrophobicContact CG1-CG2 3.68Å; W54-T175 WeakPolarHBondContact O-CA 3.29Å; T55-T175 WeakPolarHBondContact CG2-OG1 3.48Å; T55-T175 WeakPolarHBondContact OG1-CG2 3.23Å; T55-T175 PolarHBondContact OG1-OG1 2.94Å; L126-T175 HydrophobicContact CB-CG2 4.04Å; L126-T175 HydrophobicContact CD1-CG2 3.93Å; L126-T175 HydrophobicContact CG-CG2 4.19Å; L126-T175 PolarHBondContact N-O 3.34Å; R173-T175 PolarHBondContact O-N 2.79Å
176	I	98.3	Very high	94.3	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129	174.6	-57.2	-55.1	0	0	0	109.3	V53 W54 L87 I89 L104 S124 I125 F155 L174	V53-I176 WeakPolarHBondContact CA-O 3.36Å; W54-I176 PolarHBondContact N-O 3.36Å; W54-I176 PolarHBondContact O-N 3.38Å; L87-I176 HydrophobicContact CD1-CG2 4.2Å; I89-I176 HydrophobicContact CD1-CG1 4.04Å; L104-I176 HydrophobicContact CD2-CD1 4.27Å; L104-I176 HydrophobicContact CD2-CG1 4.47Å; L104-I176 HydrophobicContact CD2-CG2 3.98Å; S124-I176 WeakPolarHBondContact O-CA 3.47Å; I125-I176 HydrophobicContact CG1-CD1 4.02Å; F155-I176 HydrophobicContact CE1-CD1 4.24Å; L174-I176 HydrophobicContact CD1-CD1 3.71Å; L174-I176 HydrophobicContact CD1-CG1 4.46Å; L174-I176 HydrophobicContact CD2-CD1 4.34Å; L174-I176 HydrophobicContact CG-CD1 4.01Å; L174-I176 HydrophobicContact CG-CG1 4.25Å
177	L	98	Very high	93.9	Very high	10 Å²	10	41 Å²	41	5%	0.052	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	119.4	158.9	168.1	64.8	0	0	0	108.7	K51 V53 F123 S124 L126 E132 E179	K51-L177 HydrophobicContact CB-CD1 4.05Å; K51-L177 HydrophobicContact CD-CD1 3.99Å; K51-L177 HydrophobicContact CD-CD2 4.29Å; K51-L177 HydrophobicContact CG-CD1 4.5Å; V53-L177 HydrophobicContact CG2-CB 4.47Å; V53-L177 HydrophobicContact CG2-CD1 3.68Å; F123-L177 CarbonylContact C-O 3.6Å; F123-L177 WeakPolarHBondContact CA-O 3.38Å; S124-L177 PolarHBondContact N-O 2.72Å; S124-L177 PolarHBondContact O-N 2.81Å; S124-L177 PolarHBondContact OG-O 3.33Å; L126-L177 HydrophobicContact CD1-CB 4.27Å; L126-L177 HydrophobicContact CD2-CB 3.95Å; L126-L177 HydrophobicContact CD2-CD2 4.2Å; L126-L177 HydrophobicContact CG-CB 4.04Å; E132-L177 HydrophobicContact CG-CD2 3.89Å; E132-L177 VanDerWaalsContact OE1-CD2 3.29Å; E132-L177 WeakPolarHBondContact OE1-CD2 3.47Å; L177-E179 HydrophobicContact CG-CG 4.5Å
178	C	98.1	Very high	93.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.5	168	174.9	0	0	0	0	109.9	K51 Y52 L87 K122 F123 V180	K51-C178 CarbonylContact C-O 3.57Å; K51-C178 WeakPolarHBondContact CA-O 3.45Å; Y52-C178 PolarHBondContact N-O 3.1Å; Y52-C178 PolarHBondContact O-N 2.7Å; L87-C178 HydrophobicContact CD1-CB 3.93Å; L87-C178 HydrophobicContact CD2-CB 4.06Å; L87-C178 HydrophobicContact CG-CB 4.5Å; K122-C178 CarbonylContact O-C 3.39Å; K122-C178 VanDerWaalsContact O-CA 3.28Å; K122-C178 WeakPolarHBondContact O-CA 3.27Å; F123-C178 HydrophobicContact CD1-CB 4.03Å; F123-C178 HydrophobicContact CE1-CB 4.36Å; C178-V180 VanDerWaalsContact SG-CG2 3.57Å
179	E	97.7	Very high	92.9	Very high	37 Å²	37	48.8 Å²	48.8	17%	0.173	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.5	164.8	-44.9	-168.5	-149.8	0	0	109.2	M50 K51 F121 K122 L177	M50-E179 WeakPolarHBondContact O-CA 3.13Å; K51-E179 HydrophobicContact CD-CG 3.9Å; K51-E179 WeakPolarHBondContact CE-OE1 3.22Å; K51-E179 WeakPolarHBondContact CE-OE2 3.46Å; K51-E179 HydrophobicContact CG-CB 4.45Å; K51-E179 HydrophobicContact CG-CG 3.96Å; K51-E179 IonicContact NZ-OE1 2.71Å; K51-E179 PolarHBondContact NZ-OE1 3.48Å; K51-E179 IonicContact NZ-OE2 3.37Å; K51-E179 PolarHBondContact NZ-OE2 2.73Å; F121-E179 CarbonylContact C-O 3.55Å; F121-E179 VanDerWaalsContact CA-O 3.25Å; F121-E179 WeakPolarHBondContact CA-O 3.33Å; K122-E179 HydrophobicContact CB-CB 4.19Å; K122-E179 HydrophobicContact CB-CG 4.45Å; K122-E179 HydrophobicContact CD-CG 4.48Å; K122-E179 PolarHBondContact N-O 2.84Å; K122-E179 IonicContact NZ-OE1 2.9Å; K122-E179 PolarHBondContact NZ-OE1 2.99Å; K122-E179 PolarHBondContact O-N 3.3Å; L177-E179 HydrophobicContact CG-CG 4.5Å
180	V	97	Very high	92.4	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.012	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127	176.2	-169.9	0	0	0	0	109.1	K49 M50 F75 L106 A119 K120 C178 V182	K49-V180 WeakPolarHBondContact CA-O 3.41Å; M50-V180 HydrophobicContact CE-CB 3.63Å; M50-V180 HydrophobicContact CE-CG1 3.92Å; M50-V180 HydrophobicContact CE-CG2 3.85Å; M50-V180 HydrophobicContact CG-CB 3.96Å; M50-V180 PolarHBondContact N-O 3Å; M50-V180 PolarHBondContact O-N 3.36Å; F75-V180 HydrophobicContact CE2-CG2 4.34Å; L106-V180 HydrophobicContact CD1-CG2 4.3Å; L106-V180 HydrophobicContact CD2-CG1 4.1Å; L106-V180 HydrophobicContact CD2-CG2 3.69Å; A119-V180 HydrophobicContact CB-CG1 3.89Å; K120-V180 WeakPolarHBondContact O-CA 3.45Å; C178-V180 VanDerWaalsContact SG-CG2 3.57Å; V180-V182 HydrophobicContact CG1-CG2 3.93Å
181	S	96.2	Very high	91.4	Very high	21 Å²	21	51.2 Å²	51.2	15%	0.147	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	94.9	175.6	-61.5	0	0	0	0	108.6	T48 K49 A119 K120	T48-S181 CarbonylContact O-C 3.6Å; T48-S181 WeakPolarHBondContact O-CA 3.37Å; K49-S181 WeakPolarHBondContact CE-OG 3.35Å; A119-S181 WeakPolarHBondContact CA-O 3.46Å; K120-S181 PolarHBondContact N-O 2.89Å; K120-S181 PolarHBondContact O-N 3.4Å
182	V	94.5	Very high	90.5	Very high	14 Å²	14	50.1 Å²	50.1	9%	0.085	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	132.1	-179.9	-174.3	0	0	0	0	109.6	V47 T48 L83 W85 A119 V180	V47-V182 WeakPolarHBondContact CA-O 3.22Å; T48-V182 PolarHBondContact N-O 3.41Å; T48-V182 PolarHBondContact O-N 3.02Å; L83-V182 HydrophobicContact CD1-CG1 3.89Å; W85-V182 HydrophobicContact CZ2-CG2 3.91Å; A119-V182 HydrophobicContact CB-CG2 4.22Å; V180-V182 HydrophobicContact CG1-CG2 3.93Å
183	V	92.6	Very high	89.2	Confident	46 Å²	46	53.3 Å²	53.3	28%	0.279	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	127.3	176.2	-175.4	0	0	0	0	109.4	V45 R118 A141	V45-V183 HydrophobicContact CG1-CG1 3.68Å; R118-V183 HydrophobicContact CB-CB 4.16Å; R118-V183 HydrophobicContact CB-CG2 4.12Å; R118-V183 PolarHBondContact O-N 3.47Å; A141-V183 HydrophobicContact CB-CG2 4.18Å
184	G	86.9	Confident	87.5	Confident	25 Å²	25	54.7 Å²	54.7	26%	0.258	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-153.3	178.9	0	0	0	0	0	112.7	R46	R46-G184 WeakPolarHBondContact O-CA 3.24Å; R46-G184 PolarHBondContact O-N 2.83Å
185	E	85.3	Confident	85.4	Confident	123 Å²	123	61.8 Å²	61.8	58%	0.575	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	148.5	177.4	-67.4	156.6	176.1	0	0	112.2	R46	R46-E185 WeakPolarHBondContact CB-O 3.22Å; R46-E185 PolarHBondContact N-O 3.5Å; R46-E185 IonicContact NH1-OE2 2.96Å; R46-E185 PolarHBondContact NH1-OE2 3.34Å
186	I	87.3	Confident	83.7	Confident	108 Å²	108	69.1 Å²	69.1	55%	0.554	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	117.4	171.3	-54.5	-176.3	0	0	0	107.4	T43 V45	T43-I186 HydrophobicContact CG2-CG2 3.33Å; V45-I186 HydrophobicContact CG1-CG1 4.35Å; V45-I186 HydrophobicContact CG2-CD1 4.33Å; V45-I186 HydrophobicContact CG2-CG1 4.13Å; V45-I186 HydrophobicContact CG2-CG2 4.35Å
187	L	84.4	Confident	81.9	Confident	67 Å²	67	75.2 Å²	75.2	35%	0.351	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.4	176.7	-61.1	-177	0	0	0	109.6	T43 Q44 R46	T43-L187 CarbonylContact C-O 3.52Å; T43-L187 WeakPolarHBondContact CA-O 3.28Å; Q44-L187 PolarHBondContact N-O 3.38Å; Q44-L187 PolarHBondContact O-N 3.23Å; R46-L187 VanDerWaalsContact CZ-CD1 3.47Å
188	S	86	Confident	80.6	Confident	76 Å²	76	81.4 Å²	81.4	53%	0.531	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	112	176.5	-67.6	0	0	0	0	109.9	H42 T43	H42-S188 WeakPolarHBondContact O-CA 3.38Å; T43-S188 WeakPolarHBondContact CG2-OG 3.21Å; T43-S188 PolarHBondContact OG1-OG 2.91Å
189	E	82.8	Confident	79.6	Confident	125 Å²	125	87.6 Å²	87.6	58%	0.584	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.6	170.2	-66.8	177.7	-168.7	0	0	108.5	W40 C41 H42	W40-E189 HydrophobicContact CH2-CB 4.24Å; W40-E189 HydrophobicContact CZ3-CB 3.95Å; W40-E189 WeakPolarHBondContact CZ3-O 3.12Å; C41-E189 CarbonylContact C-O 3.53Å; C41-E189 WeakPolarHBondContact CA-O 3.36Å; H42-E189 PolarHBondContact N-O 2.87Å; H42-E189 PolarHBondContact O-N 2.94Å
190	S	84.2	Confident	78.6	Confident	96 Å²	96	91.5 Å²	91.5	67%	0.671	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	151.1	174.5	63.2	0	0	0	0	111	W40	W40-S190 VanDerWaalsContact O-CA 3.28Å; W40-S190 WeakPolarHBondContact O-CA 3.34Å
191	G	72.5	Confident	77.8	Confident	21 Å²	21	96.8 Å²	96.8	22%	0.216	55%	0.55	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-159.2	162.9	-176.3	0	0	0	0	0	114	Y39 W40	Y39-G191 WeakPolarHBondContact CA-O 3.46Å; W40-G191 PolarHBondContact N-O 2.84Å; W40-G191 PolarHBondContact O-N 2.86Å
192	Q	73.6	Confident	77.1	Confident	124 Å²	124	104 Å²	104	58%	0.579	58%	0.582	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.9	149.9	171	-62.3	-180	-71.2	0	0	108.8	E38 Y39 N194	E38-Q192 WeakPolarHBondContact O-CA 3.45Å; Y39-Q192 HydrophobicContact CD1-CG 3.9Å; Y39-Q192 HydrophobicContact CE1-CG 3.92Å; Y39-Q192 VanDerWaalsContact CE1-NE2 3.29Å; Q192-N194 PolarHBondContact O-N 3.3Å; Q192-N194 VanDerWaalsContact O-N 3.16Å
193	V	67.1	Low	76.6	Confident	99 Å²	99	108.2 Å²	108.2	60%	0.6	61%	0.611	S	S	*	*	S	Bend	trans	-71.7	-9.4	-172.3	-177	0	0	0	0	113.7	A37 E38	A37-V193 VanDerWaalsContact O-CG2 3.25Å; A37-V193 WeakPolarHBondContact O-CG2 3.32Å; E38-V193 PolarHBondContact O-N 2.85Å
194	N	59	Low	76.4	Confident	134 Å²	134	109.8 Å²	109.8	72%	0.717	62%	0.618	S	S	*	*			trans	-110	111.4	172.6	-79.8	-33.5	0	0	0	111.7	Q192	Q192-N194 PolarHBondContact O-N 3.3Å; Q192-N194 VanDerWaalsContact O-N 3.16Å
195	N	53.2	Low	76.4	Confident	150 Å²	150	113.5 Å²	113.5	80%	0.802	63%	0.631	S	S	*	*				176.7	162	120.6	-88.4	-32.6	0	0	0	112
196	Q	62	Low	76.6	Confident	173 Å²	173	111 Å²	111	81%	0.808	62%	0.619	S	S	*	*			trans	-66.4	152.3	171.5	-68	175.1	-19.5	0	0	110.9	I198	Q196-I198 PolarHBondContact O-N 2.85Å
197	P	61.9	Low	76.7	Confident	129 Å²	129	111.1 Å²	111.1	84%	0.838	62%	0.618	S	S	*	*			trans	-65.2	105	176.3	26.8	-34.4	0	0	0	111	T199	P197-T199 PolarHBondContact O-N 2.92Å
198	I	71.1	Confident	76.9	Confident	139 Å²	139	113 Å²	113	71%	0.713	63%	0.628	S	S	*	*			trans	-76.2	114.5	175.5	-60	174.6	0	0	0	108.2	Q196 V200	Q196-I198 PolarHBondContact O-N 2.85Å; I198-V200 PolarHBondContact O-N 2.8Å
199	T	76.9	Confident	77.2	Confident	130 Å²	130	112 Å²	112	80%	0.798	62%	0.616	S	S	*	*			trans	-75.5	108.6	169.4	-53.5	0	0	0	0	108.6	P197	P197-T199 PolarHBondContact O-N 2.92Å
200	V	75.8	Confident	77.6	Confident	120 Å²	120	106.1 Å²	106.1	73%	0.727	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-79.2	125.4	175.7	-177.4	0	0	0	0	108.8	I198	I198-V200 PolarHBondContact O-N 2.8Å
201	P	80.7	Confident	77.9	Confident	112 Å²	112	103 Å²	103	73%	0.727	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-65.8	154.5	174.2	-21	33.7	0	0	0	112.7
202	E	81.2	Confident	78.8	Confident	174 Å²	174	105 Å²	105	81%	0.813	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-65.8	143.4	172.5	-63.7	-176.4	156.3	0	0	111.3	N204	E202-N204 PolarHBondContact O-N 3.12Å
203	C	84.1	Confident	79.7	Confident	101 Å²	101	99.9 Å²	99.9	68%	0.682	55%	0.549	S	S	*	.			trans	-93.6	83.3	-168.2	-170.6	0	0	0	0	112.4	L205	C203-L205 PolarHBondContact O-N 3.3Å; C203-L205 VanDerWaalsContact O-N 3.1Å
204	N	87.5	Confident	80.8	Confident	80 Å²	80	101.5 Å²	101.5	43%	0.428	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	15.9	-176	-60	-2.4	0	0	0	114.3	E202 H206 E207 D208	E202-N204 PolarHBondContact O-N 3.12Å; N204-H206 PolarHBondContact O-N 3.31Å; N204-E207 WeakPolarHBondContact O-CB 3.48Å; N204-E207 PolarHBondContact O-N 2.85Å; N204-D208 PolarHBondContact O-N 2.8Å
205	L	88.5	Confident	82.3	Confident	102 Å²	102	101.2 Å²	101.2	53%	0.534	54%	0.541	S	S	.	.	H	α-helix	trans	-55.2	-29.6	-174.2	-179.5	61.5	0	0	0	113.6	C203 E207 I209	C203-L205 PolarHBondContact O-N 3.3Å; C203-L205 VanDerWaalsContact O-N 3.1Å; L205-E207 VanDerWaalsContact C-N 3.33Å; L205-E207 PolarHBondContact O-N 3.03Å; L205-I209 HydrophobicContact CD1-CD1 3.96Å; L205-I209 HydrophobicContact CD1-CG1 4.15Å; L205-I209 HydrophobicContact CG-CD1 3.87Å; L205-I209 HydrophobicContact CG-CG1 4.44Å; L205-I209 WeakPolarHBondContact O-CB 3.44Å; L205-I209 VanDerWaalsContact O-CG1 3.3Å; L205-I209 WeakPolarHBondContact O-CG1 3.23Å; L205-I209 PolarHBondContact O-N 2.95Å
206	H	89.1	Confident	84	Confident	70 Å²	70	99.4 Å²	99.4	32%	0.324	53%	0.527	S	S	.	.	H	α-helix	trans	-70	-26.4	175.9	64	69.4	0	0	0	113.5	N204 G210	N204-H206 PolarHBondContact O-N 3.31Å; H206-G210 PolarHBondContact O-N 2.84Å
207	E	88.1	Confident	85.2	Confident	112 Å²	112	95.6 Å²	95.6	52%	0.523	51%	0.512	S	S	.	.	H	α-helix	trans	-80.5	-36.5	175.8	-51.3	-161.2	144.4	0	0	111.7	N204 L205 S211	N204-E207 WeakPolarHBondContact O-CB 3.48Å; N204-E207 PolarHBondContact O-N 2.85Å; L205-E207 VanDerWaalsContact C-N 3.33Å; L205-E207 PolarHBondContact O-N 3.03Å; E207-S211 VanDerWaalsContact O-CB 3.28Å; E207-S211 WeakPolarHBondContact O-CB 3Å; E207-S211 PolarHBondContact O-N 2.86Å; E207-S211 PolarHBondContact O-OG 2.9Å
208	D	90	Very high	86.5	Confident	107 Å²	107	97.1 Å²	97.1	57%	0.572	51%	0.512	S	S	*	.	H	α-helix	trans	-65.9	-45.6	173.6	-72.7	-40.9	0	0	0	111.3	N204 S211	N204-D208 PolarHBondContact O-N 2.8Å; D208-S211 WeakPolarHBondContact O-CB 3.45Å; D208-S211 PolarHBondContact O-N 3.12Å
209	I	91.5	Very high	87.6	Confident	55 Å²	55	92.3 Å²	92.3	28%	0.282	49%	0.489	S	S	.	.	H	α-helix	trans	-67	-46.3	174.5	-65.7	171.6	0	0	0	110.2	L205 S211 L212 I677 Y719	L205-I209 HydrophobicContact CD1-CD1 3.96Å; L205-I209 HydrophobicContact CD1-CG1 4.15Å; L205-I209 HydrophobicContact CG-CD1 3.87Å; L205-I209 HydrophobicContact CG-CG1 4.44Å; L205-I209 WeakPolarHBondContact O-CB 3.44Å; L205-I209 VanDerWaalsContact O-CG1 3.3Å; L205-I209 WeakPolarHBondContact O-CG1 3.23Å; L205-I209 PolarHBondContact O-N 2.95Å; I209-S211 PolarHBondContact O-N 2.91Å; I209-L212 WeakPolarHBondContact O-CB 3.27Å; I209-L212 PolarHBondContact O-N 2.99Å; I209-I677 HydrophobicContact CG2-CD1 4.3Å; I209-Y719 HydrophobicContact CG2-CD1 3.88Å; I209-Y719 HydrophobicContact CG2-CG 4.33Å; I209-Y719 WeakPolarHBondContact CG2-O 3.33Å; I209-Y719 WeakPolarHBondContact O-CD1 3.41Å
210	G	91.1	Very high	88.4	Confident	1 Å²	1	89.4 Å²	89.4	1%	0.01	47%	0.469	C	S	.	.	H	α-helix	trans	-55.6	-37.9	175	0	0	0	0	0	113.2	H206 L212 L213 F214	H206-G210 PolarHBondContact O-N 2.84Å; G210-L212 PolarHBondContact O-N 2.83Å; G210-L213 PolarHBondContact O-N 2.94Å; G210-F214 WeakPolarHBondContact O-CD2 2.91Å; G210-F214 PolarHBondContact O-N 3.06Å
211	S	91	Very high	89.2	Confident	31 Å²	31	83.8 Å²	83.8	22%	0.217	44%	0.435	C	S	.	.	H	α-helix	trans	-58	-31.1	175	-82.5	0	0	0	0	113.9	E207 D208 I209 K215	E207-S211 VanDerWaalsContact O-CB 3.28Å; E207-S211 WeakPolarHBondContact O-CB 3Å; E207-S211 PolarHBondContact O-N 2.86Å; E207-S211 PolarHBondContact O-OG 2.9Å; D208-S211 WeakPolarHBondContact O-CB 3.45Å; D208-S211 PolarHBondContact O-N 3.12Å; I209-S211 PolarHBondContact O-N 2.91Å; S211-K215 WeakPolarHBondContact O-CB 3.33Å; S211-K215 WeakPolarHBondContact O-CD 3.47Å; S211-K215 VanDerWaalsContact O-CG 3.25Å; S211-K215 WeakPolarHBondContact O-CG 3.45Å; S211-K215 PolarHBondContact O-N 2.9Å; S211-K215 PolarHBondContact OG-NZ 2.68Å; S211-K215 VanDerWaalsContact OG-NZ 3.08Å
212	L	91.8	Very high	89.9	Confident	61 Å²	61	80 Å²	80	32%	0.319	41%	0.409	S	S	.	.	H	α-helix	trans	-65.5	-42.8	178.3	-61.9	174.2	0	0	0	111.5	I209 G210 Q216 L217 I677	I209-L212 WeakPolarHBondContact O-CB 3.27Å; I209-L212 PolarHBondContact O-N 2.99Å; G210-L212 PolarHBondContact O-N 2.83Å; L212-Q216 PolarHBondContact O-N 2.73Å; L212-Q216 VanDerWaalsContact O-N 3.07Å; L212-L217 PolarHBondContact O-N 3.23Å; L212-I677 HydrophobicContact CD1-CD1 4.19Å
213	L	92	Very high	90.5	Very high	17 Å²	17	71.8 Å²	71.8	9%	0.089	37%	0.371	C	S	.	.	H	α-helix	trans	-63.8	-51.5	175.1	179.2	66	0	0	0	111.1	G210 K215 Q216 L715 Y719	G210-L213 PolarHBondContact O-N 2.94Å; L213-K215 VanDerWaalsContact C-N 3.32Å; L213-K215 PolarHBondContact O-N 2.78Å; L213-Q216 PolarHBondContact O-N 3.34Å; L213-L715 HydrophobicContact CD1-CB 4.47Å; L213-L715 HydrophobicContact CD2-CB 4.07Å; L213-Y719 HydrophobicContact CB-CD1 3.72Å; L213-Y719 HydrophobicContact CB-CD2 4.3Å; L213-Y719 HydrophobicContact CB-CE1 3.74Å; L213-Y719 HydrophobicContact CB-CE2 4.31Å; L213-Y719 HydrophobicContact CB-CG 3.99Å; L213-Y719 HydrophobicContact CD1-CE2 3.98Å; L213-Y719 HydrophobicContact CD2-CD2 3.98Å; L213-Y719 HydrophobicContact CD2-CE2 4.28Å; L213-Y719 HydrophobicContact CD2-CG 4.22Å; L213-Y719 HydrophobicContact CG-CE2 4.42Å
214	F	89.4	Confident	91	Very high	133 Å²	133	67 Å²	67	58%	0.583	34%	0.339	S	S	*	.	H	α-helix	trans	-68.2	-29	-175.1	-61.1	-52.4	0	0	0	113.8	G210 R716	G210-F214 WeakPolarHBondContact O-CD2 2.91Å; G210-F214 PolarHBondContact O-N 3.06Å; F214-R716 HydrophobicContact CE1-CG 4.1Å; F214-R716 HydrophobicContact CZ-CG 3.72Å
215	K	90.9	Very high	91.3	Very high	129 Å²	129	63.1 Å²	63.1	56%	0.561	32%	0.318	S	S	*	.	H	α-helix	trans	-94.8	-6.7	179.4	-61.7	165.6	-178.3	154.8	0	113.3	S211 L213 L217	S211-K215 WeakPolarHBondContact O-CB 3.33Å; S211-K215 WeakPolarHBondContact O-CD 3.47Å; S211-K215 VanDerWaalsContact O-CG 3.25Å; S211-K215 WeakPolarHBondContact O-CG 3.45Å; S211-K215 PolarHBondContact O-N 2.9Å; S211-K215 PolarHBondContact OG-NZ 2.68Å; S211-K215 VanDerWaalsContact OG-NZ 3.08Å; L213-K215 VanDerWaalsContact C-N 3.32Å; L213-K215 PolarHBondContact O-N 2.78Å; K215-L217 VanDerWaalsContact C-N 3.28Å; K215-L217 HydrophobicContact CB-CD1 3.79Å; K215-L217 HydrophobicContact CB-CG 3.72Å; K215-L217 HydrophobicContact CD-CD1 4.14Å; K215-L217 PolarHBondContact O-N 2.78Å
216	Q	90	Very high	91.5	Very high	111 Å²	111	58.4 Å²	58.4	52%	0.519	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	43.4	-179.5	-56.5	-177.8	-19	0	0	112.8	L212 L213 E672	L212-Q216 PolarHBondContact O-N 2.73Å; L212-Q216 VanDerWaalsContact O-N 3.07Å; L213-Q216 PolarHBondContact O-N 3.34Å; Q216-E672 HydrophobicContact CB-CB 4.14Å; Q216-E672 HydrophobicContact CG-CB 3.95Å
217	L	87.4	Confident	91.2	Very high	93 Å²	93	56.8 Å²	56.8	49%	0.487	29%	0.29	S	S	.	.			trans	-97.8	120.1	-176	-64.5	175.2	0	0	0	110.7	L212 K215 H674	L212-L217 PolarHBondContact O-N 3.23Å; K215-L217 VanDerWaalsContact C-N 3.28Å; K215-L217 HydrophobicContact CB-CD1 3.79Å; K215-L217 HydrophobicContact CB-CG 3.72Å; K215-L217 HydrophobicContact CD-CD1 4.14Å; K215-L217 PolarHBondContact O-N 2.78Å; L217-H674 PolarHBondContact O-NE2 3.24Å
218	L	89.2	Confident	90.1	Very high	161 Å²	161	55.9 Å²	55.9	84%	0.843	29%	0.289	S	S	*	.	S	Bend	trans	70.3	29.2	177.9	-47.9	174.5	0	0	0	115	H674	L218-H674 PolarHBondContact O-CD2 3.3Å; L218-H674 VanDerWaalsContact O-CD2 3.25Å
219	T	93.3	Very high	88.4	Confident	38 Å²	38	56.2 Å²	56.2	23%	0.233	29%	0.291	C	S	.	.			trans	-69.7	145	178	54.6	0	0	0	0	112.5	E672 A673	T219-E672 HydrophobicContact CG2-CB 3.87Å; T219-E672 PolarHBondContact OG1-OE2 3.43Å; T219-A673 CarbonylContact C-O 3.52Å; T219-A673 WeakPolarHBondContact CA-O 3.43Å; T219-A673 VanDerWaalsContact CB-O 3.24Å; T219-A673 WeakPolarHBondContact CB-O 3.34Å
220	D	93.1	Very high	86.2	Confident	70 Å²	70	58.4 Å²	58.4	37%	0.374	31%	0.308	S	S	.	.			trans	-132.6	4.8	-175.5	74.6	-26.6	0	0	0	113.5	A673 H674 K675 N699	D220-A673 PolarHBondContact N-O 3.18Å; D220-H674 WeakPolarHBondContact OD1-CA 3.43Å; D220-K675 WeakPolarHBondContact O-CE 3.35Å; D220-K675 PolarHBondContact OD1-N 3.06Å; D220-K675 WeakPolarHBondContact OD2-CB 3.37Å; D220-K675 WeakPolarHBondContact OD2-CG 3.34Å; D220-N699 WeakPolarHBondContact O-CB 3.44Å
221	V	94	Very high	83.7	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.006	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	134.5	172.6	57.2	0	0	0	0	112.4	L223 A673 K675 L678 F689 N699 V701	V221-L223 HydrophobicContact CG1-CD1 4.47Å; V221-A673 HydrophobicContact CG1-CB 4.24Å; V221-A673 PolarHBondContact N-O 3.23Å; V221-A673 PolarHBondContact O-N 3.01Å; V221-K675 HydrophobicContact CB-CG 3.75Å; V221-K675 HydrophobicContact CG1-CB 4.48Å; V221-K675 HydrophobicContact CG1-CG 3.62Å; V221-L678 HydrophobicContact CG1-CD1 3.77Å; V221-F689 HydrophobicContact CG1-CZ 4.3Å; V221-F689 HydrophobicContact CG2-CE1 4.06Å; V221-F689 HydrophobicContact CG2-CZ 3.96Å; V221-N699 WeakPolarHBondContact CA-O 3.33Å; V221-V701 HydrophobicContact CG2-CG2 3.99Å
222	T	94.6	Very high	81.1	Confident	32 Å²	32	70.2 Å²	70.2	20%	0.196	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	119.9	172	-45.8	0	0	0	0	110.5	V224 Q670 F671 E672 N699 R700 V701	T222-V224 HydrophobicContact CG2-CG2 3.75Å; T222-Q670 HydrophobicContact CG2-CB 4.13Å; T222-F671 CarbonylContact C-O 3.52Å; T222-F671 WeakPolarHBondContact CA-O 3.21Å; T222-E672 WeakPolarHBondContact CB-OE1 3.49Å; T222-E672 VanDerWaalsContact CG2-OE1 3.24Å; T222-E672 WeakPolarHBondContact CG2-OE1 3.42Å; T222-E672 PolarHBondContact OG1-OE1 3.08Å; T222-N699 PolarHBondContact N-O 3.03Å; T222-R700 VanDerWaalsContact O-CA 3.3Å; T222-R700 WeakPolarHBondContact O-CA 3.26Å; T222-V701 PolarHBondContact O-N 3Å
223	L	94.5	Very high	78.2	Confident	2 Å²	2	71.3 Å²	71.3	1%	0.01	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.2	169	-60.9	87.9	0	0	0	108.8	V221 Q670 F671 A673 L678 F685 V701 I703 L715	V221-L223 HydrophobicContact CG1-CD1 4.47Å; L223-Q670 CarbonylContact O-C 3.58Å; L223-Q670 WeakPolarHBondContact O-CA 3.41Å; L223-F671 HydrophobicContact CB-CB 4.41Å; L223-F671 PolarHBondContact N-O 3.26Å; L223-F671 PolarHBondContact O-N 3Å; L223-A673 HydrophobicContact CD1-CB 3.51Å; L223-L678 HydrophobicContact CD1-CD1 4.05Å; L223-F685 HydrophobicContact CD2-CE1 3.95Å; L223-F685 HydrophobicContact CD2-CZ 3.71Å; L223-V701 HydrophobicContact CG-CB 4.38Å; L223-I703 HydrophobicContact CB-CD1 4.39Å; L223-I703 HydrophobicContact CD2-CD1 4.12Å; L223-L715 HydrophobicContact CD1-CD2 4.38Å; L223-L715 HydrophobicContact CD2-CD2 4.23Å
224	V	94	Very high	75.4	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	111.4	-171.8	-176.3	0	0	0	0	109.6	T222 V226 V667 Q670 R700 V701 E702 I703	T222-V224 HydrophobicContact CG2-CG2 3.75Å; V224-V226 HydrophobicContact CG1-CG1 3.85Å; V224-V667 HydrophobicContact CG1-CB 4.29Å; V224-V667 HydrophobicContact CG1-CG1 3.68Å; V224-V667 HydrophobicContact CG1-CG2 3.73Å; V224-Q670 HydrophobicContact CG1-CG 4.14Å; V224-Q670 HydrophobicContact CG2-CG 4.06Å; V224-R700 HydrophobicContact CG2-CG 3.99Å; V224-V701 PolarHBondContact N-O 2.86Å; V224-E702 CarbonylContact O-C 3.52Å; V224-E702 WeakPolarHBondContact O-CA 3.44Å; V224-I703 PolarHBondContact O-N 2.7Å
225	V	93.9	Very high	72.6	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	127.9	175.8	-168.8	0	0	0	0	108.6	L668 R669 F671 I703 M706 P708 V711	V225-L668 HydrophobicContact CG1-CB 4.49Å; V225-L668 HydrophobicContact CG1-CD1 4.36Å; V225-L668 PolarHBondContact O-N 2.9Å; V225-R669 PolarHBondContact N-O 3.39Å; V225-R669 PolarHBondContact O-N 2.78Å; V225-F671 HydrophobicContact CG2-CD2 4.29Å; V225-F671 HydrophobicContact CG2-CE2 3.89Å; V225-I703 CarbonylContact C-O 3.59Å; V225-I703 WeakPolarHBondContact CA-O 3.19Å; V225-M706 VanDerWaalsContact CG1-O 3.26Å; V225-M706 WeakPolarHBondContact CG1-O 3.45Å; V225-P708 HydrophobicContact CB-CG 4.44Å; V225-P708 HydrophobicContact CG1-CG 4.02Å; V225-V711 HydrophobicContact CG2-CB 4.01Å; V225-V711 HydrophobicContact CG2-CG1 3.99Å; V225-V711 HydrophobicContact CG2-CG2 3.82Å
226	V	91.9	Very high	69.9	Low	3 Å²	3	81.5 Å²	81.5	2%	0.018	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	151.1	-174.9	-56	0	0	0	0	112.1	V224 N665 V666 V667 I703 T704	V224-V226 HydrophobicContact CG1-CG1 3.85Å; V226-N665 HydrophobicContact CB-CB 4Å; V226-N665 HydrophobicContact CG1-CB 4.41Å; V226-N665 HydrophobicContact CG2-CB 4.08Å; V226-V666 CarbonylContact C-O 3.5Å; V226-V666 VanDerWaalsContact CA-O 3.28Å; V226-V666 WeakPolarHBondContact CA-O 3.44Å; V226-V667 HydrophobicContact CG1-CG2 4.2Å; V226-I703 PolarHBondContact N-O 3.16Å; V226-T704 HydrophobicContact CG2-CG2 3.58Å
227	S	83.4	Confident	67.1	Low	36 Å²	36	81.3 Å²	81.3	25%	0.252	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.5	175.7	-164.9	0	0	0	0	111.9	N229 V666	S227-N229 PolarHBondContact O-N 3.02Å; S227-N229 VanDerWaalsContact O-N 3.14Å; S227-V666 PolarHBondContact N-O 3.16Å; S227-V666 PolarHBondContact O-N 2.91Å
228	N	66.1	Low	64.3	Low	92 Å²	92	83.4 Å²	83.4	49%	0.492	49%	0.49	S	S	.	.			trans	-85.2	51.8	175.4	-71.7	-1.1	0	0	0	112
229	N	53.6	Low	61.5	Low	115 Å²	115	81.4 Å²	81.4	62%	0.615	49%	0.488	S	S	*	.			trans	-115.7	115	178	-100.9	-57.9	0	0	0	111.8	S227	S227-N229 PolarHBondContact O-N 3.02Å; S227-N229 VanDerWaalsContact O-N 3.14Å
230	P	44.5	Very low	58.7	Low	100 Å²	100	84.6 Å²	84.6	65%	0.649	51%	0.512	S	S	*	.			trans	-69.9	147	170.4	30.5	-33.7	0	0	0	110.1	N232	P230-N232 PolarHBondContact O-N 2.76Å
231	P	38.4	Very low	55.9	Low	128 Å²	128	84.2 Å²	84.2	83%	0.831	51%	0.509	S	S	*	.	S	Bend	trans	-77.8	63.1	-175.5	32.8	-37.2	0	0	0	112.6
232	N	37.6	Very low	52.9	Low	153 Å²	153	87.6 Å²	87.6	82%	0.818	53%	0.533	S	S	*	.	S	Bend	trans	-168.6	79.1	163.5	-98.9	-37.7	0	0	0	113.9	P230 K234	P230-N232 PolarHBondContact O-N 2.76Å; N232-K234 PolarHBondContact O-N 3.28Å
233	G	31.1	Very low	50.1	Low	84 Å²	84	94.4 Å²	94.4	87%	0.866	56%	0.562	S	S	*	*			trans	58.9	32.7	132.6	0	0	0	0	0	120.5
234	K	32.6	Very low	47.1	Very low	190 Å²	190	99.8 Å²	99.8	83%	0.826	60%	0.595	S	S	*	*			trans	-136.2	103.5	165.6	-74.7	-165.9	176.2	-173.2	0	112	N232 L236	N232-K234 PolarHBondContact O-N 3.28Å; K234-L236 PolarHBondContact O-N 2.98Å
235	C	30.4	Very low	44.3	Very low	124 Å²	124	107.7 Å²	107.7	84%	0.838	63%	0.631	S	S	*	*			trans	-67.4	124.6	163.8	-57.3	0	0	0	0	108.9	S237	C235-S237 PolarHBondContact O-N 3.23Å
236	L	33.6	Very low	41.2	Very low	178 Å²	178	115.1 Å²	115.1	93%	0.932	67%	0.666	S	S	*	*			trans	-84.1	97.9	162.9	-86.2	164.2	0	0	0	107.5	K234 D238	K234-L236 PolarHBondContact O-N 2.98Å; L236-D238 PolarHBondContact O-N 2.64Å
237	S	31.1	Very low	38.5	Very low	107 Å²	107	123.1 Å²	123.1	75%	0.748	70%	0.703	S	S	*	*			trans	-76.5	101.3	173.4	54.5	0	0	0	0	110.2	C235	C235-S237 PolarHBondContact O-N 3.23Å
238	D	29.9	Very low	36	Very low	137 Å²	137	126 Å²	126	73%	0.733	72%	0.723	S	S	*	*	S	Bend	trans	-162.7	142.5	148.4	-92.8	-38.5	0	0	0	107.5	L236	L236-D238 PolarHBondContact O-N 2.64Å
239	C	30.9	Very low	34.1	Very low	119 Å²	119	127.6 Å²	127.6	80%	0.804	74%	0.74	S	S	*	*	S	Bend	trans	61	74.8	-171.3	-67.1	0	0	0	0	116
240	S	33.5	Very low	33.2	Very low	105 Å²	105	126.3 Å²	126.3	73%	0.734	75%	0.745	S	S	*	*			trans	-151.8	88.6	159.6	-68.4	0	0	0	0	111.1	S242	S240-S242 VanDerWaalsContact C-N 3.34Å; S240-S242 PolarHBondContact O-N 3.48Å
241	I	34.4	Very low	32.6	Very low	62 Å²	62	127.5 Å²	127.5	32%	0.318	76%	0.756	S	S	.	*			trans	-87.1	82.4	165.6	-60.8	178.2	0	0	0	106.7	D764	I241-D764 HydrophobicContact CG2-CB 3.82Å; I241-D764 VanDerWaalsContact CG2-CG 3.4Å; I241-D764 WeakPolarHBondContact CG2-OD1 3.39Å
242	S	31	Very low	32.3	Very low	73 Å²	73	124.3 Å²	124.3	51%	0.51	75%	0.747	S	S	.	*			trans	-158.8	63.1	-176.6	50.3	0	0	0	0	111.7	S240	S240-S242 VanDerWaalsContact C-N 3.34Å; S240-S242 PolarHBondContact O-N 3.48Å
243	H	34.7	Very low	32	Very low	174 Å²	174	126 Å²	126	81%	0.806	75%	0.749	S	S	*	*			trans	-135	79.6	168.4	-107.9	55.8	0	0	0	111.9	H245	H243-H245 PolarHBondContact O-N 2.79Å
244	V	33.3	Very low	32	Very low	115 Å²	115	126.9 Å²	126.9	70%	0.697	74%	0.738	S	S	*	*			trans	-62	129.4	163.7	176.5	0	0	0	0	108.9
245	H	33.6	Very low	31.9	Very low	167 Å²	167	125.6 Å²	125.6	77%	0.773	74%	0.739	S	S	*	*			trans	-133.1	111	162.9	-101.2	53.5	0	0	0	110.6	H243	H243-H245 PolarHBondContact O-N 2.79Å
246	Q	30.5	Very low	32.1	Very low	155 Å²	155	125.5 Å²	125.5	72%	0.724	74%	0.737	S	S	*	*			trans	-81.9	162.4	165.6	-68.2	-179.8	-21.8	0	0	110.2
247	H	34.5	Very low	31.9	Very low	172 Å²	172	120 Å²	120	80%	0.796	72%	0.723	S	S	*	*			trans	86.9	94.4	168.4	-59.7	-78.6	0	0	0	120.1
248	S	31.7	Very low	31.9	Very low	96 Å²	96	123.2 Å²	123.2	67%	0.671	73%	0.731	S	S	*	*				71	90.3	105.9	-175.9	0	0	0	0	120.7
249	C	25.5	Very low	32	Very low	126 Å²	126	121.9 Å²	121.9	85%	0.851	73%	0.732	S	S	*	*			trans	75.1	158.7	133.3	-57.2	0	0	0	0	121.5
250	A	33.4	Very low	31.9	Very low	88 Å²	88	120.4 Å²	120.4	73%	0.727	72%	0.723	S	S	*	*			trans	78.8	64.1	160.9	0	0	0	0	0	119.9
251	S	32.7	Very low	31.9	Very low	124 Å²	124	122.4 Å²	122.4	87%	0.867	73%	0.731	S	S	*	*				40.5	123.1	123.2	63	0	0	0	0	121.5
252	G	31.6	Very low	31.7	Very low	62 Å²	62	124.5 Å²	124.5	64%	0.639	74%	0.743	S	S	*	*			trans	147.9	110.2	135.3	0	0	0	0	0	118.6
253	H	32.8	Very low	31.7	Very low	187 Å²	187	128 Å²	128	87%	0.866	75%	0.751	S	S	*	*			trans	66.5	149.4	147.2	-64.2	-71.1	0	0	0	119.2
254	T	30	Very low	31.4	Very low	103 Å²	103	126.9 Å²	126.9	63%	0.632	75%	0.746	S	S	*	*			cis	-165.2	130.9	-17.2	-107.9	0	0	0	0	111.5
255	L	30.3	Very low	31.3	Very low	163 Å²	163	127.9 Å²	127.9	85%	0.853	75%	0.752	S	S	*	*			trans	65.3	160.5	157	-68.4	173.2	0	0	0	120.9
256	P	35.8	Very low	31.1	Very low	123 Å²	123	125.8 Å²	125.8	80%	0.799	75%	0.752	S	S	*	*			trans	-131.1	-164.7	-156.5	45.7	-29.5	0	0	0	114.2
257	G	28.5	Very low	31	Very low	62 Å²	62	126 Å²	126	64%	0.639	75%	0.75	S	S	*	*			trans	162.5	138.1	144.8	0	0	0	0	0	118.1
258	L	31.9	Very low	30.7	Very low	175 Å²	175	126.2 Å²	126.2	92%	0.916	75%	0.749	S	S	*	*			trans	70.8	141.4	152.9	-53.1	176.3	0	0	0	117.7
259	S	31.8	Very low	30.6	Very low	108 Å²	108	126.7 Å²	126.7	76%	0.755	75%	0.752	S	S	*	*			cis	-159.6	150.8	-8.4	44.5	0	0	0	0	111.6
260	S	28.1	Very low	30.7	Very low	88 Å²	88	124.8 Å²	124.8	62%	0.615	75%	0.745	S	S	*	*			trans	-63.7	147.8	173.9	174	0	0	0	0	113.1	N262	S260-N262 PolarHBondContact OG-OD1 3.4Å
261	V	34.5	Very low	30.7	Very low	147 Å²	147	131.6 Å²	131.6	89%	0.891	75%	0.754	S	S	*	*			trans	-125.4	128.5	139.3	-178.5	0	0	0	0	107.7
262	N	29	Very low	30.5	Very low	107 Å²	107	134.1 Å²	134.1	57%	0.572	75%	0.752	S	S	*	*			trans	-86.8	153.8	-174.1	-106	34.4	0	0	0	112.3	S260	S260-N262 PolarHBondContact OG-OD1 3.4Å
263	E	31.7	Very low	30.7	Very low	145 Å²	145	137 Å²	137	68%	0.678	76%	0.763	S	S	*	*			trans	58.7	163.1	136.4	-66.5	-178.9	113.3	0	0	119.3
264	Q	28.4	Very low	30.6	Very low	151 Å²	151	133.8 Å²	133.8	71%	0.706	76%	0.756	S	S	*	*			cis	-153	166.7	-4.8	-128.7	172.1	50.2	0	0	106.3
265	V	31.5	Very low	30.8	Very low	137 Å²	137	132.6 Å²	132.6	83%	0.83	76%	0.764	S	S	*	*				172.8	133.9	127.7	149.6	0	0	0	0	108.7
266	T	28.8	Very low	30.9	Very low	123 Å²	123	132.5 Å²	132.5	76%	0.755	76%	0.76	S	S	*	*			trans	-97.1	165.4	176.4	50.3	0	0	0	0	111.2
267	K	29.1	Very low	31.3	Very low	159 Å²	159	136 Å²	136	69%	0.691	77%	0.765	S	S	*	*				125.9	139.9	117	-149.1	-180	-171.8	-178	0	115.4
268	F	28.6	Very low	31.7	Very low	177 Å²	177	139.4 Å²	139.4	78%	0.776	77%	0.769	S	S	*	*			trans	67.4	151.9	166.3	-68.9	-49.1	0	0	0	117.3
269	S	29.7	Very low	32.1	Very low	106 Å²	106	139.7 Å²	139.7	74%	0.741	77%	0.765	S	S	*	*			cis	-146.9	163.1	-6.9	39.8	0	0	0	0	111
270	A	27.7	Very low	32.4	Very low	85 Å²	85	141.7 Å²	141.7	70%	0.702	77%	0.768	S	S	*	*			trans	-67.3	163.3	173.1	0	0	0	0	0	112.8
271	Y	32.9	Very low	32.7	Very low	232 Å²	232	144.5 Å²	144.5	91%	0.91	78%	0.776	S	S	*	*			trans	-136.3	133.4	148.5	-120.4	-86.1	0	0	0	108.5
272	E	28.7	Very low	32.9	Very low	176 Å²	176	144.7 Å²	144.7	82%	0.822	77%	0.771	S	S	*	*			trans	-90.7	153.2	175.5	-65.5	163.5	127.7	0	0	109.8
273	S	35.8	Very low	33.1	Very low	124 Å²	124	144.2 Å²	144.2	87%	0.867	77%	0.769	S	S	*	*			trans	-145.9	111.1	153.8	-169.8	0	0	0	0	107.4
274	T	30.1	Very low	33.4	Very low	119 Å²	119	143.5 Å²	143.5	73%	0.73	77%	0.765	S	S	*	*			trans	-76.8	142.9	173.8	44.4	0	0	0	0	110
275	G	34.5	Very low	33.6	Very low	78 Å²	78	138.4 Å²	138.4	80%	0.804	75%	0.753	S	S	*	*			trans	-137.4	107.9	165.1	0	0	0	0	0	106.8
276	E	32.9	Very low	34	Very low	161 Å²	161	136.3 Å²	136.3	75%	0.752	73%	0.734	S	S	*	*			trans	-95	124.2	178	-66.9	158.7	141.3	0	0	107.4
277	E	42.8	Very low	34.4	Very low	197 Å²	197	137.9 Å²	137.9	92%	0.921	73%	0.733	S	S	*	*			trans	-130.9	123.1	160	-69.6	-170	163.2	0	0	106.2
278	D	38.3	Very low	35.2	Very low	133 Å²	133	134.7 Å²	134.7	71%	0.711	72%	0.719	S	S	*	*			trans	-98	168.1	-165	-58.3	-70.8	0	0	0	113
279	E	38.8	Very low	35.8	Very low	180 Å²	180	130.7 Å²	130.7	84%	0.841	71%	0.706	S	S	*	*			trans	55.8	133.8	151.2	-70	165.9	179.7	0	0	118
280	D	37.6	Very low	36.5	Very low	150 Å²	150	132.4 Å²	132.4	80%	0.802	71%	0.707	S	S	*	*			cis	-140.3	166.9	35	-95.1	-50.8	0	0	0	113.7
281	D	34.4	Very low	37.4	Very low	148 Å²	148	135.4 Å²	135.4	79%	0.791	71%	0.706	S	S	*	*			trans	-69.1	158.5	177.9	-61.8	-60.4	0	0	0	114.5
282	L	40.5	Very low	38.2	Very low	150 Å²	150	125.7 Å²	125.7	79%	0.785	67%	0.67	S	S	*	*				-172.4	108.4	123.8	-101.5	167.5	0	0	0	111.6
283	D	32.5	Very low	39.1	Very low	98 Å²	98	122.9 Å²	122.9	52%	0.524	66%	0.66	S	S	.	*			trans	-86.9	127.2	156.9	-73.3	-55.3	0	0	0	108.6	S510 S511	D283-S510 WeakPolarHBondContact OD1-CA 3.35Å; D283-S510 WeakPolarHBondContact OD1-CB 3.38Å; D283-S511 PolarHBondContact OD1-N 2.94Å; D283-S511 WeakPolarHBondContact OD2-CB 3.43Å
284	E	38	Very low	39.6	Very low	130 Å²	130	123 Å²	123	61%	0.607	65%	0.652	S	S	*	*			trans	-113.6	157.5	155.7	-63.5	-163.9	132.7	0	0	108.5	S507 S508 S509	E284-S507 CarbonylContact C-O 3.59Å; E284-S507 WeakPolarHBondContact CB-O 3.37Å; E284-S508 PolarHBondContact O-OG 3.49Å; E284-S509 WeakPolarHBondContact O-CA 3.38Å; E284-S509 WeakPolarHBondContact O-CB 3.22Å; E284-S509 PolarHBondContact O-N 3.05Å
285	G	32.7	Very low	40.7	Very low	43 Å²	43	119.3 Å²	119.3	44%	0.443	63%	0.626	S	S	.	*			trans	-90	133.4	-154.6	0	0	0	0	0	118.5	E287 S507 S509	G285-E287 PolarHBondContact O-N 2.84Å; G285-S507 PolarHBondContact N-O 3.27Å; G285-S507 CarbonylContact O-C 3.59Å; G285-S507 WeakPolarHBondContact O-CA 3.35Å; G285-S507 WeakPolarHBondContact O-CB 3.48Å; G285-S507 PolarHBondContact O-N 3.24Å; G285-S509 VanDerWaalsContact CA-CB 3.41Å
286	E	38.8	Very low	41.5	Very low	94 Å²	94	117.2 Å²	117.2	44%	0.439	60%	0.595	S	S	.	*			trans	-90.3	100.7	-171.2	-170.7	80	-32.9	0	0	109.5	D506 S507 S508 S509	E286-D506 VanDerWaalsContact OE1-C 3.26Å; E286-D506 VanDerWaalsContact OE1-O 3.08Å; E286-S507 PolarHBondContact OE1-N 2.88Å; E286-S508 VanDerWaalsContact OE1-CA 3.27Å; E286-S508 WeakPolarHBondContact OE1-CA 3.12Å; E286-S508 PolarHBondContact OE1-N 2.86Å; E286-S509 WeakPolarHBondContact CB-O 3.32Å; E286-S509 PolarHBondContact N-OG 3.32Å; E286-S509 VanDerWaalsContact N-OG 3.11Å
287	E	39	Very low	42.3	Very low	155 Å²	155	114.5 Å²	114.5	72%	0.724	59%	0.586	S	S	*	*			trans	-148.6	61.5	-166.4	-155.4	151.8	-127.9	0	0	107.3	G285 D289 D506	G285-E287 PolarHBondContact O-N 2.84Å; E287-D289 PolarHBondContact O-N 2.88Å; E287-D506 CarbonylContact C-O 3.58Å; E287-D506 VanDerWaalsContact C-O 3.25Å; E287-D506 PolarHBondContact N-O 3.02Å
288	F	45.4	Very low	42.7	Very low	92 Å²	92	110.1 Å²	110.1	40%	0.404	57%	0.565	S	S	.	*			trans	-50.5	113.3	171.1	-96.5	-109.8	0	0	0	107.8	D290 L501 P502 T505 D506	F288-D290 PolarHBondContact O-N 3.29Å; F288-L501 HydrophobicContact CD1-CD1 4.13Å; F288-L501 HydrophobicContact CD1-CD2 4.1Å; F288-L501 HydrophobicContact CE1-CB 4.47Å; F288-L501 HydrophobicContact CE1-CD2 4.32Å; F288-P502 HydrophobicContact CE1-CG 4.33Å; F288-P502 HydrophobicContact CZ-CG 4.4Å; F288-T505 WeakPolarHBondContact CE1-O 3.49Å; F288-T505 WeakPolarHBondContact CE2-O 3.49Å; F288-T505 WeakPolarHBondContact CZ-O 3.43Å; F288-D506 VanDerWaalsContact CD2-O 3.22Å; F288-D506 WeakPolarHBondContact CD2-O 3.33Å; F288-D506 PolarHBondContact N-O 2.94Å
289	D	40.9	Very low	43.4	Very low	93 Å²	93	105 Å²	105	50%	0.497	54%	0.538	S	S	.	.			trans	-64.6	99.6	179.7	-78.3	-47.7	0	0	0	110	E287 E291	E287-D289 PolarHBondContact O-N 2.88Å; D289-E291 HydrophobicContact CB-CG 4.3Å; D289-E291 PolarHBondContact O-N 3.06Å
290	D	43.1	Very low	44.1	Very low	142 Å²	142	101.1 Å²	101.1	76%	0.759	52%	0.52	S	S	*	.			trans	-68.6	33.3	171.3	-73.5	-36.2	0	0	0	112.1	F288 D292	F288-D290 PolarHBondContact O-N 3.29Å; D290-D292 PolarHBondContact O-N 2.75Å; D290-D292 VanDerWaalsContact O-N 3.17Å
291	E	46.6	Very low	45	Very low	149 Å²	149	99.8 Å²	99.8	70%	0.696	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	1.1	177.4	-68.4	-163.8	149.1	0	0	113	D289	D289-E291 HydrophobicContact CB-CG 4.3Å; D289-E291 PolarHBondContact O-N 3.06Å
292	D	50	Low	46	Very low	28 Å²	28	97.3 Å²	97.3	15%	0.15	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-34.6	-177.4	-101.1	48.4	0	0	0	115	D290 P495 S498	D290-D292 PolarHBondContact O-N 2.75Å; D290-D292 VanDerWaalsContact O-N 3.17Å; D292-P495 HydrophobicContact CB-CB 4.1Å; D292-P495 HydrophobicContact CB-CG 3.9Å; D292-P495 WeakPolarHBondContact O-CG 3.05Å; D292-P495 WeakPolarHBondContact OD1-CB 3.37Å; D292-P495 VanDerWaalsContact OD2-CB 3.3Å; D292-P495 WeakPolarHBondContact OD2-CB 2.8Å; D292-S498 WeakPolarHBondContact OD1-CA 3.44Å; D292-S498 WeakPolarHBondContact OD1-CB 3.47Å; D292-S498 PolarHBondContact OD1-N 2.82Å; D292-S498 PolarHBondContact OD1-OG 3Å; D292-S498 VanDerWaalsContact OD2-CB 3.23Å; D292-S498 WeakPolarHBondContact OD2-CB 3.3Å; D292-S498 PolarHBondContact OD2-OG 3.05Å
293	D	47.6	Very low	46.7	Very low	116 Å²	116	92.5 Å²	92.5	62%	0.62	47%	0.466	S	S	*	.	H	α-helix	trans	-74.8	-29.9	-170.5	-86.1	-13.4	0	0	0	112.2	E295 E296 D297	D293-E295 VanDerWaalsContact C-N 3.33Å; D293-E295 PolarHBondContact O-N 3.46Å; D293-E296 PolarHBondContact O-N 2.68Å; D293-D297 PolarHBondContact O-N 2.91Å
294	D	47.9	Very low	47.6	Very low	127 Å²	127	89.9 Å²	89.9	68%	0.679	45%	0.452	S	S	*	.	H	α-helix	trans	-62.2	-35.4	179.7	-89.1	-20	0	0	0	112.3	D297 E298	D294-D297 PolarHBondContact O-N 3.45Å; D294-E298 PolarHBondContact O-N 3.36Å
295	E	52.9	Low	48.5	Very low	42 Å²	42	90.6 Å²	90.6	20%	0.196	46%	0.455	C	S	.	.	H	α-helix	trans	-81.7	-18.7	177.5	-84.6	-179.6	123.3	0	0	113.4	D293 D299 G492 V494 P495	D293-E295 VanDerWaalsContact C-N 3.33Å; D293-E295 PolarHBondContact O-N 3.46Å; E295-D299 PolarHBondContact O-N 2.71Å; E295-G492 PolarHBondContact OE1-N 3.48Å; E295-V494 WeakPolarHBondContact CB-O 3.47Å; E295-V494 VanDerWaalsContact CD-C 3.41Å; E295-V494 WeakPolarHBondContact OE2-CB 3.28Å; E295-V494 WeakPolarHBondContact OE2-CG1 3.3Å; E295-P495 HydrophobicContact CB-CG 4.08Å
296	E	50.9	Low	49.6	Very low	33 Å²	33	90.7 Å²	90.7	15%	0.154	45%	0.45	C	S	.	.	H	α-helix	trans	-70.9	-35.8	166.1	-74.1	-151.5	165.5	0	0	111.5	R143 K148 D293 D299 E300	R143-E296 IonicContact CZ-OE1 2.72Å; R143-E296 IonicContact NE-OE1 2.67Å; R143-E296 IonicContact NH2-OE1 2.75Å; R143-E296 PolarHBondContact NH2-OE1 3.06Å; K148-E296 IonicContact NZ-OE2 2.78Å; K148-E296 PolarHBondContact NZ-OE2 3.24Å; D293-E296 PolarHBondContact O-N 2.68Å; E296-D299 PolarHBondContact O-N 2.58Å; E296-E300 PolarHBondContact O-N 3.49Å
297	D	48.8	Very low	50.4	Low	105 Å²	105	89.3 Å²	89.3	56%	0.561	44%	0.443	S	S	*	.	H	α-helix	trans	-73.5	-30.6	173.6	-97.3	10.9	0	0	0	112.4	D293 D294 Q301	D293-D297 PolarHBondContact O-N 2.91Å; D294-D297 PolarHBondContact O-N 3.45Å; D297-Q301 WeakPolarHBondContact O-CG 3.36Å; D297-Q301 PolarHBondContact O-N 3.37Å; D297-Q301 PolarHBondContact O-NE2 2.85Å
298	E	51.4	Low	51	Low	104 Å²	104	90.1 Å²	90.1	49%	0.486	44%	0.44	S	S	.	.	H	α-helix	trans	-68.7	-36	168.6	-76.1	-155.3	175.1	0	0	112.5	D294 Q301 Q302	D294-E298 PolarHBondContact O-N 3.36Å; E298-Q301 PolarHBondContact O-N 2.73Å; E298-Q302 WeakPolarHBondContact O-CB 3.4Å; E298-Q302 WeakPolarHBondContact O-CG 3.33Å; E298-Q302 PolarHBondContact O-N 2.9Å
299	D	53.3	Low	51.4	Low	27 Å²	27	91.9 Å²	91.9	14%	0.144	45%	0.449	C	S	.	.	H	α-helix	trans	-61	-46.7	174.8	-100.5	15.6	0	0	0	111.2	R140 E295 E296 Q301 Q302 E303 S493	R140-D299 IonicContact CZ-OD2 2.72Å; R140-D299 IonicContact NH1-OD2 3.59Å; R140-D299 PolarHBondContact NH1-OD2 2.76Å; R140-D299 IonicContact NH2-OD2 3.34Å; R140-D299 PolarHBondContact NH2-OD2 3.25Å; E295-D299 PolarHBondContact O-N 2.71Å; E296-D299 PolarHBondContact O-N 2.58Å; D299-Q301 VanDerWaalsContact C-N 3.35Å; D299-Q301 PolarHBondContact O-N 2.83Å; D299-Q302 PolarHBondContact O-N 3.02Å; D299-E303 PolarHBondContact O-N 3.45Å; D299-S493 PolarHBondContact OD1-OG 2.68Å
300	E	54.7	Low	52.1	Low	98 Å²	98	94.7 Å²	94.7	46%	0.458	46%	0.459	S	S	.	.	H	α-helix	trans	-64.4	-36.4	175.5	-82.1	-150.4	178.9	0	0	112.7	E296 N304	E296-E300 PolarHBondContact O-N 3.49Å; E300-N304 PolarHBondContact O-N 3.33Å; E300-N304 VanDerWaalsContact O-N 3.1Å; E300-N304 PolarHBondContact O-ND2 3.21Å
301	Q	54.8	Low	52.4	Low	122 Å²	122	93.5 Å²	93.5	57%	0.57	45%	0.453	S	S	*	.	H	α-helix	trans	-68.3	-42	176.7	-75.9	171.3	94.4	0	0	111.7	D297 E298 D299 N304 E305	D297-Q301 WeakPolarHBondContact O-CG 3.36Å; D297-Q301 PolarHBondContact O-N 3.37Å; D297-Q301 PolarHBondContact O-NE2 2.85Å; E298-Q301 PolarHBondContact O-N 2.73Å; D299-Q301 VanDerWaalsContact C-N 3.35Å; D299-Q301 PolarHBondContact O-N 2.83Å; Q301-N304 PolarHBondContact O-N 3.38Å; Q301-E305 PolarHBondContact O-N 2.86Å
302	Q	56.4	Low	52.6	Low	96 Å²	96	90.4 Å²	90.4	45%	0.449	44%	0.444	S	S	.	.	H	α-helix	trans	-65.9	-38.1	175.8	-76.2	-178.8	72.7	0	0	112.4	E298 D299 E305 S306	E298-Q302 WeakPolarHBondContact O-CB 3.4Å; E298-Q302 WeakPolarHBondContact O-CG 3.33Å; E298-Q302 PolarHBondContact O-N 2.9Å; D299-Q302 PolarHBondContact O-N 3.02Å; Q302-E305 PolarHBondContact O-N 3.09Å; Q302-S306 VanDerWaalsContact O-CB 3.29Å; Q302-S306 WeakPolarHBondContact O-CB 3.11Å; Q302-S306 PolarHBondContact O-N 3.18Å; Q302-S306 PolarHBondContact O-OG 3.28Å
303	E	55.3	Low	52.5	Low	48 Å²	48	93.2 Å²	93.2	22%	0.224	46%	0.456	C	S	.	.	H	α-helix	trans	-62.3	-45.9	172.7	-72.9	-172.5	-158.4	0	0	110.7	R140 Y142 D299 E305 S306 E307	R140-E303 IonicContact NE-OE1 2.76Å; R140-E303 IonicContact NH2-OE1 2.9Å; R140-E303 PolarHBondContact NH2-OE1 3.08Å; Y142-E303 PolarHBondContact OH-OE1 2.97Å; Y142-E303 PolarHBondContact OH-OE2 3.36Å; D299-E303 PolarHBondContact O-N 3.45Å; E303-E305 PolarHBondContact O-N 3.39Å; E303-S306 PolarHBondContact O-N 2.88Å; E303-S306 PolarHBondContact O-OG 3.26Å; E303-E307 PolarHBondContact O-N 3.16Å
304	N	52.1	Low	52.6	Low	44 Å²	44	90.7 Å²	90.7	24%	0.235	45%	0.448	C	S	.	.	H	α-helix	trans	-64.2	-34.1	176.1	-82.7	-89.9	0	0	0	114.3	K154 E300 Q301 R308	K154-N304 PolarHBondContact NZ-OD1 3.13Å; E300-N304 PolarHBondContact O-N 3.33Å; E300-N304 VanDerWaalsContact O-N 3.1Å; E300-N304 PolarHBondContact O-ND2 3.21Å; Q301-N304 PolarHBondContact O-N 3.38Å; N304-R308 PolarHBondContact O-N 3.3Å
305	E	57	Low	52.6	Low	144 Å²	144	87.9 Å²	87.9	67%	0.673	44%	0.438	S	S	*	.	H	α-helix	trans	-73.5	-36.9	172.6	-71.7	-156.9	142.4	0	0	111.7	Q301 Q302 E303 R308 E309	Q301-E305 PolarHBondContact O-N 2.86Å; Q302-E305 PolarHBondContact O-N 3.09Å; E303-E305 PolarHBondContact O-N 3.39Å; E305-R308 WeakPolarHBondContact O-CB 2.93Å; E305-R308 PolarHBondContact O-N 3Å; E305-R308 VanDerWaalsContact O-N 3.14Å; E305-E309 PolarHBondContact O-N 3.17Å
306	S	54.1	Low	52.3	Low	46 Å²	46	93.3 Å²	93.3	32%	0.322	46%	0.458	S	S	.	.	H	α-helix	trans	-66.6	-40.5	177.1	76.4	0	0	0	0	112.7	Q302 E303 R308 E309 E310	Q302-S306 VanDerWaalsContact O-CB 3.29Å; Q302-S306 WeakPolarHBondContact O-CB 3.11Å; Q302-S306 PolarHBondContact O-N 3.18Å; Q302-S306 PolarHBondContact O-OG 3.28Å; E303-S306 PolarHBondContact O-N 2.88Å; E303-S306 PolarHBondContact O-OG 3.26Å; S306-R308 PolarHBondContact O-N 2.75Å; S306-E309 PolarHBondContact O-N 3.43Å; S306-E310 PolarHBondContact O-N 3.24Å
307	E	56.5	Low	52.1	Low	65 Å²	65	99.1 Å²	99.1	30%	0.304	48%	0.478	S	S	.	.	H	α-helix	trans	-57.4	-40	170.4	-74.1	-171.9	158.1	0	0	110.6	E303 E310 D311	E303-E307 PolarHBondContact O-N 3.16Å; E307-E310 PolarHBondContact O-N 2.53Å; E307-D311 WeakPolarHBondContact O-CB 3.16Å; E307-D311 PolarHBondContact O-N 2.97Å
308	R	52.4	Low	52.2	Low	172 Å²	172	100.4 Å²	100.4	65%	0.649	48%	0.481	S	S	*	.	H	α-helix	trans	-70.1	-37.3	179.5	-156.4	-176.4	-156.5	112.2	5.9	112.7	N304 E305 S306 T312	N304-R308 PolarHBondContact O-N 3.3Å; E305-R308 WeakPolarHBondContact O-CB 2.93Å; E305-R308 PolarHBondContact O-N 3Å; E305-R308 VanDerWaalsContact O-N 3.14Å; S306-R308 PolarHBondContact O-N 2.75Å; R308-T312 WeakPolarHBondContact O-CB 3.14Å; R308-T312 WeakPolarHBondContact O-CG2 3.44Å; R308-T312 PolarHBondContact O-N 3.28Å; R308-T312 VanDerWaalsContact O-N 3.12Å; R308-T312 PolarHBondContact O-OG1 3.13Å
309	E	51.8	Low	52.1	Low	129 Å²	129	98.1 Å²	98.1	60%	0.603	48%	0.476	S	S	*	.	H	α-helix	trans	-72.5	-35.6	172.7	-72.9	-148	158	0	0	112.4	E305 S306 T312 Q313	E305-E309 PolarHBondContact O-N 3.17Å; S306-E309 PolarHBondContact O-N 3.43Å; E309-T312 PolarHBondContact O-OG1 3.01Å; E309-Q313 WeakPolarHBondContact O-CB 3.3Å; E309-Q313 VanDerWaalsContact O-CG 3.25Å; E309-Q313 WeakPolarHBondContact O-CG 3.41Å; E309-Q313 PolarHBondContact O-N 2.74Å
310	E	55.7	Low	51.9	Low	152 Å²	152	101 Å²	101	71%	0.71	49%	0.489	S	S	*	.	H	α-helix	trans	-71.1	-43.8	174.4	-73.7	-142.7	130.7	0	0	112.3	S306 E307 T312 Q313 S314	S306-E310 PolarHBondContact O-N 3.24Å; E307-E310 PolarHBondContact O-N 2.53Å; E310-T312 VanDerWaalsContact C-N 3.34Å; E310-T312 PolarHBondContact O-N 2.85Å; E310-Q313 PolarHBondContact O-N 3.47Å; E310-S314 WeakPolarHBondContact O-CB 3.06Å; E310-S314 PolarHBondContact O-N 3.38Å
311	D	49.9	Very low	51.5	Low	116 Å²	116	101.9 Å²	101.9	62%	0.62	50%	0.496	S	S	*	.	H	α-helix	trans	-60.5	-43	174.4	-100.5	-6.9	0	0	0	111.3	E307 S314 S315	E307-D311 WeakPolarHBondContact O-CB 3.16Å; E307-D311 PolarHBondContact O-N 2.97Å; D311-S314 PolarHBondContact O-N 2.89Å; D311-S315 WeakPolarHBondContact O-CB 3.25Å; D311-S315 PolarHBondContact O-N 2.92Å
312	T	50.7	Low	51	Low	84 Å²	84	100.1 Å²	100.1	52%	0.515	49%	0.494	S	S	.	.	H	α-helix	trans	-73.2	-36.1	177.5	53.9	0	0	0	0	112.8	R308 E309 E310 Y316	R308-T312 WeakPolarHBondContact O-CB 3.14Å; R308-T312 WeakPolarHBondContact O-CG2 3.44Å; R308-T312 PolarHBondContact O-N 3.28Å; R308-T312 VanDerWaalsContact O-N 3.12Å; R308-T312 PolarHBondContact O-OG1 3.13Å; E309-T312 PolarHBondContact O-OG1 3.01Å; E310-T312 VanDerWaalsContact C-N 3.34Å; E310-T312 PolarHBondContact O-N 2.85Å; T312-Y316 WeakPolarHBondContact O-CB 3Å; T312-Y316 PolarHBondContact O-N 2.96Å
313	Q	48.3	Very low	50.4	Low	88 Å²	88	101.2 Å²	101.2	41%	0.411	50%	0.502	S	S	.	.	H	α-helix	trans	-70.1	-31.8	172.1	-78.2	-171.8	48.3	0	0	112.9	E309 E310 R317	E309-Q313 WeakPolarHBondContact O-CB 3.3Å; E309-Q313 VanDerWaalsContact O-CG 3.25Å; E309-Q313 WeakPolarHBondContact O-CG 3.41Å; E309-Q313 PolarHBondContact O-N 2.74Å; E310-Q313 PolarHBondContact O-N 3.47Å; Q313-R317 WeakPolarHBondContact O-CB 3.45Å; Q313-R317 VanDerWaalsContact O-CG 3.23Å; Q313-R317 WeakPolarHBondContact O-CG 3.2Å; Q313-R317 PolarHBondContact O-N 2.74Å
314	S	48.9	Very low	49.7	Very low	62 Å²	62	104.6 Å²	104.6	43%	0.434	52%	0.521	S	S	.	.	H	α-helix	trans	-67.6	-54.4	173.8	-172.4	0	0	0	0	109.6	E310 D311 Y316 R317 E318	E310-S314 WeakPolarHBondContact O-CB 3.06Å; E310-S314 PolarHBondContact O-N 3.38Å; D311-S314 PolarHBondContact O-N 2.89Å; S314-Y316 VanDerWaalsContact C-N 3.29Å; S314-Y316 PolarHBondContact O-N 3.04Å; S314-R317 PolarHBondContact O-N 2.86Å; S314-R317 VanDerWaalsContact O-N 3.09Å; S314-E318 PolarHBondContact O-N 3.07Å
315	S	47.7	Very low	49.4	Very low	68 Å²	68	108.2 Å²	108.2	48%	0.476	55%	0.545	S	S	.	.	H	α-helix	trans	-55	-40.5	174	-177.4	0	0	0	0	112.8	D311 S319	D311-S315 WeakPolarHBondContact O-CB 3.25Å; D311-S315 PolarHBondContact O-N 2.92Å; S315-S319 VanDerWaalsContact O-CB 3.23Å; S315-S319 WeakPolarHBondContact O-CB 3.23Å; S315-S319 PolarHBondContact O-N 3.28Å; S315-S319 PolarHBondContact O-OG 2.62Å
316	Y	46.9	Very low	48.8	Very low	156 Å²	156	108.6 Å²	108.6	61%	0.612	55%	0.546	S	S	*	.	H	α-helix	trans	-78.2	-28.3	178.8	-156.7	-118.7	0	0	0	113.1	T312 S314 Q320	T312-Y316 WeakPolarHBondContact O-CB 3Å; T312-Y316 PolarHBondContact O-N 2.96Å; S314-Y316 VanDerWaalsContact C-N 3.29Å; S314-Y316 PolarHBondContact O-N 3.04Å; Y316-Q320 WeakPolarHBondContact O-CB 3.27Å; Y316-Q320 PolarHBondContact O-N 2.76Å
317	R	46.5	Very low	48	Very low	156 Å²	156	114 Å²	114	59%	0.589	57%	0.571	S	S	*	*	H	α-helix	trans	-70.2	-45.7	169	-83.4	180	174	103.1	1.8	111.2	Q313 S314 Q320 L321	Q313-R317 WeakPolarHBondContact O-CB 3.45Å; Q313-R317 VanDerWaalsContact O-CG 3.23Å; Q313-R317 WeakPolarHBondContact O-CG 3.2Å; Q313-R317 PolarHBondContact O-N 2.74Å; S314-R317 PolarHBondContact O-N 2.86Å; S314-R317 VanDerWaalsContact O-N 3.09Å; R317-Q320 PolarHBondContact O-N 3.1Å; R317-L321 WeakPolarHBondContact O-CB 3.22Å; R317-L321 VanDerWaalsContact O-CG 3.24Å; R317-L321 WeakPolarHBondContact O-CG 2.99Å; R317-L321 PolarHBondContact O-N 2.68Å
318	E	52.7	Low	47	Very low	132 Å²	132	113.8 Å²	113.8	62%	0.617	59%	0.587	S	S	*	*	H	α-helix	trans	-61.5	-44.1	173.1	-72.7	-167.2	126.7	0	0	111.1	S314 Q320 L321 T322	S314-E318 PolarHBondContact O-N 3.07Å; E318-Q320 PolarHBondContact O-N 3Å; E318-L321 PolarHBondContact O-N 3.04Å; E318-T322 WeakPolarHBondContact O-CB 3.37Å; E318-T322 PolarHBondContact O-N 3.01Å; E318-T322 PolarHBondContact O-OG1 2.91Å
319	S	49.2	Very low	46.2	Very low	56 Å²	56	113.7 Å²	113.7	39%	0.392	60%	0.598	S	S	.	*	H	α-helix	trans	-62	-43.8	177	-61.3	0	0	0	0	112.3	S315 T322 L323	S315-S319 VanDerWaalsContact O-CB 3.23Å; S315-S319 WeakPolarHBondContact O-CB 3.23Å; S315-S319 PolarHBondContact O-N 3.28Å; S315-S319 PolarHBondContact O-OG 2.62Å; S319-T322 PolarHBondContact O-N 2.79Å; S319-L323 PolarHBondContact O-N 3.5Å
320	Q	48	Very low	45.3	Very low	86 Å²	86	116.4 Å²	116.4	40%	0.402	61%	0.61	S	S	.	*	H	α-helix	trans	-73.7	-34.5	176.2	-80	-166.5	64.2	0	0	113.4	Y316 R317 E318 T322 L323 L324	Y316-Q320 WeakPolarHBondContact O-CB 3.27Å; Y316-Q320 PolarHBondContact O-N 2.76Å; R317-Q320 PolarHBondContact O-N 3.1Å; E318-Q320 PolarHBondContact O-N 3Å; Q320-T322 VanDerWaalsContact C-N 3.27Å; Q320-T322 PolarHBondContact O-N 2.89Å; Q320-L323 PolarHBondContact O-N 3.48Å; Q320-L324 HydrophobicContact CB-CD1 4.47Å; Q320-L324 WeakPolarHBondContact O-CB 3.22Å; Q320-L324 VanDerWaalsContact O-CG 3.22Å; Q320-L324 WeakPolarHBondContact O-CG 3.45Å; Q320-L324 PolarHBondContact O-N 2.81Å
321	L	45.5	Very low	44.3	Very low	118 Å²	118	117.6 Å²	117.6	62%	0.618	62%	0.62	S	S	*	*	H	α-helix	trans	-68.6	-28.3	173.7	-75.3	166.6	0	0	0	111.7	R317 E318 V325	R317-L321 WeakPolarHBondContact O-CB 3.22Å; R317-L321 VanDerWaalsContact O-CG 3.24Å; R317-L321 WeakPolarHBondContact O-CG 2.99Å; R317-L321 PolarHBondContact O-N 2.68Å; E318-L321 PolarHBondContact O-N 3.04Å; L321-V325 WeakPolarHBondContact O-CB 3.22Å; L321-V325 WeakPolarHBondContact O-CG2 3.44Å; L321-V325 PolarHBondContact O-N 2.85Å
322	T	45.6	Very low	43.5	Very low	85 Å²	85	117.1 Å²	117.1	52%	0.521	63%	0.632	S	S	.	*	H	α-helix	trans	-70.3	-52.3	170.4	-52.7	0	0	0	0	110.3	E318 S319 Q320 L324 V325	E318-T322 WeakPolarHBondContact O-CB 3.37Å; E318-T322 PolarHBondContact O-N 3.01Å; E318-T322 PolarHBondContact O-OG1 2.91Å; S319-T322 PolarHBondContact O-N 2.79Å; Q320-T322 VanDerWaalsContact C-N 3.27Å; Q320-T322 PolarHBondContact O-N 2.89Å; T322-L324 PolarHBondContact O-N 3.31Å; T322-V325 PolarHBondContact O-N 2.84Å
323	L	43.9	Very low	42.8	Very low	118 Å²	118	118 Å²	118	62%	0.618	64%	0.642	S	S	*	*	H	α-helix	trans	-64.9	-33.5	-179.4	-79.7	162.5	0	0	0	114.4	S319 Q320 V325	S319-L323 PolarHBondContact O-N 3.5Å; Q320-L323 PolarHBondContact O-N 3.48Å; L323-V325 VanDerWaalsContact C-N 3.31Å
324	L	40.6	Very low	42.1	Very low	119 Å²	119	121.7 Å²	121.7	62%	0.623	66%	0.664	S	S	*	*	H	α-helix	trans	-83.6	-2.9	179	-66.9	170.7	0	0	0	113.8	Q320 T322	Q320-L324 HydrophobicContact CB-CD1 4.47Å; Q320-L324 WeakPolarHBondContact O-CB 3.22Å; Q320-L324 VanDerWaalsContact O-CG 3.22Å; Q320-L324 WeakPolarHBondContact O-CG 3.45Å; Q320-L324 PolarHBondContact O-N 2.81Å; T322-L324 PolarHBondContact O-N 3.31Å
325	V	45.5	Very low	41.4	Very low	120 Å²	120	122.5 Å²	122.5	73%	0.727	68%	0.683	S	S	*	*	H	α-helix	trans	-96.5	-20.6	172.5	166.4	0	0	0	0	112	L321 T322 L323	L321-V325 WeakPolarHBondContact O-CB 3.22Å; L321-V325 WeakPolarHBondContact O-CG2 3.44Å; L321-V325 PolarHBondContact O-N 2.85Å; T322-V325 PolarHBondContact O-N 2.84Å; L323-V325 VanDerWaalsContact C-N 3.31Å
326	E	44.1	Very low	40.9	Very low	152 Å²	152	126.2 Å²	126.2	71%	0.71	70%	0.697	S	S	*	*	H	α-helix	trans	-88.7	-34	-179.2	-64.3	-170.5	138.8	0	0	113.9
327	D	38.4	Very low	40.5	Very low	159 Å²	159	124.2 Å²	124.2	85%	0.85	70%	0.697	S	S	*	*	S	Bend	trans	-111.7	71.5	179.4	-91.9	-40.2	0	0	0	112.5
328	G	33.8	Very low	40.1	Very low	61 Å²	61	122.6 Å²	122.6	63%	0.629	70%	0.7	S	S	*	*			trans	-148	-22.4	-170.4	0	0	0	0	0	121
329	I	36.1	Very low	39.5	Very low	171 Å²	171	122.1 Å²	122.1	88%	0.877	70%	0.702	S	S	*	*			trans	-131.6	89.5	-172.7	-52	-178.2	0	0	0	112.1
330	H	32.9	Very low	39	Very low	186 Å²	186	126.1 Å²	126.1	86%	0.861	72%	0.719	S	S	*	*			trans	-137.7	60.5	174.5	-162.9	-66.2	0	0	0	112.7
331	L	34.3	Very low	38.5	Very low	176 Å²	176	127.7 Å²	127.7	92%	0.921	73%	0.73	S	S	*	*			trans	-149.7	90.7	172.9	-103.3	174.1	0	0	0	112.4
332	A	34.1	Very low	38.1	Very low	106 Å²	106	129.3 Å²	129.3	88%	0.876	74%	0.735	S	S	*	*			trans	-144.6	132.2	164.5	0	0	0	0	0	109.2
333	S	35	Very low	37.6	Very low	102 Å²	102	134 Å²	134	71%	0.713	75%	0.75	S	S	*	*			trans	-145.8	152.6	-174	-174.2	0	0	0	0	112
334	N	35.5	Very low	37.1	Very low	166 Å²	166	131.6 Å²	131.6	89%	0.888	75%	0.754	S	S	*	*			trans	65.3	133.4	-175.3	-63.6	-28.8	0	0	0	116.1
335	G	34.1	Very low	36.8	Very low	79 Å²	79	135 Å²	135	81%	0.814	77%	0.767	S	S	*	*			trans	-170.9	-24.4	-178.2	0	0	0	0	0	117.2
336	N	37.1	Very low	36.4	Very low	146 Å²	146	133.1 Å²	133.1	78%	0.781	76%	0.764	S	S	*	*			trans	75.5	138.7	170.1	-115.1	15.2	0	0	0	119.8
337	N	37.8	Very low	35.9	Very low	114 Å²	114	135 Å²	135	61%	0.61	77%	0.773	S	S	*	*			trans	76.3	97.9	143.8	-65.6	-8.4	0	0	0	123.2
338	N	38.8	Very low	35.7	Very low	122 Å²	122	131.7 Å²	131.7	65%	0.652	77%	0.767	S	S	*	*				85.4	107.8	110.5	-65.4	-1.6	0	0	0	122.1
339	N	39.7	Very low	35.9	Very low	122 Å²	122	133 Å²	133	65%	0.652	77%	0.772	S	S	*	*				90.9	119.1	115.3	-67.8	7.6	0	0	0	121.2
340	N	39	Very low	35.8	Very low	141 Å²	141	131.6 Å²	131.6	75%	0.754	77%	0.772	S	S	*	*				76.3	149.2	129.9	-62.6	12.6	0	0	0	119.4
341	N	37.1	Very low	36	Very low	119 Å²	119	126.9 Å²	126.9	64%	0.636	77%	0.765	S	S	*	*			cis	-167.9	162.1	-30.6	-155.7	24.6	0	0	0	108.1
342	E	37.6	Very low	36.2	Very low	152 Å²	152	124.1 Å²	124.1	71%	0.71	76%	0.756	S	S	*	*			trans	60.9	167	158.1	-71.4	152.4	126	0	0	119.2
343	Q	34.2	Very low	36.4	Very low	183 Å²	183	126.4 Å²	126.4	86%	0.855	75%	0.748	S	S	*	*			cis	-166.2	148.7	-46.5	-169.8	154.4	-51.6	0	0	110
344	G	33.9	Very low	36.3	Very low	67 Å²	67	132.4 Å²	132.4	69%	0.691	76%	0.755	S	S	*	*			trans	81.9	170.3	167.1	0	0	0	0	0	116.3
345	E	34.4	Very low	36.2	Very low	192 Å²	192	128.3 Å²	128.3	90%	0.897	74%	0.744	S	S	*	*			cis	-165.5	166	-10.2	-145	167.7	-145.2	0	0	110.8
346	A	36.4	Very low	36.2	Very low	80 Å²	80	132.1 Å²	132.1	66%	0.661	75%	0.745	S	S	*	*			trans	63.7	127.6	163.1	0	0	0	0	0	119.4
347	E	34.4	Very low	36	Very low	192 Å²	192	131 Å²	131	90%	0.897	74%	0.743	S	S	*	*				73.7	150.8	82.4	-69.8	-169.6	155.4	0	0	115.8
348	A	34.1	Very low	35.8	Very low	88 Å²	88	131.5 Å²	131.5	73%	0.727	75%	0.75	S	S	*	*			cis	-172.9	176.1	-24.2	0	0	0	0	0	110.5
349	A	37.6	Very low	35.5	Very low	89 Å²	89	132.1 Å²	132.1	74%	0.736	75%	0.753	S	S	*	*			trans	72.6	117.3	162	0	0	0	0	0	120
350	T	33.4	Very low	35.2	Very low	142 Å²	142	132.7 Å²	132.7	87%	0.871	76%	0.757	S	S	*	*				61	138.5	91.8	5.8	0	0	0	0	115.8
351	A	37.8	Very low	35	Very low	87 Å²	87	132.7 Å²	132.7	72%	0.719	76%	0.756	S	S	*	*			cis	-152.6	-162.4	14.1	0	0	0	0	0	110.3
352	T	38.2	Very low	34.9	Very low	118 Å²	118	136.1 Å²	136.1	72%	0.724	77%	0.768	S	S	*	*			cis	-163.3	169.4	12.2	-162.8	0	0	0	0	114.4
353	H	38.5	Very low	34.8	Very low	153 Å²	153	133.4 Å²	133.4	71%	0.708	77%	0.772	S	S	*	*			trans	43.3	111.8	158.2	-82.5	-139.9	0	0	0	124.5
354	R	33.1	Very low	34.9	Very low	229 Å²	229	129.6 Å²	129.6	86%	0.864	77%	0.766	S	S	*	*				29.8	145.3	110.5	-75.1	-170	163.9	119.1	-3.2	120.5
355	A	32.7	Very low	34.9	Very low	80 Å²	80	131.9 Å²	131.9	66%	0.661	77%	0.771	S	S	*	*			cis	-175.1	159.7	-8.6	0	0	0	0	0	110.9
356	L	34	Very low	34.8	Very low	159 Å²	159	128.4 Å²	128.4	83%	0.832	76%	0.763	S	S	*	*			trans	157.9	121.5	132.1	-85.3	166.4	0	0	0	113.4
357	V	33.1	Very low	34.6	Very low	123 Å²	123	129.2 Å²	129.2	75%	0.745	76%	0.764	S	S	*	*			trans	73.6	145.8	143.5	179.7	0	0	0	0	120.4
358	T	34.5	Very low	34.6	Very low	124 Å²	124	125 Å²	125	76%	0.761	76%	0.755	S	S	*	*			trans	78.6	129.6	170.4	31.2	0	0	0	0	121
359	N	32.2	Very low	34.7	Very low	134 Å²	134	129.6 Å²	129.6	72%	0.717	76%	0.761	S	S	*	*			trans	80	135.1	156.1	-71.1	35.6	0	0	0	122.8
360	D	33.3	Very low	34.6	Very low	135 Å²	135	130.3 Å²	130.3	72%	0.722	76%	0.759	S	S	*	*			trans	67.9	118.9	155.7	-51.2	-34.6	0	0	0	122.9
361	N	34	Very low	34.6	Very low	140 Å²	140	129.7 Å²	129.7	75%	0.749	75%	0.75	S	S	*	*			trans	27.1	115.1	142.9	-60	-28.6	0	0	0	120.5
362	H	36.5	Very low	34.4	Very low	192 Å²	192	132.2 Å²	132.2	89%	0.889	75%	0.746	S	S	*	*				174.3	132.4	104.9	-100.4	-69.8	0	0	0	114.9
363	A	34.9	Very low	34.1	Very low	94 Å²	94	134.3 Å²	134.3	78%	0.777	75%	0.748	S	S	*	*			trans	-171.9	140.4	147.3	0	0	0	0	0	108.1
364	S	35.1	Very low	33.6	Very low	104 Å²	104	134 Å²	134	73%	0.727	75%	0.751	S	S	*	*			cis	-167.1	156.1	-5	49.2	0	0	0	0	111.1
365	S	34.7	Very low	33.4	Very low	115 Å²	115	128.6 Å²	128.6	80%	0.804	74%	0.743	S	S	*	*			trans	72.7	145.5	170.5	84	0	0	0	0	116.3
366	T	32.8	Very low	33.3	Very low	118 Å²	118	133.1 Å²	133.1	72%	0.724	75%	0.75	S	S	*	*			cis	-137.2	175.7	5.4	51.3	0	0	0	0	113
367	S	32.4	Very low	33.2	Very low	98 Å²	98	130.5 Å²	130.5	69%	0.685	74%	0.741	S	S	*	*			trans	59.8	104.5	160.5	41.9	0	0	0	0	118.3
368	S	33.4	Very low	33.2	Very low	102 Å²	102	133.1 Å²	133.1	71%	0.713	75%	0.747	S	S	*	*				72	130.2	78.8	69.1	0	0	0	0	114.5
369	H	36.4	Very low	33.1	Very low	186 Å²	186	131.8 Å²	131.8	86%	0.861	74%	0.743	S	S	*	*			cis	-144.1	171.1	8.3	-110.1	-35.4	0	0	0	111.5
370	P	36.3	Very low	33.1	Very low	104 Å²	104	129.5 Å²	129.5	68%	0.675	74%	0.737	S	S	*	*			trans	-104.8	142.2	-163.9	39.7	-35.8	0	0	0	116.9
371	N	32.9	Very low	33	Very low	129 Å²	129	127.4 Å²	127.4	69%	0.69	73%	0.73	S	S	*	*				14.5	151.8	108.9	-89.8	-24.5	0	0	0	118.8
372	H	33.5	Very low	32.9	Very low	139 Å²	139	125.2 Å²	125.2	64%	0.644	72%	0.717	S	S	*	*			cis	-171.6	179.4	24.7	-132.2	-6.9	0	0	0	114.1
373	Q	31.8	Very low	32.8	Very low	163 Å²	163	121.9 Å²	121.9	76%	0.762	71%	0.711	S	S	*	*			trans	71.8	122.5	158.5	-70.3	167.4	88.1	0	0	118
374	L	27.6	Very low	32.8	Very low	147 Å²	147	123 Å²	123	77%	0.77	71%	0.71	S	S	*	*				82	122.1	55.3	-92.2	104.1	0	0	0	115
375	T	29.5	Very low	32.6	Very low	114 Å²	114	122.1 Å²	122.1	70%	0.699	71%	0.709	S	S	*	*				172.9	146	112.8	30.6	0	0	0	0	113.8
376	H	30.5	Very low	32.5	Very low	175 Å²	175	122.5 Å²	122.5	81%	0.81	71%	0.707	S	S	*	*			trans	64.9	157.9	152.3	-69.4	-46.2	0	0	0	118.7
377	V	32.6	Very low	32.3	Very low	104 Å²	104	122.3 Å²	122.3	63%	0.63	71%	0.706	S	S	*	*			cis	-158.2	144.3	1.8	104.4	0	0	0	0	112.6
378	M	33.2	Very low	32.1	Very low	178 Å²	178	123 Å²	123	88%	0.877	71%	0.706	S	S	*	*			trans	58.6	159.7	153.1	-68.3	171.2	-171.7	0	0	121.7
379	S	31.9	Very low	32	Very low	96 Å²	96	125.2 Å²	125.2	67%	0.671	71%	0.71	S	S	*	*			cis	-168.9	144.7	-24.3	-179.3	0	0	0	0	113.5
380	S	32	Very low	31.7	Very low	86 Å²	86	123.1 Å²	123.1	60%	0.601	70%	0.703	S	S	*	*			trans	61.7	129.5	142.5	59.8	0	0	0	0	125.2
381	T	30.8	Very low	31.6	Very low	92 Å²	92	123.6 Å²	123.6	56%	0.564	71%	0.707	S	S	*	*			trans	71	139.4	144.4	40.7	0	0	0	0	120.4	S19	S19-T381 PolarHBondContact OG-O 2.97Å
382	L	33.2	Very low	31.4	Very low	93 Å²	93	123.7 Å²	123.7	49%	0.487	71%	0.712	S	S	.	*			cis	-154.2	158.3	25.1	-119.5	152.7	0	0	0	111.9
383	T	33.5	Very low	31.4	Very low	123 Å²	123	126.6 Å²	126.6	76%	0.755	72%	0.723	S	S	*	*			trans	-99	-175.7	164.9	50.5	0	0	0	0	109.2
384	P	35.6	Very low	31.5	Very low	117 Å²	117	122.3 Å²	122.3	76%	0.76	72%	0.722	S	S	*	*			cis	-145	-178	14.1	45.1	-24.4	0	0	0	119.3
385	A	30	Very low	31.6	Very low	86 Å²	86	122.8 Å²	122.8	71%	0.711	72%	0.724	S	S	*	*			trans	-20.8	165.6	160.9	0	0	0	0	0	121.6
386	T	31.8	Very low	31.9	Very low	123 Å²	123	124.7 Å²	124.7	76%	0.755	73%	0.728	S	S	*	*				148.7	100.2	125.8	-61.1	0	0	0	0	114.1
387	T	29.1	Very low	31.9	Very low	114 Å²	114	121.4 Å²	121.4	70%	0.699	72%	0.72	S	S	*	*			trans	64.7	125.8	132	-48.3	0	0	0	0	122.4
388	T	28.1	Very low	32.2	Very low	112 Å²	112	122 Å²	122	69%	0.687	73%	0.727	S	S	*	*			trans	57.1	132	158.1	55.4	0	0	0	0	120.7
389	N	31.5	Very low	32.3	Very low	149 Å²	149	121.2 Å²	121.2	80%	0.797	72%	0.724	S	S	*	*				-174	159.1	95	-100.4	-67.7	0	0	0	114.3
390	I	29.7	Very low	32.2	Very low	141 Å²	141	121.3 Å²	121.3	72%	0.723	73%	0.731	S	S	*	*			trans	-83	131.8	175.1	-58.4	163.8	0	0	0	109.5	T392	I390-T392 PolarHBondContact O-N 3.04Å
391	P	35.7	Very low	32.3	Very low	115 Å²	115	122 Å²	122	75%	0.747	74%	0.735	S	S	*	*			trans	-91.5	69.7	173.9	36	-33.9	0	0	0	112.3	K393	P391-K393 VanDerWaalsContact C-N 3.33Å; P391-K393 PolarHBondContact O-N 3Å
392	T	27.7	Very low	32.6	Very low	131 Å²	131	123.2 Å²	123.2	80%	0.804	74%	0.743	S	S	*	*			trans	-75.4	87.4	165.7	-50.1	0	0	0	0	109.3	I390	I390-T392 PolarHBondContact O-N 3.04Å
393	K	34.9	Very low	32.6	Very low	200 Å²	200	126 Å²	126	87%	0.87	76%	0.758	S	S	*	*			trans	-139.8	142.5	173	-68.4	-175.4	-179.8	177.3	0	109.9	P391	P391-K393 VanDerWaalsContact C-N 3.33Å; P391-K393 PolarHBondContact O-N 3Å
394	G	32.5	Very low	32.9	Very low	73 Å²	73	125.2 Å²	125.2	75%	0.753	76%	0.755	S	S	*	*			cis	-161.5	162.3	-0.4	0	0	0	0	0	113.3
395	I	31	Very low	32.8	Very low	156 Å²	156	125.5 Å²	125.5	80%	0.8	76%	0.76	S	S	*	*			trans	-72.8	135.9	-177.9	-65.5	160.7	0	0	0	110.4	V397	I395-V397 HydrophobicContact CG2-CB 4.28Å; I395-V397 HydrophobicContact CG2-CG2 3.85Å
396	I	34	Very low	33.2	Very low	155 Å²	155	126.6 Å²	126.6	80%	0.795	76%	0.76	S	S	*	*			trans	-122.7	105.6	153.6	-60	-178.3	0	0	0	108.1
397	V	30.7	Very low	33.5	Very low	106 Å²	106	128.4 Å²	128.4	64%	0.642	76%	0.764	S	S	*	*			trans	-118.2	113.1	164.5	170.3	0	0	0	0	106.8	I395 I399	I395-V397 HydrophobicContact CG2-CB 4.28Å; I395-V397 HydrophobicContact CG2-CG2 3.85Å; V397-I399 PolarHBondContact O-N 2.94Å
398	P	40	Very low	33.8	Very low	117 Å²	117	129.7 Å²	129.7	76%	0.76	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-66.3	127.9	165.1	-16.1	31.2	0	0	0	109.1
399	I	34	Very low	34.4	Very low	161 Å²	161	130.2 Å²	130.2	83%	0.826	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-81.8	151.7	-174.9	-66.7	168.2	0	0	0	110.4	V397	V397-I399 PolarHBondContact O-N 2.94Å
400	A	30.1	Very low	34.8	Very low	98 Å²	98	127.7 Å²	127.7	81%	0.81	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-60.6	153.6	-177.5	0	0	0	0	0	114.6
401	S	34.8	Very low	34.9	Very low	100 Å²	100	126 Å²	126	70%	0.699	76%	0.759	S	S	*	*			trans	-149.3	123.9	156.5	-165.4	0	0	0	0	111.3
402	T	37.3	Very low	35	Very low	117 Å²	117	127 Å²	127	72%	0.718	76%	0.764	S	S	*	*			trans	45	137.7	141.6	58.2	0	0	0	0	121.3
403	N	33.5	Very low	35.3	Very low	153 Å²	153	124.5 Å²	124.5	82%	0.818	76%	0.764	S	S	*	*			cis	-166.9	162.8	-14.6	-128.7	4.1	0	0	0	107.9
404	P	39.2	Very low	35.2	Very low	105 Å²	105	118.7 Å²	118.7	68%	0.682	76%	0.761	S	S	*	*			trans	-89.9	161.7	-172.4	36.2	-36.1	0	0	0	114.2
405	S	33.8	Very low	35.3	Very low	124 Å²	124	120.2 Å²	120.2	87%	0.867	77%	0.767	S	S	*	*			trans	-162.2	124.6	152.9	-81.4	0	0	0	0	112
406	P	37.7	Very low	35.6	Very low	108 Å²	108	118.8 Å²	118.8	70%	0.701	77%	0.77	S	S	*	*			trans	-107.1	154.8	175.5	38.5	-31.7	0	0	0	113.4
407	L	38.9	Very low	35.6	Very low	162 Å²	162	119.2 Å²	119.2	85%	0.848	77%	0.774	S	S	*	*			trans	-139.5	131	158.4	-64.9	173.9	0	0	0	107.5
408	L	34.9	Very low	36.2	Very low	141 Å²	141	119.3 Å²	119.3	74%	0.738	78%	0.777	S	S	*	*			cis	68.9	131.9	45	-59.5	168	0	0	0	111
409	V	39.7	Very low	35.7	Very low	123 Å²	123	118.8 Å²	118.8	75%	0.745	78%	0.776	S	S	*	*			cis	-179.7	179.9	-1.3	86.2	0	0	0	0	107
410	P	39.9	Very low	35.8	Very low	96 Å²	96	116.7 Å²	116.7	62%	0.623	78%	0.776	S	S	*	*			cis	-142.7	-169.2	-22.8	44	-25.5	0	0	0	116.2
411	C	33.1	Very low	35.8	Very low	104 Å²	104	118.2 Å²	118.2	70%	0.703	77%	0.774	S	S	*	*			trans	68.5	123.4	137.8	-75.3	0	0	0	0	125.6
412	T	36.9	Very low	35.8	Very low	138 Å²	138	123.5 Å²	123.5	85%	0.847	79%	0.785	S	S	*	*			trans	58.9	141.3	130.9	63.1	0	0	0	0	121.4
413	G	33.7	Very low	35.5	Very low	77 Å²	77	125.8 Å²	125.8	79%	0.794	79%	0.788	S	S	*	*			cis	164.9	167.4	-1.3	0	0	0	0	0	112.5
414	G	34.5	Very low	35.5	Very low	79 Å²	79	127.8 Å²	127.8	81%	0.814	79%	0.789	S	S	*	*			trans	93	124.3	-175	0	0	0	0	0	112.2
415	A	33	Very low	35.4	Very low	105 Å²	105	128.2 Å²	128.2	87%	0.868	79%	0.792	S	S	*	*			cis	90.9	93.1	21.9	0	0	0	0	0	116
416	S	37.9	Very low	35.2	Very low	125 Å²	125	129.8 Å²	129.8	87%	0.874	79%	0.79	S	S	*	*			trans	-162.7	138.7	154.3	58.8	0	0	0	0	112
417	D	34.3	Very low	35	Very low	165 Å²	165	132.7 Å²	132.7	88%	0.882	80%	0.799	S	S	*	*			trans	-77.1	-178.4	-171	-102.2	-30.5	0	0	0	115.9
418	P	42.3	Very low	34.5	Very low	108 Å²	108	131.8 Å²	131.8	70%	0.701	80%	0.795	S	S	*	*			trans	-117.2	-159.6	-151.6	46.2	-39.5	0	0	0	116
419	S	31	Very low	34.6	Very low	106 Å²	106	130.2 Å²	130.2	74%	0.741	79%	0.794	S	S	*	*			trans	93.2	120.8	158.4	79.1	0	0	0	0	119.3
420	S	34.4	Very low	34.3	Very low	116 Å²	116	129.5 Å²	129.5	81%	0.811	79%	0.79	S	S	*	*			trans	170.9	89	152.7	-80.4	0	0	0	0	108.3
421	V	31.4	Very low	33.8	Very low	130 Å²	130	131.8 Å²	131.8	79%	0.788	80%	0.797	S	S	*	*				59.1	108.2	88.3	-179.4	0	0	0	0	113.8
422	K	35.4	Very low	33.7	Very low	212 Å²	212	135 Å²	135	92%	0.922	81%	0.807	S	S	*	*			trans	-158.5	135.7	145.1	-108.3	163.2	-173.2	175.9	0	109.5
423	Q	30.7	Very low	33.4	Very low	165 Å²	165	134.6 Å²	134.6	77%	0.771	80%	0.804	S	S	*	*			trans	-112.8	-169.1	-178.2	-70.9	174	-82.5	0	0	110.8
424	F	33	Very low	33.2	Very low	194 Å²	194	135.9 Å²	135.9	85%	0.851	80%	0.801	S	S	*	*			trans	92.8	141.5	170.3	-56.6	-72.3	0	0	0	116.4
425	P	37	Very low	33	Very low	114 Å²	114	139.8 Å²	139.8	74%	0.74	80%	0.803	S	S	*	*			cis	-133.6	-172.7	-44	35.6	-19	0	0	0	112.5
426	L	29	Very low	33	Very low	158 Å²	158	138.2 Å²	138.2	83%	0.827	80%	0.797	S	S	*	*			trans	-69.8	148	168.4	-71.3	75.7	0	0	0	111
427	D	34.2	Very low	32.7	Very low	168 Å²	168	138.3 Å²	138.3	90%	0.898	79%	0.788	S	S	*	*			trans	-148.4	147	136.6	-99.9	-40.2	0	0	0	109.2
428	N	27.8	Very low	32.4	Very low	143 Å²	143	142.8 Å²	142.8	77%	0.765	79%	0.792	S	S	*	*			trans	-151.6	129.5	177.3	177.8	16.8	0	0	0	107.8	T430	N428-T430 PolarHBondContact OD1-N 2.72Å
429	P	36.7	Very low	31.9	Very low	108 Å²	108	148.2 Å²	148.2	70%	0.701	80%	0.799	S	S	*	*				-145.9	135.9	120.6	36.1	-20.8	0	0	0	115.7
430	T	33.6	Very low	31.9	Very low	108 Å²	108	147.6 Å²	147.6	66%	0.663	80%	0.795	S	S	*	*			trans	57.6	120	138.8	60.7	0	0	0	0	121.3	N428	N428-T430 PolarHBondContact OD1-N 2.72Å
431	N	28.8	Very low	31.8	Very low	145 Å²	145	147.3 Å²	147.3	78%	0.775	80%	0.8	S	S	*	*			trans	44.3	110.3	132.2	-56	1.9	0	0	0	119.5
432	N	32.2	Very low	31.8	Very low	170 Å²	170	146.1 Å²	146.1	91%	0.909	79%	0.793	S	S	*	*				-156.9	161.2	97.2	-109.7	-26.3	0	0	0	113
433	V	30.1	Very low	31.7	Very low	131 Å²	131	142.1 Å²	142.1	79%	0.794	79%	0.792	S	S	*	*			trans	-107.3	135	-165.6	172.8	0	0	0	0	111.8
434	S	30.8	Very low	31.8	Very low	103 Å²	103	138.9 Å²	138.9	72%	0.72	79%	0.787	S	S	*	*			trans	-173.5	131.9	135.6	22.9	0	0	0	0	113.8
435	N	28.7	Very low	31.7	Very low	162 Å²	162	133.9 Å²	133.9	87%	0.866	78%	0.776	S	S	*	*			trans	48.7	104.1	145.8	-54.8	-2	0	0	0	119.9
436	G	34.3	Very low	31.7	Very low	72 Å²	72	132.8 Å²	132.8	74%	0.742	77%	0.771	S	S	*	*			trans	-125.3	134	150.3	0	0	0	0	0	109.6
437	D	31.5	Very low	31.7	Very low	126 Å²	126	129.9 Å²	129.9	67%	0.674	75%	0.752	S	S	*	*			trans	-68.5	134	-168.2	-74.6	-93.7	0	0	0	115	R439	D437-R439 WeakPolarHBondContact OD1-CD 3.12Å; D437-R439 IonicContact OD1-NE 3.33Å; D437-R439 PolarHBondContact OD1-NE 2.87Å
438	W	28.2	Very low	31.7	Very low	259 Å²	259	127.3 Å²	127.3	98%	0.981	74%	0.742	S	S	*	*			trans	-120.5	105.8	142.7	-82.4	74.8	0	0	0	107.2
439	R	31	Very low	32	Very low	222 Å²	222	124.8 Å²	124.8	84%	0.838	74%	0.736	S	S	*	*			trans	-103.5	132.5	178.9	-86.1	-176.8	170.6	-96.7	-2	112.1	D437	D437-R439 WeakPolarHBondContact OD1-CD 3.12Å; D437-R439 IonicContact OD1-NE 3.33Å; D437-R439 PolarHBondContact OD1-NE 2.87Å
440	S	32	Very low	31.8	Very low	93 Å²	93	123.1 Å²	123.1	65%	0.65	73%	0.731	S	S	*	*			trans	-72.3	154.3	-176	46	0	0	0	0	113.7
441	A	31	Very low	31.9	Very low	111 Å²	111	127.1 Å²	127.1	92%	0.917	74%	0.742	S	S	*	*			trans	-93.7	99.4	153.3	0	0	0	0	0	108.4
442	T	32.4	Very low	32.1	Very low	105 Å²	105	123.2 Å²	123.2	64%	0.644	74%	0.736	S	S	*	*			trans	-102.4	122.1	176.5	42.2	0	0	0	0	111.2	S444	T442-S444 PolarHBondContact O-N 3.29Å
443	S	32.3	Very low	32.3	Very low	128 Å²	128	124.5 Å²	124.5	90%	0.895	74%	0.736	S	S	*	*			trans	-85.5	92.7	163.7	54.7	0	0	0	0	109.7
444	S	33	Very low	32.7	Very low	96 Å²	96	122.5 Å²	122.5	67%	0.671	73%	0.734	S	S	*	*			trans	-102.6	134.1	-176.5	53.8	0	0	0	0	112.8	T442	T442-S444 PolarHBondContact O-N 3.29Å
445	S	31.7	Very low	33.1	Very low	89 Å²	89	123.6 Å²	123.6	62%	0.622	73%	0.732	S	S	*	*			trans	-125.5	102.3	165.5	59.9	0	0	0	0	110.2
446	S	36.1	Very low	33.4	Very low	91 Å²	91	125.5 Å²	125.5	64%	0.636	73%	0.727	S	S	*	*			trans	-152.2	129.9	178.3	54	0	0	0	0	108.2
447	F	29.8	Very low	33.4	Very low	97 Å²	97	127.7 Å²	127.7	43%	0.425	72%	0.721	S	S	.	*			trans	-87.5	165.1	174.5	-148.3	-105.3	0	0	0	112.2	S606 L607 L608	F447-S606 WeakPolarHBondContact CE1-O 3.07Å; F447-L607 VanDerWaalsContact CD1-C 3.47Å; F447-L607 HydrophobicContact CD1-CB 4.29Å; F447-L607 WeakPolarHBondContact CD1-O 3.48Å; F447-L607 HydrophobicContact CD2-CB 4.2Å; F447-L607 HydrophobicContact CE1-CB 4.03Å; F447-L607 HydrophobicContact CE2-CB 3.91Å; F447-L607 HydrophobicContact CE2-CD1 4.49Å; F447-L607 HydrophobicContact CG-CB 4.36Å; F447-L607 HydrophobicContact CZ-CB 3.81Å; F447-L608 HydrophobicContact CB-CB 3.72Å; F447-L608 HydrophobicContact CB-CD1 3.87Å; F447-L608 HydrophobicContact CB-CG 3.71Å; F447-L608 HydrophobicContact CD2-CB 4.42Å; F447-L608 HydrophobicContact CD2-CD1 3.87Å; F447-L608 HydrophobicContact CD2-CD2 4.48Å; F447-L608 HydrophobicContact CD2-CG 3.56Å; F447-L608 HydrophobicContact CE2-CG 4.43Å; F447-L608 HydrophobicContact CG-CB 4.25Å; F447-L608 HydrophobicContact CG-CD1 4.31Å; F447-L608 HydrophobicContact CG-CG 3.88Å
448	V	33.4	Very low	33.6	Very low	114 Å²	114	128 Å²	128	69%	0.691	72%	0.723	S	S	*	*			trans	-144.4	129.8	-175.4	179.9	0	0	0	0	109
449	S	33.7	Very low	33.6	Very low	91 Å²	91	123.3 Å²	123.3	64%	0.636	71%	0.712	S	S	*	*			trans	-123.5	116.3	152.3	-73.9	0	0	0	0	105.7
450	A	33.4	Very low	33.4	Very low	73 Å²	73	118.9 Å²	118.9	60%	0.603	70%	0.701	S	S	*	*				73.5	135.7	73.3	0	0	0	0	0	111.5
451	Q	35.8	Very low	33.5	Very low	191 Å²	191	121 Å²	121	89%	0.893	71%	0.71	S	S	*	*			cis	-125.8	-176.5	0.3	-60.4	88.5	12.2	0	0	110.2
452	G	33.8	Very low	33.4	Very low	63 Å²	63	123.7 Å²	123.7	65%	0.649	70%	0.7	S	S	*	*			cis	159.8	152.8	-16.3	0	0	0	0	0	115.1
453	H	35.5	Very low	33.4	Very low	197 Å²	197	123.9 Å²	123.9	91%	0.912	71%	0.706	S	S	*	*			trans	49.1	113.3	153.2	-75.6	-83.6	0	0	0	124.4
454	A	39	Very low	33.1	Very low	89 Å²	89	125.7 Å²	125.7	74%	0.736	71%	0.706	S	S	*	*				-163.8	146.1	119.9	0	0	0	0	0	107.9
455	N	38.8	Very low	33	Very low	127 Å²	127	124.7 Å²	124.7	68%	0.679	71%	0.711	S	S	*	*			cis	-149.7	146.6	-3.6	-115.7	-27.6	0	0	0	106.4
456	R	35.6	Very low	32.9	Very low	202 Å²	202	127.9 Å²	127.9	76%	0.762	72%	0.719	S	S	*	*				53.1	137	98.2	-77.2	-168.1	153.5	136.7	-1.4	115.8
457	D	34.5	Very low	32.4	Very low	118 Å²	118	128.8 Å²	128.8	63%	0.631	72%	0.724	S	S	*	*			cis	-150.6	-178.7	7.2	-93.1	-43.1	0	0	0	110.1
458	D	35.5	Very low	32.3	Very low	133 Å²	133	130.6 Å²	130.6	71%	0.711	74%	0.738	S	S	*	*			trans	70.5	146.3	155.8	-73.7	-17.4	0	0	0	121.2
459	Q	27.5	Very low	32.2	Very low	160 Å²	160	131.4 Å²	131.4	75%	0.748	74%	0.743	S	S	*	*			cis	-153.7	155.9	-26.3	-143.4	172.8	82.9	0	0	111.9
460	E	26.5	Very low	32	Very low	129 Å²	129	131.3 Å²	131.3	60%	0.603	74%	0.743	S	S	*	*			trans	-27.9	119.1	172.6	-178	175.5	-169.1	0	0	119	K462	E460-K462 HydrophobicContact CG-CG 4.47Å; E460-K462 WeakPolarHBondContact OE1-CD 3.24Å; E460-K462 WeakPolarHBondContact OE1-CE 3.43Å; E460-K462 IonicContact OE1-NZ 2.72Å; E460-K462 PolarHBondContact OE1-NZ 3.38Å
461	V	35.2	Very low	32	Very low	138 Å²	138	136.1 Å²	136.1	84%	0.836	75%	0.753	S	S	*	*			trans	-133.5	112.1	146.8	-179.5	0	0	0	0	110
462	K	27	Very low	31.6	Very low	166 Å²	166	137.7 Å²	137.7	72%	0.722	75%	0.751	S	S	*	*			trans	-88.4	128	172.9	-68.7	158.9	177	156	0	109.9	E460	E460-K462 HydrophobicContact CG-CG 4.47Å; E460-K462 WeakPolarHBondContact OE1-CD 3.24Å; E460-K462 WeakPolarHBondContact OE1-CE 3.43Å; E460-K462 IonicContact OE1-NZ 2.72Å; E460-K462 PolarHBondContact OE1-NZ 3.38Å
463	S	33.5	Very low	31.3	Very low	110 Å²	110	140.1 Å²	140.1	77%	0.769	75%	0.753	S	S	*	*			trans	-144.5	124.2	161.8	59.9	0	0	0	0	111.2
464	N	26.2	Very low	31	Very low	165 Å²	165	135.8 Å²	135.8	88%	0.882	75%	0.745	S	S	*	*			trans	-65.6	136.9	-165.2	-55.7	-36.3	0	0	0	113.5
465	G	30.6	Very low	30.5	Very low	76 Å²	76	138.7 Å²	138.7	78%	0.784	75%	0.748	S	S	*	*			trans	-138.1	42.8	-178	0	0	0	0	0	114.7
466	I	29.4	Very low	30.1	Very low	156 Å²	156	135.9 Å²	135.9	80%	0.8	75%	0.749	S	S	*	*			trans	35.6	109.4	155.7	-59.7	171.3	0	0	0	117.3
467	C	26.2	Very low	29.7	Very low	109 Å²	109	131.2 Å²	131.2	74%	0.736	74%	0.743	S	S	*	*			trans	-70.9	138.2	151.6	-45.4	0	0	0	0	109.6	V469	C467-V469 HydrophobicContact CB-CG2 4.17Å
468	D	28.2	Very low	29.3	Very low	135 Å²	135	137.1 Å²	137.1	72%	0.722	76%	0.757	S	S	*	*			trans	-101.9	87	144.5	-161	-15.4	0	0	0	108.4	S470	D468-S470 VanDerWaalsContact OD1-CB 3.32Å; D468-S470 WeakPolarHBondContact OD1-CB 3.4Å; D468-S470 PolarHBondContact OD1-N 3.06Å; D468-S470 PolarHBondContact OD1-OG 3.05Å
469	V	29.7	Very low	28.8	Very low	131 Å²	131	134.9 Å²	134.9	79%	0.794	75%	0.751	S	S	*	*			trans	-106.8	87.3	165.1	173.2	0	0	0	0	106.5	C467	C467-V469 HydrophobicContact CB-CG2 4.17Å
470	S	30.1	Very low	28.9	Very low	89 Å²	89	131.3 Å²	131.3	62%	0.622	74%	0.744	S	S	*	*			trans	-113.7	126.9	170.9	-63.6	0	0	0	0	106.8	D468	D468-S470 VanDerWaalsContact OD1-CB 3.32Å; D468-S470 WeakPolarHBondContact OD1-CB 3.4Å; D468-S470 PolarHBondContact OD1-N 3.06Å; D468-S470 PolarHBondContact OD1-OG 3.05Å
471	Q	33.3	Very low	29	Very low	175 Å²	175	129.9 Å²	129.9	82%	0.818	75%	0.748	S	S	*	*			cis	-135.8	156.3	12.1	-54	175.2	-19	0	0	107.5
472	R	26.7	Very low	28.9	Very low	224 Å²	224	131.4 Å²	131.4	85%	0.845	74%	0.744	S	S	*	*				47.7	134.2	59.1	-67.2	-161.9	170.8	-149.7	-0.4	113.7
473	T	27.7	Very low	29.2	Very low	113 Å²	113	130.4 Å²	130.4	69%	0.693	75%	0.746	S	S	*	*			cis	-165	120.9	-11.7	20.1	0	0	0	0	107.3
474	S	29.9	Very low	29.3	Very low	106 Å²	106	128 Å²	128	74%	0.741	74%	0.739	S	S	*	*			trans	171.8	106.4	148.7	49.8	0	0	0	0	106.4
475	D	28.1	Very low	29.9	Very low	150 Å²	150	126.2 Å²	126.2	80%	0.802	73%	0.734	S	S	*	*				73.6	132.5	72.9	-66.4	-42.1	0	0	0	112.2
476	G	30.5	Very low	30.3	Very low	68 Å²	68	128.7 Å²	128.7	70%	0.701	73%	0.725	S	S	*	*			trans	92.3	75.8	-174.6	0	0	0	0	0	111.1
477	T	26.9	Very low	30.6	Very low	105 Å²	105	130.2 Å²	130.2	64%	0.644	72%	0.72	S	S	*	*			cis	53.7	118.1	34.7	-43.6	0	0	0	0	111.8
478	W	25.9	Very low	31	Very low	242 Å²	242	129.9 Å²	129.9	92%	0.917	72%	0.718	S	S	*	*			trans	66.6	156.7	171.7	-64.6	-12.8	0	0	0	116.9
479	S	26.6	Very low	31	Very low	86 Å²	86	133.6 Å²	133.6	60%	0.601	72%	0.722	S	S	*	*			cis	-169.2	-177.8	-27.9	62.8	0	0	0	0	108
480	S	29.1	Very low	31	Very low	85 Å²	85	135.5 Å²	135.5	59%	0.594	72%	0.724	S	S	*	*			trans	71.3	101.1	149.2	-61.5	0	0	0	0	115.3
481	S	29.1	Very low	30.9	Very low	99 Å²	99	134.6 Å²	134.6	69%	0.692	72%	0.718	S	S	*	*				78.4	157.9	68.8	-70	0	0	0	0	113
482	K	32.6	Very low	31.1	Very low	169 Å²	169	128 Å²	128	74%	0.735	70%	0.697	S	S	*	*			trans	66.6	104.6	156.4	-66.3	144.3	-169.8	173.6	0	113.9
483	N	33.7	Very low	31.1	Very low	145 Å²	145	120.4 Å²	120.4	78%	0.775	68%	0.678	S	S	*	*			cis	-144.5	156.3	6.1	-54.8	-73.1	0	0	0	108.3
484	G	34.6	Very low	31.3	Very low	61 Å²	61	117.4 Å²	117.4	63%	0.629	66%	0.66	S	S	*	*			cis	84.1	151.1	24.4	0	0	0	0	0	110.3
485	V	38.9	Very low	31.3	Very low	126 Å²	126	113.7 Å²	113.7	76%	0.764	63%	0.633	S	S	*	*			trans	69.2	114.2	-158.4	-168.8	0	0	0	0	109.7
486	H	38.7	Very low	31.3	Very low	128 Å²	128	111 Å²	111	59%	0.593	63%	0.626	S	S	*	*			cis	-128.3	153.5	9	-111.9	-33.4	0	0	0	110.8
487	R	35.1	Very low	31.2	Very low	188 Å²	188	112.5 Å²	112.5	71%	0.709	62%	0.622	S	S	*	*				49.8	119.9	89.2	-174	-142.8	-66.3	154.7	-2.3	111
488	C	35.3	Very low	30.9	Very low	102 Å²	102	108.3 Å²	108.3	69%	0.689	60%	0.597	S	S	*	*			cis	-69.6	155.5	0.6	-71.5	0	0	0	0	112.2
489	R	28.8	Very low	30.6	Very low	214 Å²	214	100.3 Å²	100.3	81%	0.808	58%	0.578	S	S	*	*				55	110.2	57.9	-83.9	-175.9	171.3	177.1	-7.1	109.5
490	M	30.5	Very low	30.7	Very low	170 Å²	170	97.9 Å²	97.9	84%	0.837	56%	0.563	S	S	*	*	S	Bend		79.1	-178.1	75.5	-87.4	-64.3	-145.6	0	0	111.2
491	S	27.5	Very low	30.9	Very low	70 Å²	70	95.6 Å²	95.6	49%	0.49	54%	0.544	S	S	.	.			trans	-41.8	159.5	145.5	56.6	0	0	0	0	113.3
492	G	36.4	Very low	31.4	Very low	36 Å²	36	96.1 Å²	96.1	37%	0.371	55%	0.545	S	S	.	.	S	Bend	trans	68.5	64.1	-141.4	0	0	0	0	0	109.8	E295	E295-G492 PolarHBondContact OE1-N 3.48Å
493	S	27	Very low	31.3	Very low	65 Å²	65	91.5 Å²	91.5	46%	0.455	53%	0.531	S	S	.	.	S	Bend	cis	-141.9	134.3	14.9	16.3	0	0	0	0	109.1	D299	D299-S493 PolarHBondContact OD1-OG 2.68Å
494	V	33	Very low	31	Very low	51 Å²	51	89.3 Å²	89.3	31%	0.309	52%	0.523	S	S	.	.			cis	41.6	118.8	20.2	-161.8	0	0	0	0	111.2	E295	E295-V494 WeakPolarHBondContact CB-O 3.47Å; E295-V494 VanDerWaalsContact CD-C 3.41Å; E295-V494 WeakPolarHBondContact OE2-CB 3.28Å; E295-V494 WeakPolarHBondContact OE2-CG1 3.3Å
495	P	29.2	Very low	30.8	Very low	27 Å²	27	89.8 Å²	89.8	18%	0.175	51%	0.513	C	S	.	.			cis	-84.1	155	24.8	-4.5	23.9	0	0	0	114.6	D292 E295 T497	D292-P495 HydrophobicContact CB-CB 4.1Å; D292-P495 HydrophobicContact CB-CG 3.9Å; D292-P495 WeakPolarHBondContact O-CG 3.05Å; D292-P495 WeakPolarHBondContact OD1-CB 3.37Å; D292-P495 VanDerWaalsContact OD2-CB 3.3Å; D292-P495 WeakPolarHBondContact OD2-CB 2.8Å; E295-P495 HydrophobicContact CB-CG 4.08Å; P495-T497 CarbonylContact C-O 3.57Å; P495-T497 WeakPolarHBondContact CA-O 3.27Å; P495-T497 VanDerWaalsContact CB-O 3.25Å; P495-T497 WeakPolarHBondContact CB-O 3.15Å
496	S	27	Very low	30.3	Very low	95 Å²	95	86 Å²	86	66%	0.664	49%	0.489	S	S	*	.			trans	160.4	15.9	-165.7	84.5	0	0	0	0	115.7	S498	S496-S498 CarbonylContact C-O 3.59Å; S496-S498 VanDerWaalsContact C-O 3.3Å; S496-S498 WeakPolarHBondContact CA-O 3.02Å; S496-S498 WeakPolarHBondContact CB-O 3.14Å
497	T	28.3	Very low	29.9	Very low	98 Å²	98	81.4 Å²	81.4	60%	0.601	47%	0.471	S	S	*	.	S	Bend	cis	-53.5	121.3	43.6	45.2	0	0	0	0	118.6	P495 A500	P495-T497 CarbonylContact C-O 3.57Å; P495-T497 WeakPolarHBondContact CA-O 3.27Å; P495-T497 VanDerWaalsContact CB-O 3.25Å; P495-T497 WeakPolarHBondContact CB-O 3.15Å; T497-A500 HydrophobicContact CG2-CB 3.53Å
498	S	21.5	Very low	29.6	Very low	17 Å²	17	75.8 Å²	75.8	12%	0.119	46%	0.461	C	S	.	.	S	Bend	cis	-68.6	-162.1	8.2	83.1	0	0	0	0	116.5	D292 S496 A500	D292-S498 WeakPolarHBondContact OD1-CA 3.44Å; D292-S498 WeakPolarHBondContact OD1-CB 3.47Å; D292-S498 PolarHBondContact OD1-N 2.82Å; D292-S498 PolarHBondContact OD1-OG 3Å; D292-S498 VanDerWaalsContact OD2-CB 3.23Å; D292-S498 WeakPolarHBondContact OD2-CB 3.3Å; D292-S498 PolarHBondContact OD2-OG 3.05Å; S496-S498 CarbonylContact C-O 3.59Å; S496-S498 VanDerWaalsContact C-O 3.3Å; S496-S498 WeakPolarHBondContact CA-O 3.02Å; S496-S498 WeakPolarHBondContact CB-O 3.14Å; S498-A500 VanDerWaalsContact C-CA 3.45Å; S498-A500 VanDerWaalsContact C-N 3.34Å; S498-A500 WeakPolarHBondContact O-CA 3.48Å; S498-A500 WeakPolarHBondContact O-CB 3.5Å; S498-A500 PolarHBondContact O-N 2.93Å
499	S	19.8	Very low	29.4	Very low	75 Å²	75	73 Å²	73	52%	0.524	44%	0.443	S	S	.	.	S	Bend	trans	40.1	43	174.2	40	0	0	0	0	116.3	L501	S499-L501 VanDerWaalsContact CA-O 3.27Å; S499-L501 WeakPolarHBondContact CA-O 3.48Å; S499-L501 PolarHBondContact N-O 2.77Å
500	A	29.3	Very low	29.7	Very low	34 Å²	34	65.8 Å²	65.8	28%	0.281	43%	0.425	S	S	.	.	S	Bend	cis	28.4	-120.4	12.8	0	0	0	0	0	115	T497 S498 P502 T503	T497-A500 HydrophobicContact CG2-CB 3.53Å; S498-A500 VanDerWaalsContact C-CA 3.45Å; S498-A500 VanDerWaalsContact C-N 3.34Å; S498-A500 WeakPolarHBondContact O-CA 3.48Å; S498-A500 WeakPolarHBondContact O-CB 3.5Å; S498-A500 PolarHBondContact O-N 2.93Å; A500-P502 CarbonylContact O-C 3.48Å; A500-T503 VanDerWaalsContact C-N 3.27Å; A500-T503 WeakPolarHBondContact CA-OG1 3.43Å; A500-T503 HydrophobicContact CB-CG2 4.21Å; A500-T503 VanDerWaalsContact CB-OG1 3.22Å; A500-T503 WeakPolarHBondContact CB-OG1 3.49Å; A500-T503 PolarHBondContact O-N 3.46Å; A500-T503 PolarHBondContact O-OG1 2.84Å
501	L	31.7	Very low	30	Very low	38 Å²	38	60.8 Å²	60.8	20%	0.199	41%	0.406	C	S	.	.	S	Bend	trans	-35.6	121.1	-179.4	-66.9	168.5	0	0	0	112	F288 S499 T503	F288-L501 HydrophobicContact CD1-CD1 4.13Å; F288-L501 HydrophobicContact CD1-CD2 4.1Å; F288-L501 HydrophobicContact CE1-CB 4.47Å; F288-L501 HydrophobicContact CE1-CD2 4.32Å; S499-L501 VanDerWaalsContact CA-O 3.27Å; S499-L501 WeakPolarHBondContact CA-O 3.48Å; S499-L501 PolarHBondContact N-O 2.77Å; L501-T503 VanDerWaalsContact CA-N 3.35Å; L501-T503 WeakPolarHBondContact CA-O 3.43Å; L501-T503 PolarHBondContact N-OG1 3.35Å
502	P	41.3	Very low	30.6	Very low	110 Å²	110	63 Å²	63	71%	0.714	42%	0.418	S	S	*	.	S	Bend	cis	-86.9	51	3.1	-15	34.3	0	0	0	116.8	F288 A500	F288-P502 HydrophobicContact CE1-CG 4.33Å; F288-P502 HydrophobicContact CZ-CG 4.4Å; A500-P502 CarbonylContact O-C 3.48Å
503	T	29	Very low	30.8	Very low	71 Å²	71	65.5 Å²	65.5	44%	0.436	43%	0.429	S	S	.	.	S	Bend	trans	-57.2	144.4	132.3	52.3	0	0	0	0	106.9	A500 L501 T505	A500-T503 VanDerWaalsContact C-N 3.27Å; A500-T503 WeakPolarHBondContact CA-OG1 3.43Å; A500-T503 HydrophobicContact CB-CG2 4.21Å; A500-T503 VanDerWaalsContact CB-OG1 3.22Å; A500-T503 WeakPolarHBondContact CB-OG1 3.49Å; A500-T503 PolarHBondContact O-N 3.46Å; A500-T503 PolarHBondContact O-OG1 2.84Å; L501-T503 VanDerWaalsContact CA-N 3.35Å; L501-T503 WeakPolarHBondContact CA-O 3.43Å; L501-T503 PolarHBondContact N-OG1 3.35Å; T503-T505 VanDerWaalsContact C-N 3.34Å; T503-T505 PolarHBondContact O-N 3.33Å
504	T	28.2	Very low	31	Very low	100 Å²	100	68.8 Å²	68.8	61%	0.613	45%	0.452	S	S	*	.	S	Bend	trans	42.8	67	167.6	53.4	0	0	0	0	110.5	D506	T504-D506 PolarHBondContact O-N 3.19Å
505	T	30.9	Very low	31.2	Very low	70 Å²	70	69 Å²	69	43%	0.429	46%	0.464	S	S	.	.			trans	57	-106.7	148.5	37.2	0	0	0	0	111.1	F288 T503	F288-T505 WeakPolarHBondContact CE1-O 3.49Å; F288-T505 WeakPolarHBondContact CE2-O 3.49Å; F288-T505 WeakPolarHBondContact CZ-O 3.43Å; T503-T505 VanDerWaalsContact C-N 3.34Å; T503-T505 PolarHBondContact O-N 3.33Å
506	D	28.8	Very low	31.5	Very low	46 Å²	46	76 Å²	76	25%	0.246	49%	0.492	C	S	.	.	S	Bend	cis	-102	131.8	-12.6	-121	54.3	0	0	0	107.8	E286 E287 F288 T504	E286-D506 VanDerWaalsContact OE1-C 3.26Å; E286-D506 VanDerWaalsContact OE1-O 3.08Å; E287-D506 CarbonylContact C-O 3.58Å; E287-D506 VanDerWaalsContact C-O 3.25Å; E287-D506 PolarHBondContact N-O 3.02Å; F288-D506 VanDerWaalsContact CD2-O 3.22Å; F288-D506 WeakPolarHBondContact CD2-O 3.33Å; F288-D506 PolarHBondContact N-O 2.94Å; T504-D506 PolarHBondContact O-N 3.19Å
507	S	28.5	Very low	31.8	Very low	32 Å²	32	78 Å²	78	22%	0.224	49%	0.492	C	S	.	.			cis	-151.1	42.1	5.1	-125.3	0	0	0	0	109.7	E284 G285 E286	E284-S507 CarbonylContact C-O 3.59Å; E284-S507 WeakPolarHBondContact CB-O 3.37Å; G285-S507 PolarHBondContact N-O 3.27Å; G285-S507 CarbonylContact O-C 3.59Å; G285-S507 WeakPolarHBondContact O-CA 3.35Å; G285-S507 WeakPolarHBondContact O-CB 3.48Å; G285-S507 PolarHBondContact O-N 3.24Å; E286-S507 PolarHBondContact OE1-N 2.88Å
508	S	29.8	Very low	32	Very low	70 Å²	70	82.2 Å²	82.2	49%	0.49	50%	0.502	S	S	.	.			trans	93.5	-89.3	178.2	73.2	0	0	0	0	117.7	E284 E286	E284-S508 PolarHBondContact O-OG 3.49Å; E286-S508 VanDerWaalsContact OE1-CA 3.27Å; E286-S508 WeakPolarHBondContact OE1-CA 3.12Å; E286-S508 PolarHBondContact OE1-N 2.86Å
509	S	31.3	Very low	32.6	Very low	44 Å²	44	88 Å²	88	31%	0.308	53%	0.528	S	S	.	.			trans	19.5	134.8	174.6	138.4	0	0	0	0	122.3	E284 G285 E286	E284-S509 WeakPolarHBondContact O-CA 3.38Å; E284-S509 WeakPolarHBondContact O-CB 3.22Å; E284-S509 PolarHBondContact O-N 3.05Å; G285-S509 VanDerWaalsContact CA-CB 3.41Å; E286-S509 WeakPolarHBondContact CB-O 3.32Å; E286-S509 PolarHBondContact N-OG 3.32Å; E286-S509 VanDerWaalsContact N-OG 3.11Å
510	S	34.1	Very low	33.1	Very low	62 Å²	62	90.8 Å²	90.8	43%	0.434	54%	0.541	S	S	.	.			cis	-170.3	-162.9	-1.5	44.7	0	0	0	0	110	D283	D283-S510 WeakPolarHBondContact OD1-CA 3.35Å; D283-S510 WeakPolarHBondContact OD1-CB 3.38Å
511	S	36.8	Very low	33.2	Very low	65 Å²	65	94.1 Å²	94.1	46%	0.455	57%	0.569	S	S	.	*				8.3	122.8	116.2	104.8	0	0	0	0	115.3	D283	D283-S511 PolarHBondContact OD1-N 2.94Å; D283-S511 WeakPolarHBondContact OD2-CB 3.43Å
512	T	40.5	Very low	33.2	Very low	118 Å²	118	95.5 Å²	95.5	72%	0.724	59%	0.593	S	S	*	*			cis	-160.5	148.5	-1	2.9	0	0	0	0	111.5
513	S	40.1	Very low	33	Very low	88 Å²	88	98.4 Å²	98.4	62%	0.615	60%	0.596	S	S	*	*			trans	70.6	132.6	145.3	84.5	0	0	0	0	116.1	G515	S513-G515 VanDerWaalsContact CB-CA 3.41Å; S513-G515 WeakPolarHBondContact OG-CA 3.25Å; S513-G515 PolarHBondContact OG-N 3.2Å
514	S	32.7	Very low	33.2	Very low	134 Å²	134	101.8 Å²	101.8	94%	0.937	61%	0.612	S	S	*	*			cis	46.5	26	32.1	-63.9	0	0	0	0	113.1	K516	S514-K516 PolarHBondContact O-N 2.94Å
515	G	36.4	Very low	33.4	Very low	54 Å²	54	101.1 Å²	101.1	56%	0.557	62%	0.616	S	S	*	*			trans	-97	46.6	-165.8	0	0	0	0	0	115.3	S513	S513-G515 VanDerWaalsContact CB-CA 3.41Å; S513-G515 WeakPolarHBondContact OG-CA 3.25Å; S513-G515 PolarHBondContact OG-N 3.2Å
516	K	35.3	Very low	33.4	Very low	175 Å²	175	104.6 Å²	104.6	76%	0.761	63%	0.633	S	S	*	*			trans	29.5	111.6	166.6	-76	168.2	177.7	158.3	0	116.6	S514	S514-K516 PolarHBondContact O-N 2.94Å
517	M	32.5	Very low	33.6	Very low	137 Å²	137	109.2 Å²	109.2	68%	0.675	66%	0.662	S	S	*	*				43.8	90	86.7	-171.5	-168.9	70.5	0	0	113.8
518	K	34.4	Very low	33.8	Very low	186 Å²	186	111 Å²	111	81%	0.809	69%	0.686	S	S	*	*			trans	-140.6	122.8	144.2	-109.1	155.5	-177.2	176.2	0	106.2
519	Q	34	Very low	33.8	Very low	140 Å²	140	113.6 Å²	113.6	65%	0.654	70%	0.704	S	S	*	*				54.7	134.3	62.6	-55	179.9	1.5	0	0	110.4
520	T	29.8	Very low	34	Very low	132 Å²	132	117.7 Å²	117.7	81%	0.81	73%	0.732	S	S	*	*			cis	-133	159.2	37.5	44.7	0	0	0	0	114.8
521	A	31.5	Very low	34	Very low	104 Å²	104	119.7 Å²	119.7	86%	0.86	75%	0.747	S	S	*	*			trans	-68.6	158.9	173.3	0	0	0	0	0	112.6
522	G	31.2	Very low	33.8	Very low	68 Å²	68	123.6 Å²	123.6	70%	0.701	77%	0.768	S	S	*	*			trans	-151.3	76.2	-176	0	0	0	0	0	114.8
523	H	36.9	Very low	33.4	Very low	170 Å²	170	124.1 Å²	124.1	79%	0.787	77%	0.771	S	S	*	*			trans	62.3	108.9	153.8	-67.2	87.9	0	0	0	121.2
524	N	33	Very low	33.1	Very low	142 Å²	142	126.2 Å²	126.2	76%	0.759	78%	0.78	S	S	*	*				56.6	112.5	114.8	-63.3	8.1	0	0	0	121.8
525	A	32.6	Very low	33.2	Very low	86 Å²	86	125 Å²	125	71%	0.711	77%	0.772	S	S	*	*				98.4	131.3	109.2	0	0	0	0	0	121.7
526	D	30.4	Very low	33.2	Very low	144 Å²	144	127.4 Å²	127.4	77%	0.77	78%	0.78	S	S	*	*			trans	74.9	115.3	137.7	-72	4.6	0	0	0	123.9
527	V	33.3	Very low	33.2	Very low	142 Å²	142	124.9 Å²	124.9	86%	0.861	78%	0.779	S	S	*	*				64.1	126.6	123.5	-179.2	0	0	0	0	119
528	G	32.8	Very low	33.3	Very low	71 Å²	71	123.4 Å²	123.4	73%	0.732	78%	0.778	S	S	*	*			trans	157.7	70.5	156.1	0	0	0	0	0	116.6
529	S	30.7	Very low	33.3	Very low	123 Å²	123	122.2 Å²	122.2	86%	0.86	78%	0.779	S	S	*	*			trans	-71.9	126.6	172.7	-51.3	0	0	0	0	112.3
530	S	34.5	Very low	33.2	Very low	130 Å²	130	120.4 Å²	120.4	91%	0.909	78%	0.782	S	S	*	*			trans	-172.9	163.2	140	42.1	0	0	0	0	112
531	S	34.1	Very low	33.4	Very low	105 Å²	105	122.9 Å²	122.9	73%	0.734	78%	0.784	S	S	*	*			trans	-108.4	147.8	-161.7	56.3	0	0	0	0	114.9
532	T	33.1	Very low	33.4	Very low	147 Å²	147	122.9 Å²	122.9	90%	0.902	78%	0.778	S	S	*	*			trans	-146.5	154	146.6	-21.8	0	0	0	0	110.7
533	T	32.6	Very low	33.5	Very low	129 Å²	129	124.7 Å²	124.7	79%	0.791	78%	0.78	S	S	*	*			trans	-127.5	146.8	-166.2	39	0	0	0	0	114.6
534	T	33.1	Very low	33.3	Very low	131 Å²	131	121.7 Å²	121.7	80%	0.804	78%	0.778	S	S	*	*			trans	-157.9	117.5	153.8	21.9	0	0	0	0	107.4
535	S	35.9	Very low	33.3	Very low	110 Å²	110	122.5 Å²	122.5	77%	0.769	78%	0.781	S	S	*	*				68.8	119.6	83.5	-55.8	0	0	0	0	113.5
536	S	36.6	Very low	33.2	Very low	103 Å²	103	123.8 Å²	123.8	72%	0.72	78%	0.781	S	S	*	*			cis	-156.3	-156.4	-4.1	-60.7	0	0	0	0	108.1
537	T	35.4	Very low	33.2	Very low	122 Å²	122	123.7 Å²	123.7	75%	0.748	78%	0.78	S	S	*	*			cis	-173.9	155.3	1.7	8.6	0	0	0	0	106.2
538	T	34.1	Very low	33	Very low	107 Å²	107	123.3 Å²	123.3	66%	0.656	78%	0.778	S	S	*	*			cis	-176.9	131.9	-26.9	21.6	0	0	0	0	109.6
539	I	33.5	Very low	32.8	Very low	161 Å²	161	126 Å²	126	83%	0.826	78%	0.78	S	S	*	*			trans	68.9	156	154.8	-54.8	159.2	0	0	0	114.4
540	S	33	Very low	32.7	Very low	102 Å²	102	124.7 Å²	124.7	71%	0.713	77%	0.771	S	S	*	*			cis	-125.4	-172.9	3.2	-39	0	0	0	0	110.7
541	Q	32.9	Very low	32.4	Very low	184 Å²	184	125 Å²	125	86%	0.86	77%	0.768	S	S	*	*			cis	74.5	141.8	8.5	-59.2	-169.3	9.6	0	0	118.1
542	S	32	Very low	32.6	Very low	104 Å²	104	125.6 Å²	125.6	73%	0.727	77%	0.769	S	S	*	*			cis	-177	168	-12.7	45.9	0	0	0	0	107.3
543	S	32.3	Very low	32.4	Very low	105 Å²	105	126.9 Å²	126.9	73%	0.734	77%	0.769	S	S	*	*			cis	-169.1	-171.1	-25	57.3	0	0	0	0	109
544	S	33.1	Very low	32.2	Very low	108 Å²	108	128 Å²	128	76%	0.755	77%	0.769	S	S	*	*			trans	74.8	155.4	171.5	82.3	0	0	0	0	118.1
545	L	33.6	Very low	32	Very low	158 Å²	158	127.9 Å²	127.9	83%	0.827	77%	0.768	S	S	*	*			cis	-158.5	169.2	-15.9	-114.3	172.6	0	0	0	112
546	V	31.2	Very low	31.6	Very low	114 Å²	114	127.1 Å²	127.1	69%	0.691	76%	0.763	S	S	*	*			trans	-24.6	142.1	-175.8	-70.3	0	0	0	0	124.8
547	N	28.7	Very low	31.4	Very low	142 Å²	142	130.1 Å²	130.1	76%	0.759	76%	0.763	S	S	*	*			trans	25.8	129	136.3	-55.3	-6.9	0	0	0	122.2
548	T	29.2	Very low	31.3	Very low	134 Å²	134	130.6 Å²	130.6	82%	0.822	76%	0.757	S	S	*	*				-177.1	135.8	101.4	24.4	0	0	0	0	115.7
549	V	30	Very low	31.3	Very low	127 Å²	127	133.3 Å²	133.3	77%	0.77	76%	0.762	S	S	*	*			trans	53.9	107.7	134.8	-179.5	0	0	0	0	121.8
550	S	27	Very low	31.5	Very low	96 Å²	96	130.3 Å²	130.3	67%	0.671	76%	0.755	S	S	*	*			trans	78.5	131.6	134.6	-66.2	0	0	0	0	125.4
551	T	28.2	Very low	31.6	Very low	137 Å²	137	133.1 Å²	133.1	84%	0.84	76%	0.757	S	S	*	*			trans	79.5	148.3	143.2	45.3	0	0	0	0	120.8
552	P	39.8	Very low	31.7	Very low	116 Å²	116	131.6 Å²	131.6	75%	0.753	76%	0.755	S	S	*	*			trans	-118.2	165	-159	41.9	-29.9	0	0	0	115
553	L	27.6	Very low	31.7	Very low	175 Å²	175	132.2 Å²	132.2	92%	0.916	75%	0.754	S	S	*	*			trans	-154.3	161.2	147.2	-144.7	69.7	0	0	0	112
554	I	29.6	Very low	31.8	Very low	152 Å²	152	136.6 Å²	136.6	78%	0.779	76%	0.763	S	S	*	*			trans	-105.9	127.7	-179	-62.2	163.1	0	0	0	109.7
555	T	27.8	Very low	31.8	Very low	129 Å²	129	139.8 Å²	139.8	79%	0.791	77%	0.766	S	S	*	*			trans	-161.9	119.7	146	43.6	0	0	0	0	107
556	S	28.1	Very low	31.6	Very low	93 Å²	93	137 Å²	137	65%	0.65	76%	0.759	S	S	*	*				75.9	101.4	50	78.7	0	0	0	0	114.7
557	K	32.6	Very low	31.7	Very low	166 Å²	166	136.7 Å²	136.7	72%	0.722	76%	0.758	S	S	*	*			trans	-162.7	134.3	143	-85.8	-137.8	163.7	-99.4	0	106.4
558	E	33.4	Very low	31.7	Very low	133 Å²	133	138.9 Å²	138.9	62%	0.621	76%	0.763	S	S	*	*				65.1	130.5	59.3	-63.3	164.1	170	0	0	109.9
559	E	34.4	Very low	31.8	Very low	163 Å²	163	136.7 Å²	136.7	76%	0.762	76%	0.759	S	S	*	*			cis	-160.8	175.8	12.3	-109.5	153.8	153.6	0	0	106.6
560	S	36.1	Very low	31.8	Very low	98 Å²	98	139 Å²	139	69%	0.685	76%	0.761	S	S	*	*			cis	-153.3	177	9.2	55.5	0	0	0	0	111.3
561	E	35.5	Very low	32.1	Very low	161 Å²	161	140.9 Å²	140.9	75%	0.752	77%	0.769	S	S	*	*			trans	-22.5	159.6	150.1	-68.4	141.9	154.8	0	0	117.2
562	D	34.8	Very low	32.2	Very low	153 Å²	153	139.9 Å²	139.9	82%	0.818	77%	0.768	S	S	*	*			cis	-154.4	-179.1	43.6	-139.3	-31.5	0	0	0	117
563	T	33.3	Very low	32	Very low	117 Å²	117	138.3 Å²	138.3	72%	0.718	77%	0.773	S	S	*	*			trans	-100	150	-163	-30.6	0	0	0	0	113.3
564	E	34.9	Very low	32.2	Very low	197 Å²	197	136.1 Å²	136.1	92%	0.921	77%	0.767	S	S	*	*				-175.8	177.5	121.9	-105.4	-174.8	-176.2	0	0	113.6
565	E	31.2	Very low	32.3	Very low	174 Å²	174	134.2 Å²	134.2	81%	0.813	77%	0.767	S	S	*	*			trans	-107.4	178.9	-154.7	-160.3	-176.2	155.9	0	0	114.1
566	S	30	Very low	32.7	Very low	99 Å²	99	134 Å²	134	69%	0.692	77%	0.771	S	S	*	*			trans	86.4	150.4	157.5	-57.1	0	0	0	0	118.5
567	V	32.6	Very low	32.8	Very low	109 Å²	109	138.8 Å²	138.8	66%	0.661	77%	0.774	S	S	*	*			cis	-165.6	141.7	-20.3	128.3	0	0	0	0	106.1
568	E	29.1	Very low	33	Very low	187 Å²	187	138 Å²	138	87%	0.874	78%	0.783	S	S	*	*			trans	50.3	154	162.6	-66.2	167.6	-165.9	0	0	118.5
569	A	32.3	Very low	33	Very low	89 Å²	89	140.7 Å²	140.7	74%	0.736	79%	0.788	S	S	*	*			cis	-158.6	170.8	29.1	0	0	0	0	0	113.3
570	E	29.6	Very low	32.9	Very low	174 Å²	174	144.4 Å²	144.4	81%	0.813	80%	0.795	S	S	*	*			trans	-21.2	149.2	161.6	-47.7	-168	126.5	0	0	118
571	T	33.4	Very low	32.8	Very low	136 Å²	136	144.4 Å²	144.4	83%	0.834	80%	0.795	S	S	*	*				-166.5	160.6	73	28.2	0	0	0	0	114
572	S	30.3	Very low	32.7	Very low	116 Å²	116	142.9 Å²	142.9	81%	0.811	80%	0.796	S	S	*	*			trans	-91.1	150.6	-176.5	58	0	0	0	0	113.8
573	G	35.8	Very low	32.5	Very low	83 Å²	83	145.3 Å²	145.3	86%	0.856	79%	0.794	S	S	*	*			trans	-139.6	113	173.4	0	0	0	0	0	111
574	T	32.3	Very low	32.3	Very low	129 Å²	129	151.9 Å²	151.9	79%	0.791	81%	0.806	S	S	*	*			trans	-106.8	153.6	-166.3	56.2	0	0	0	0	114.8
575	S	30.8	Very low	32.2	Very low	113 Å²	113	152.5 Å²	152.5	79%	0.79	80%	0.8	S	S	*	*			trans	75.3	118.4	148.4	-163.8	0	0	0	0	119.8
576	S	36.3	Very low	32	Very low	123 Å²	123	151 Å²	151	86%	0.86	80%	0.798	S	S	*	*				-152.4	161.5	121.3	60.2	0	0	0	0	110.7
577	R	30.9	Very low	32.1	Very low	194 Å²	194	152.3 Å²	152.3	73%	0.732	80%	0.801	S	S	*	*			trans	-144.2	128.5	-162.1	179.2	-168.6	-168.1	175.4	9.8	111.6
578	V	35.6	Very low	31.8	Very low	149 Å²	149	152.9 Å²	152.9	90%	0.903	81%	0.805	S	S	*	*			trans	-123.3	145.4	169.2	-177.6	0	0	0	0	109.8
579	R	33	Very low	31.7	Very low	190 Å²	190	148.8 Å²	148.8	72%	0.717	80%	0.797	S	S	*	*			trans	-127.7	137.9	-172	-63.5	163.9	96.5	175.3	6.3	111.6
580	R	33	Very low	31.5	Very low	241 Å²	241	150 Å²	150	91%	0.909	80%	0.796	S	S	*	*			trans	-166	123.7	133.3	-100.8	158.1	179.2	173.4	-0.6	106
581	S	33.3	Very low	31.3	Very low	98 Å²	98	147.1 Å²	147.1	69%	0.685	79%	0.79	S	S	*	*				63.9	120.7	63.4	-151.7	0	0	0	0	110.1
582	T	33.7	Very low	30.9	Very low	129 Å²	129	146.2 Å²	146.2	79%	0.791	78%	0.784	S	S	*	*			cis	-167.5	172.9	7.3	-0.5	0	0	0	0	108
583	R	30.4	Very low	30.7	Very low	204 Å²	204	146.7 Å²	146.7	77%	0.77	78%	0.783	S	S	*	*			cis	-164	139.8	8	146.7	-178.1	166.4	-174.2	-5.3	108.9
584	R	28.9	Very low	30.4	Very low	255 Å²	255	147 Å²	147	96%	0.962	77%	0.772	S	S	*	*			trans	-136.8	152.3	159.3	-140	175	-173.1	-173.3	1.3	108.2
585	R	33	Very low	30.2	Very low	210 Å²	210	147.8 Å²	147.8	79%	0.792	77%	0.771	S	S	*	*			trans	-139.7	136.5	-173	-123	-171.6	-168.7	174.9	1.6	110.5
586	N	27.9	Very low	30.1	Very low	144 Å²	144	154.2 Å²	154.2	77%	0.77	78%	0.778	S	S	*	*			trans	-74.3	150	165.8	-54.3	9.8	0	0	0	109.6
587	T	31	Very low	30	Very low	125 Å²	125	152.6 Å²	152.6	77%	0.767	77%	0.765	S	S	*	*				163	113.1	119.3	44.3	0	0	0	0	108.2
588	T	27.2	Very low	30	Very low	121 Å²	121	154 Å²	154	74%	0.742	77%	0.77	S	S	*	*				82.3	129.2	78.6	-52.4	0	0	0	0	113.8
589	S	27.3	Very low	29.8	Very low	102 Å²	102	152.6 Å²	152.6	71%	0.713	76%	0.757	S	S	*	*			trans	76	148.7	155	58.3	0	0	0	0	122.8
590	T	28.4	Very low	29.7	Very low	115 Å²	115	153.7 Å²	153.7	71%	0.706	76%	0.762	S	S	*	*			trans	85.1	84.3	148.2	37.3	0	0	0	0	121.8
591	T	25.2	Very low	29.8	Very low	112 Å²	112	148.2 Å²	148.2	69%	0.687	76%	0.755	S	S	*	*				66.7	128.8	111.7	55.7	0	0	0	0	122.5
592	T	25.7	Very low	29.8	Very low	117 Å²	117	148 Å²	148	72%	0.718	75%	0.753	S	S	*	*			trans	84	140	130.9	51.8	0	0	0	0	122.9
593	T	25.8	Very low	29.9	Very low	127 Å²	127	151.9 Å²	151.9	78%	0.779	75%	0.753	S	S	*	*			trans	80.3	105.8	143.5	41.2	0	0	0	0	121.1
594	S	28.4	Very low	30.1	Very low	88 Å²	88	148.4 Å²	148.4	62%	0.615	75%	0.75	S	S	*	*				99.1	103.8	107.5	-178.7	0	0	0	0	119.1
595	N	28	Very low	30.3	Very low	146 Å²	146	140.8 Å²	140.8	78%	0.781	74%	0.736	S	S	*	*				43.3	114.9	126.1	-47	-69.4	0	0	0	118.5
596	R	29.5	Very low	30.2	Very low	248 Å²	248	134.6 Å²	134.6	94%	0.936	73%	0.725	S	S	*	*				-148.8	156.4	128.2	-99.8	-142.6	146.6	-162.6	-4.2	112.8
597	P	33.9	Very low	30.2	Very low	89 Å²	89	133.7 Å²	133.7	58%	0.578	72%	0.72	S	S	*	*			trans	-140	-178.1	-145	44.1	-26.6	0	0	0	116.1
598	R	30.9	Very low	30.2	Very low	225 Å²	225	132.4 Å²	132.4	85%	0.849	71%	0.707	S	S	*	*			trans	72.8	151.1	164.5	-61.5	172.9	178.4	174.9	-1.4	114.3
599	N	30.8	Very low	30.4	Very low	119 Å²	119	130.6 Å²	130.6	64%	0.636	71%	0.705	S	S	*	*			cis	-158	149.4	6.3	-130.3	1.9	0	0	0	111.3
600	R	31.5	Very low	30.4	Very low	213 Å²	213	132.1 Å²	132.1	80%	0.804	71%	0.71	S	S	*	*			trans	24.3	135.6	137.6	-57	171.7	173.9	-166.3	-5.7	118.7
601	T	35.3	Very low	30.6	Very low	126 Å²	126	131.9 Å²	131.9	77%	0.773	71%	0.708	S	S	*	*				-158.6	135.2	55.1	41.2	0	0	0	0	112.3
602	S	33.5	Very low	31	Very low	93 Å²	93	132 Å²	132	65%	0.65	71%	0.713	S	S	*	*				66.1	129.2	97.8	-147.4	0	0	0	0	114.5
603	R	35.7	Very low	31.2	Very low	210 Å²	210	136 Å²	136	79%	0.792	72%	0.721	S	S	*	*			cis	-168.9	135	34.6	-154.3	158.2	-163.7	158.6	4.8	115.8
604	D	33.6	Very low	31.3	Very low	132 Å²	132	134.9 Å²	134.9	71%	0.706	73%	0.725	S	S	*	*			trans	58.1	109.2	142.5	-54.7	-2.7	0	0	0	125.1
605	S	33	Very low	31.4	Very low	95 Å²	95	134.5 Å²	134.5	66%	0.664	73%	0.727	S	S	*	*				107.7	86.6	118.2	-62.3	0	0	0	0	125.7
606	S	31.7	Very low	31.6	Very low	80 Å²	80	132.9 Å²	132.9	56%	0.559	73%	0.727	S	S	*	*				75.3	134.1	107.1	73.5	0	0	0	0	126.7	F447	F447-S606 WeakPolarHBondContact CE1-O 3.07Å
607	L	28.9	Very low	31.7	Very low	125 Å²	125	127.1 Å²	127.1	65%	0.654	72%	0.719	S	S	*	*			trans	71.1	162.5	155.8	-61.9	171	0	0	0	118.7	F447	F447-L607 VanDerWaalsContact CD1-C 3.47Å; F447-L607 HydrophobicContact CD1-CB 4.29Å; F447-L607 WeakPolarHBondContact CD1-O 3.48Å; F447-L607 HydrophobicContact CD2-CB 4.2Å; F447-L607 HydrophobicContact CE1-CB 4.03Å; F447-L607 HydrophobicContact CE2-CB 3.91Å; F447-L607 HydrophobicContact CE2-CD1 4.49Å; F447-L607 HydrophobicContact CG-CB 4.36Å; F447-L607 HydrophobicContact CZ-CB 3.81Å
608	L	30.8	Very low	31.7	Very low	98 Å²	98	129 Å²	129	51%	0.513	73%	0.729	S	S	.	*			cis	-101.9	177.8	-14.2	-80.2	175.7	0	0	0	109.9	F447	F447-L608 HydrophobicContact CB-CB 3.72Å; F447-L608 HydrophobicContact CB-CD1 3.87Å; F447-L608 HydrophobicContact CB-CG 3.71Å; F447-L608 HydrophobicContact CD2-CB 4.42Å; F447-L608 HydrophobicContact CD2-CD1 3.87Å; F447-L608 HydrophobicContact CD2-CD2 4.48Å; F447-L608 HydrophobicContact CD2-CG 3.56Å; F447-L608 HydrophobicContact CE2-CG 4.43Å; F447-L608 HydrophobicContact CG-CB 4.25Å; F447-L608 HydrophobicContact CG-CD1 4.31Å; F447-L608 HydrophobicContact CG-CG 3.88Å
609	A	30.6	Very low	31.9	Very low	83 Å²	83	122.9 Å²	122.9	69%	0.686	72%	0.721	S	S	*	*			cis	95.5	131.9	26.9	0	0	0	0	0	117.2
610	T	28.1	Very low	32.1	Very low	134 Å²	134	122.5 Å²	122.5	82%	0.822	73%	0.728	S	S	*	*			trans	-113.3	136.9	-162.3	-54	0	0	0	0	111.7
611	V	30.9	Very low	32.3	Very low	110 Å²	110	120.8 Å²	120.8	67%	0.667	73%	0.729	S	S	*	*			trans	-95.1	99	177.7	-179.8	0	0	0	0	110.5
612	S	33.4	Very low	32.3	Very low	114 Å²	114	119.6 Å²	119.6	80%	0.797	73%	0.725	S	S	*	*			trans	-72	127.2	170.6	-69.9	0	0	0	0	111
613	K	31.8	Very low	32.4	Very low	200 Å²	200	122 Å²	122	87%	0.87	73%	0.731	S	S	*	*			trans	-83.2	117.6	-164.2	-162.2	175	-171.1	174.1	0	111.3	A615	K613-A615 PolarHBondContact O-N 3.46Å; K613-A615 VanDerWaalsContact O-N 3.07Å
614	A	25.9	Very low	32.4	Very low	105 Å²	105	119 Å²	119	87%	0.868	73%	0.73	S	S	*	*			trans	-66.1	107.5	173.1	0	0	0	0	0	110.5
615	A	32.1	Very low	32.2	Very low	79 Å²	79	119.2 Å²	119.2	65%	0.653	74%	0.736	S	S	*	*			trans	-109.7	100.4	173.8	0	0	0	0	0	109.1	K613 T617	K613-A615 PolarHBondContact O-N 3.46Å; K613-A615 VanDerWaalsContact O-N 3.07Å; A615-T617 PolarHBondContact O-N 3.36Å
616	S	30.7	Very low	32.3	Very low	113 Å²	113	119.2 Å²	119.2	79%	0.79	74%	0.741	S	S	*	*			trans	-74.9	87.2	178.9	54.2	0	0	0	0	111.2	T618	S616-T618 PolarHBondContact O-N 2.87Å; S616-T618 VanDerWaalsContact O-N 3.13Å
617	T	32.2	Very low	32.4	Very low	126 Å²	126	121.8 Å²	121.8	77%	0.773	75%	0.754	S	S	*	*			trans	-80.7	80.2	177	38.6	0	0	0	0	112	A615 S619	A615-T617 PolarHBondContact O-N 3.36Å; T617-S619 VanDerWaalsContact C-N 3.32Å; T617-S619 PolarHBondContact O-N 3.41Å
618	T	34.5	Very low	32.6	Very low	129 Å²	129	121.1 Å²	121.1	79%	0.791	76%	0.757	S	S	*	*			trans	-73.6	82.4	167.6	49.3	0	0	0	0	110.9	S616 S620	S616-T618 PolarHBondContact O-N 2.87Å; S616-T618 VanDerWaalsContact O-N 3.13Å; T618-S620 PolarHBondContact O-N 3.33Å
619	S	34.7	Very low	32.7	Very low	96 Å²	96	121.8 Å²	121.8	67%	0.671	77%	0.77	S	S	*	*			trans	-79.5	105.7	173	50.4	0	0	0	0	111.3	T617 H621	T617-S619 VanDerWaalsContact C-N 3.32Å; T617-S619 PolarHBondContact O-N 3.41Å; S619-H621 PolarHBondContact O-N 2.98Å
620	S	34.9	Very low	32.9	Very low	111 Å²	111	123.5 Å²	123.5	78%	0.776	78%	0.777	S	S	*	*			trans	-70.9	95.7	-174.9	-58.7	0	0	0	0	113.2	T618 S622	T618-S620 PolarHBondContact O-N 3.33Å; S620-S622 VanDerWaalsContact C-N 3.33Å; S620-S622 PolarHBondContact O-N 2.9Å
621	H	36	Very low	33.3	Very low	178 Å²	178	122.1 Å²	122.1	82%	0.824	77%	0.773	S	S	*	*			trans	-68.5	87.2	166.8	-90.9	-90.7	0	0	0	111.3	S619	S619-H621 PolarHBondContact O-N 2.98Å
622	S	35.2	Very low	33.4	Very low	101 Å²	101	123.4 Å²	123.4	71%	0.706	78%	0.781	S	S	*	*			trans	-88.8	125.6	167.5	54.9	0	0	0	0	110.3	S620	S620-S622 VanDerWaalsContact C-N 3.33Å; S620-S622 PolarHBondContact O-N 2.9Å
623	N	36.6	Very low	33.1	Very low	144 Å²	144	121.9 Å²	121.9	77%	0.77	78%	0.775	S	S	*	*			trans	-161	114.7	161.5	-105.1	-41.4	0	0	0	113.3
624	L	34.2	Very low	33	Very low	147 Å²	147	118.9 Å²	118.9	77%	0.77	78%	0.778	S	S	*	*			trans	71.8	107.9	142.5	-58.1	168.6	0	0	0	122
625	V	30.8	Very low	33.1	Very low	136 Å²	136	118.6 Å²	118.6	82%	0.824	77%	0.77	S	S	*	*				67.9	106.3	126.9	-175.6	0	0	0	0	119.6
626	A	34.8	Very low	33.1	Very low	94 Å²	94	123.3 Å²	123.3	78%	0.777	78%	0.783	S	S	*	*				-164.4	149.4	110.8	0	0	0	0	0	111.4
627	T	32.3	Very low	33	Very low	135 Å²	135	121 Å²	121	83%	0.828	78%	0.777	S	S	*	*			trans	-126.6	162.8	170	71.2	0	0	0	0	108.3
628	P	34	Very low	32.8	Very low	111 Å²	111	121.7 Å²	121.7	72%	0.721	78%	0.781	S	S	*	*				-152.5	153.3	77.2	40.8	-21.4	0	0	0	118.1
629	S	32.7	Very low	32.6	Very low	112 Å²	112	120.6 Å²	120.6	78%	0.783	78%	0.775	S	S	*	*			trans	42.5	120.3	143.3	66.3	0	0	0	0	122.8
630	S	36.1	Very low	32.3	Very low	118 Å²	118	123.1 Å²	123.1	83%	0.825	78%	0.78	S	S	*	*				-154.5	158.1	115.8	58.4	0	0	0	0	112.4
631	S	34.5	Very low	32.1	Very low	106 Å²	106	125.9 Å²	125.9	74%	0.741	78%	0.781	S	S	*	*			trans	-51.6	152.9	178.1	46.7	0	0	0	0	114.2
632	T	33.3	Very low	31.7	Very low	137 Å²	137	123.3 Å²	123.3	84%	0.84	78%	0.778	S	S	*	*				-155.7	152.5	54.7	-53.2	0	0	0	0	112.7
633	A	28.7	Very low	31.6	Very low	82 Å²	82	124.9 Å²	124.9	68%	0.678	78%	0.783	S	S	*	*			trans	-89.2	147.9	-172.8	0	0	0	0	0	114.6
634	C	29.4	Very low	31.1	Very low	136 Å²	136	127 Å²	127	92%	0.919	79%	0.785	S	S	*	*			trans	-132	138.7	143.2	-93.7	0	0	0	0	107.8
635	S	26.7	Very low	30.9	Very low	100 Å²	100	125.5 Å²	125.5	70%	0.699	79%	0.786	S	S	*	*			trans	-110.7	-168.4	-179.2	-54.4	0	0	0	0	110.8
636	L	32.6	Very low	31.1	Very low	178 Å²	178	124.7 Å²	124.7	93%	0.932	79%	0.786	S	S	*	*			trans	73.7	131.5	-176	-53.3	110	0	0	0	113.9
637	G	29.4	Very low	30.8	Very low	65 Å²	65	125.8 Å²	125.8	67%	0.67	79%	0.788	S	S	*	*			cis	-173	149.9	-6.5	0	0	0	0	0	112.7	T639	G637-T639 PolarHBondContact O-N 2.75Å
638	T	27.2	Very low	31	Very low	139 Å²	139	128.6 Å²	128.6	85%	0.853	79%	0.794	S	S	*	*			trans	-71.5	124	-178.2	-47.7	0	0	0	0	111.7
639	T	30	Very low	30.9	Very low	107 Å²	107	126.9 Å²	126.9	66%	0.656	80%	0.797	S	S	*	*			trans	-132.3	104	166.7	56.6	0	0	0	0	111.6	G637 Q641	G637-T639 PolarHBondContact O-N 2.75Å; T639-Q641 PolarHBondContact O-N 3.28Å
640	N	28.1	Very low	30.8	Very low	149 Å²	149	128.2 Å²	128.2	80%	0.797	80%	0.801	S	S	*	*			trans	-66.6	99.2	160.7	-72.7	-9.5	0	0	0	108.2	T642	N640-T642 PolarHBondContact O-N 3.29Å; N640-T642 VanDerWaalsContact O-N 3.15Å
641	Q	31.7	Very low	30.8	Very low	169 Å²	169	128.1 Å²	128.1	79%	0.79	80%	0.8	S	S	*	*			trans	-83.1	86.6	169.6	-72	-160.2	41.8	0	0	110.1	T639 V643	T639-Q641 PolarHBondContact O-N 3.28Å; Q641-V643 PolarHBondContact O-N 2.9Å; Q641-V643 VanDerWaalsContact O-N 3.12Å
642	T	26.7	Very low	31	Very low	123 Å²	123	129.8 Å²	129.8	76%	0.755	80%	0.801	S	S	*	*			trans	-56.7	112.1	161.3	-47.8	0	0	0	0	108.5	N640 K644	N640-T642 PolarHBondContact O-N 3.29Å; N640-T642 VanDerWaalsContact O-N 3.15Å; T642-K644 PolarHBondContact O-N 2.83Å
643	V	33.5	Very low	31.2	Very low	134 Å²	134	130.6 Å²	130.6	81%	0.812	80%	0.8	S	S	*	*			trans	-63.7	112.5	176.5	178.9	0	0	0	0	108.4	Q641 C645	Q641-V643 PolarHBondContact O-N 2.9Å; Q641-V643 VanDerWaalsContact O-N 3.12Å; V643-C645 PolarHBondContact O-N 2.76Å
644	K	25.6	Very low	31.7	Very low	188 Å²	188	132.1 Å²	132.1	82%	0.817	81%	0.806	S	S	*	*			trans	-91.1	95.8	-165.5	-172	178.6	-178.4	-179.8	0	110.8	T642 S646	T642-K644 PolarHBondContact O-N 2.83Å; K644-S646 PolarHBondContact O-N 3.36Å
645	C	30.4	Very low	32	Very low	117 Å²	117	131.1 Å²	131.1	79%	0.791	80%	0.8	S	S	*	*			trans	-57	122.1	175.6	-57.9	0	0	0	0	111	V643 S647	V643-C645 PolarHBondContact O-N 2.76Å; C645-S647 PolarHBondContact O-N 3.34Å
646	S	34.8	Very low	32.5	Very low	119 Å²	119	131.7 Å²	131.7	83%	0.832	80%	0.804	S	S	*	*			trans	-88.7	101.9	-176.8	-67.7	0	0	0	0	111.4	K644	K644-S646 PolarHBondContact O-N 3.36Å
647	S	29.7	Very low	32.4	Very low	117 Å²	117	129 Å²	129	82%	0.818	80%	0.796	S	S	*	*			trans	-93.1	99.2	178.7	60.7	0	0	0	0	112.7	C645	C645-S647 PolarHBondContact O-N 3.34Å
648	M	35.1	Very low	33	Very low	193 Å²	193	132.3 Å²	132.3	95%	0.951	80%	0.802	S	S	*	*			trans	-148.6	144.2	166.8	-59.3	-177.9	75.3	0	0	108.1
649	G	33.5	Very low	33.2	Very low	76 Å²	76	133.6 Å²	133.6	78%	0.784	80%	0.804	S	S	*	*			cis	-172.7	154.1	-6.6	0	0	0	0	0	110
650	T	28.7	Very low	33.4	Very low	139 Å²	139	131.5 Å²	131.5	85%	0.853	80%	0.803	S	S	*	*			trans	-89.4	136.1	-167.8	51.2	0	0	0	0	115.4
651	S	38	Very low	33.6	Very low	117 Å²	117	129.8 Å²	129.8	82%	0.818	81%	0.81	S	S	*	*			trans	-159.5	80.8	160.2	60.6	0	0	0	0	116
652	N	37.7	Very low	34	Very low	140 Å²	140	127 Å²	127	75%	0.749	81%	0.809	S	S	*	*			trans	21.8	145.2	144	-54.2	-5.6	0	0	0	124.4
653	N	37.4	Very low	35.2	Very low	155 Å²	155	126.7 Å²	126.7	83%	0.829	81%	0.812	S	S	*	*			trans	67.6	133.7	152.4	-67.8	-1.3	0	0	0	118.4
654	S	40.5	Very low	36.5	Very low	114 Å²	114	125.3 Å²	125.3	80%	0.797	81%	0.808	S	S	*	*			cis	-147.1	154.4	43.6	-59.5	0	0	0	0	115.4
655	S	34.9	Very low	38.7	Very low	115 Å²	115	119.5 Å²	119.5	80%	0.804	79%	0.786	S	S	*	*			trans	-52.8	134.7	-178	52.6	0	0	0	0	117.6
656	S	36.9	Very low	41.3	Very low	111 Å²	111	118 Å²	118	78%	0.776	77%	0.773	S	S	*	*			trans	-141.5	134.9	139.8	61.9	0	0	0	0	109.5
657	T	31.3	Very low	43.8	Very low	123 Å²	123	115.6 Å²	115.6	76%	0.755	75%	0.753	S	S	*	*			trans	-101.2	109.1	-169.6	-45.9	0	0	0	0	110.9
658	V	40.7	Very low	46.6	Very low	133 Å²	133	114.4 Å²	114.4	81%	0.806	74%	0.737	S	S	*	*			trans	-129.9	117.1	167.8	-83	0	0	0	0	109.7	G660	V658-G660 PolarHBondContact O-N 3.39Å
659	N	31.9	Very low	49.3	Very low	167 Å²	167	110.2 Å²	110.2	89%	0.893	71%	0.711	S	S	*	*			trans	-81.5	102.7	-177.9	-65.2	-25.5	0	0	0	109.8
660	G	33.4	Very low	52.2	Low	62 Å²	62	112 Å²	112	64%	0.639	70%	0.699	S	S	*	*			trans	-133.1	121.9	169.8	0	0	0	0	0	109.7	V658 S662	V658-G660 PolarHBondContact O-N 3.39Å; G660-S662 PolarHBondContact O-N 3.31Å; G660-S662 VanDerWaalsContact O-N 3.11Å
661	A	32.7	Very low	55.4	Low	114 Å²	114	106.4 Å²	106.4	94%	0.942	66%	0.663	S	S	*	*			trans	-82.1	87.8	-178.8	0	0	0	0	0	110.6
662	S	41.4	Very low	58.1	Low	110 Å²	110	103.2 Å²	103.2	77%	0.769	64%	0.635	S	S	*	*			trans	-103.8	121.8	173.3	-62	0	0	0	0	110.5	G660 S664	G660-S662 PolarHBondContact O-N 3.31Å; G660-S662 VanDerWaalsContact O-N 3.11Å; S662-S664 PolarHBondContact O-N 2.9Å
663	S	50.5	Low	60.9	Low	116 Å²	116	96.6 Å²	96.6	81%	0.811	60%	0.599	S	S	*	*			trans	-65.2	104.3	171.7	-59.2	0	0	0	0	110	N665	S663-N665 PolarHBondContact O-N 3.39Å
664	S	61.3	Low	63.7	Low	106 Å²	106	90 Å²	90	74%	0.741	56%	0.564	S	S	*	*			trans	-80.7	96.3	175.6	59.4	0	0	0	0	110.4	S662 V666	S662-S664 PolarHBondContact O-N 2.9Å; S664-V666 PolarHBondContact O-N 2.89Å
665	N	72.3	Confident	66.2	Low	66 Å²	66	86.3 Å²	86.3	35%	0.353	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-54.4	130.6	171.6	-64.8	-11.4	0	0	0	110.3	V226 S663 E702	V226-N665 HydrophobicContact CB-CB 4Å; V226-N665 HydrophobicContact CG1-CB 4.41Å; V226-N665 HydrophobicContact CG2-CB 4.08Å; S663-N665 PolarHBondContact O-N 3.39Å; N665-E702 PolarHBondContact ND2-OE2 3.12Å; N665-E702 VanDerWaalsContact ND2-OE2 3.13Å
666	V	84.4	Confident	69	Low	86 Å²	86	84.4 Å²	84.4	52%	0.521	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	117.9	-178.4	179.4	0	0	0	0	109.5	V226 S227 S664 L668	V226-V666 CarbonylContact C-O 3.5Å; V226-V666 VanDerWaalsContact CA-O 3.28Å; V226-V666 WeakPolarHBondContact CA-O 3.44Å; S227-V666 PolarHBondContact N-O 3.16Å; S227-V666 PolarHBondContact O-N 2.91Å; S664-V666 PolarHBondContact O-N 2.89Å; V666-L668 PolarHBondContact O-N 3.46Å
667	V	86.7	Confident	71.8	Confident	67 Å²	67	80.9 Å²	80.9	41%	0.406	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	123	175.6	177.3	0	0	0	0	110.5	V224 V226 Q670	V224-V667 HydrophobicContact CG1-CB 4.29Å; V224-V667 HydrophobicContact CG1-CG1 3.68Å; V224-V667 HydrophobicContact CG1-CG2 3.73Å; V226-V667 HydrophobicContact CG1-CG2 4.2Å; V667-Q670 HydrophobicContact CG1-CG 3.88Å
668	L	88.6	Confident	74.9	Confident	93 Å²	93	75 Å²	75	49%	0.487	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-45.1	175.9	-61	-179.4	0	0	0	112	V225 V666 P708	V225-L668 HydrophobicContact CG1-CB 4.49Å; V225-L668 HydrophobicContact CG1-CD1 4.36Å; V225-L668 PolarHBondContact O-N 2.9Å; V666-L668 PolarHBondContact O-N 3.46Å; L668-P708 HydrophobicContact CB-CG 3.87Å; L668-P708 HydrophobicContact CD1-CG 4.19Å
669	R	93.4	Very high	77.5	Confident	105 Å²	105	70.2 Å²	70.2	40%	0.396	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	154.9	-178.5	-162.8	166.3	177.2	179	-1.4	110.8	V225 F671 P708 D709	V225-R669 PolarHBondContact N-O 3.39Å; V225-R669 PolarHBondContact O-N 2.78Å; R669-F671 HydrophobicContact CB-CE2 4.16Å; R669-F671 HydrophobicContact CG-CE1 4.46Å; R669-F671 HydrophobicContact CG-CE2 3.83Å; R669-F671 HydrophobicContact CG-CZ 3.8Å; R669-F671 VanDerWaalsContact NE-CZ 3.34Å; R669-P708 HydrophobicContact CB-CB 3.8Å; R669-P708 HydrophobicContact CB-CG 4.3Å; R669-P708 HydrophobicContact CG-CB 4.38Å; R669-D709 IonicContact NH1-OD1 2.78Å; R669-D709 PolarHBondContact NH1-OD1 3.03Å
670	Q	93.3	Very high	80.5	Confident	112 Å²	112	66.3 Å²	66.3	52%	0.523	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.4	175.1	-59.6	-172.8	-10.3	0	0	109.7	T222 L223 V224 V667	T222-Q670 HydrophobicContact CG2-CB 4.13Å; L223-Q670 CarbonylContact O-C 3.58Å; L223-Q670 WeakPolarHBondContact O-CA 3.41Å; V224-Q670 HydrophobicContact CG1-CG 4.14Å; V224-Q670 HydrophobicContact CG2-CG 4.06Å; V667-Q670 HydrophobicContact CG1-CG 3.88Å
671	F	95.2	Very high	83.5	Confident	23 Å²	23	68 Å²	68	10%	0.101	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	120.6	179.1	-62.7	-85.7	0	0	0	110.4	T222 L223 V225 R669 P708 V711 A712 L715	T222-F671 CarbonylContact C-O 3.52Å; T222-F671 WeakPolarHBondContact CA-O 3.21Å; L223-F671 HydrophobicContact CB-CB 4.41Å; L223-F671 PolarHBondContact N-O 3.26Å; L223-F671 PolarHBondContact O-N 3Å; V225-F671 HydrophobicContact CG2-CD2 4.29Å; V225-F671 HydrophobicContact CG2-CE2 3.89Å; R669-F671 HydrophobicContact CB-CE2 4.16Å; R669-F671 HydrophobicContact CG-CE1 4.46Å; R669-F671 HydrophobicContact CG-CE2 3.83Å; R669-F671 HydrophobicContact CG-CZ 3.8Å; R669-F671 VanDerWaalsContact NE-CZ 3.34Å; F671-P708 VanDerWaalsContact CZ-O 3.3Å; F671-P708 WeakPolarHBondContact CZ-O 3.39Å; F671-V711 HydrophobicContact CD2-CG1 3.75Å; F671-V711 HydrophobicContact CE2-CB 4.02Å; F671-V711 HydrophobicContact CE2-CG1 3.64Å; F671-V711 HydrophobicContact CZ-CG1 4.41Å; F671-A712 HydrophobicContact CE1-CB 3.59Å; F671-A712 HydrophobicContact CZ-CB 3.69Å; F671-L715 HydrophobicContact CB-CD1 3.51Å; F671-L715 HydrophobicContact CD1-CD1 3.89Å; F671-L715 HydrophobicContact CD2-CD1 4.18Å; F671-L715 HydrophobicContact CG-CD1 3.61Å
672	E	95.7	Very high	86.6	Confident	50 Å²	50	62.5 Å²	62.5	23%	0.234	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	129.5	173.1	-72.8	-60	123.7	0	0	110.4	Q216 T219 T222	Q216-E672 HydrophobicContact CB-CB 4.14Å; Q216-E672 HydrophobicContact CG-CB 3.95Å; T219-E672 HydrophobicContact CG2-CB 3.87Å; T219-E672 PolarHBondContact OG1-OE2 3.43Å; T222-E672 WeakPolarHBondContact CB-OE1 3.49Å; T222-E672 VanDerWaalsContact CG2-OE1 3.24Å; T222-E672 WeakPolarHBondContact CG2-OE1 3.42Å; T222-E672 PolarHBondContact OG1-OE1 3.08Å
673	A	96.2	Very high	89.2	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	-179.4	-172.8	0	0	0	0	0	113.3	T219 D220 V221 L223 L678 Y719	T219-A673 CarbonylContact C-O 3.52Å; T219-A673 WeakPolarHBondContact CA-O 3.43Å; T219-A673 VanDerWaalsContact CB-O 3.24Å; T219-A673 WeakPolarHBondContact CB-O 3.34Å; D220-A673 PolarHBondContact N-O 3.18Å; V221-A673 HydrophobicContact CG1-CB 4.24Å; V221-A673 PolarHBondContact N-O 3.23Å; V221-A673 PolarHBondContact O-N 3.01Å; L223-A673 HydrophobicContact CD1-CB 3.51Å; A673-L678 HydrophobicContact CB-CD1 4.02Å; A673-Y719 WeakPolarHBondContact CA-OH 3.25Å; A673-Y719 WeakPolarHBondContact CB-OH 3.25Å
674	H	95.2	Very high	91.3	Very high	18 Å²	18	57 Å²	57	8%	0.083	33%	0.326	C	S	.	.			trans	-119.5	115.6	-174.1	-52.3	82.5	0	0	0	110.8	L217 L218 D220 A676 I677 L678 Y719	L217-H674 PolarHBondContact O-NE2 3.24Å; L218-H674 PolarHBondContact O-CD2 3.3Å; L218-H674 VanDerWaalsContact O-CD2 3.25Å; D220-H674 WeakPolarHBondContact OD1-CA 3.43Å; H674-A676 PolarHBondContact O-N 3.25Å; H674-I677 HydrophobicContact CB-CB 4.21Å; H674-I677 HydrophobicContact CB-CD1 3.97Å; H674-I677 HydrophobicContact CB-CG1 4.06Å; H674-I677 PolarHBondContact O-N 2.64Å; H674-I677 VanDerWaalsContact O-N 3.11Å; H674-L678 WeakPolarHBondContact O-CG 3.34Å; H674-L678 PolarHBondContact O-N 2.82Å; H674-Y719 PolarHBondContact N-OH 2.93Å; H674-Y719 AromaticContact ND1-CE1 3.51Å; H674-Y719 AromaticContact ND1-CZ 3.63Å; H674-Y719 PolarHBondContact ND1-OH 3.02Å
675	K	94	Very high	92.9	Very high	35 Å²	35	52.1 Å²	52.1	15%	0.152	29%	0.291	C	S	.	.	H	α-helix	trans	-52.8	-42.1	178.6	-67.2	-179.5	-175	178	0	111.8	D220 V221 I677 L678 A679 F689 S696 N699	D220-K675 WeakPolarHBondContact O-CE 3.35Å; D220-K675 PolarHBondContact OD1-N 3.06Å; D220-K675 WeakPolarHBondContact OD2-CB 3.37Å; D220-K675 WeakPolarHBondContact OD2-CG 3.34Å; V221-K675 HydrophobicContact CB-CG 3.75Å; V221-K675 HydrophobicContact CG1-CB 4.48Å; V221-K675 HydrophobicContact CG1-CG 3.62Å; K675-I677 PolarHBondContact O-N 3.05Å; K675-L678 PolarHBondContact O-N 3Å; K675-A679 WeakPolarHBondContact O-CB 3.45Å; K675-A679 PolarHBondContact O-N 3.32Å; K675-F689 HydrophobicContact CB-CD2 3.79Å; K675-F689 HydrophobicContact CB-CE2 4.17Å; K675-F689 HydrophobicContact CB-CG 4.1Å; K675-F689 HydrophobicContact CD-CB 4.48Å; K675-F689 HydrophobicContact CD-CD1 4.1Å; K675-F689 HydrophobicContact CD-CG 4.15Å; K675-F689 HydrophobicContact CG-CD1 4.07Å; K675-F689 HydrophobicContact CG-CD2 3.94Å; K675-F689 HydrophobicContact CG-CE1 4.19Å; K675-F689 HydrophobicContact CG-CE2 4.06Å; K675-F689 HydrophobicContact CG-CG 3.96Å; K675-F689 HydrophobicContact CG-CZ 4.19Å; K675-S696 PolarHBondContact NZ-O 3.25Å; K675-N699 PolarHBondContact NZ-OD1 3.24Å
676	A	93.7	Very high	93.9	Very high	76 Å²	76	50.7 Å²	50.7	63%	0.628	29%	0.289	S	S	*	.	H	α-helix	trans	-60.6	-42.7	179.8	0	0	0	0	0	113	H674 A680	H674-A676 PolarHBondContact O-N 3.25Å; A676-A680 WeakPolarHBondContact O-CB 3.35Å; A676-A680 PolarHBondContact O-N 3.49Å
677	I	95.8	Very high	94.2	Very high	37 Å²	37	48.8 Å²	48.8	19%	0.19	28%	0.282	C	S	.	.	H	α-helix	trans	-73.7	-41.3	179.8	-61.6	174.3	0	0	0	110.2	I209 L212 H674 K675 A680 R681 I718 Y719	I209-I677 HydrophobicContact CG2-CD1 4.3Å; L212-I677 HydrophobicContact CD1-CD1 4.19Å; H674-I677 HydrophobicContact CB-CB 4.21Å; H674-I677 HydrophobicContact CB-CD1 3.97Å; H674-I677 HydrophobicContact CB-CG1 4.06Å; H674-I677 PolarHBondContact O-N 2.64Å; H674-I677 VanDerWaalsContact O-N 3.11Å; K675-I677 PolarHBondContact O-N 3.05Å; I677-A680 PolarHBondContact O-N 2.95Å; I677-R681 WeakPolarHBondContact O-CB 3.45Å; I677-R681 WeakPolarHBondContact O-CG 3.2Å; I677-R681 PolarHBondContact O-N 3.13Å; I677-I718 HydrophobicContact CG2-CG2 4.14Å; I677-Y719 HydrophobicContact CB-CE1 4.31Å; I677-Y719 HydrophobicContact CD1-CD1 3.91Å; I677-Y719 HydrophobicContact CD1-CE1 3.49Å; I677-Y719 VanDerWaalsContact CD1-CE1 3.49Å; I677-Y719 HydrophobicContact CG1-CE1 4.48Å; I677-Y719 HydrophobicContact CG2-CD1 3.98Å; I677-Y719 HydrophobicContact CG2-CD2 4.05Å; I677-Y719 HydrophobicContact CG2-CE1 4Å; I677-Y719 HydrophobicContact CG2-CE2 4.08Å; I677-Y719 HydrophobicContact CG2-CG 4.04Å
678	L	96.4	Very high	94.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-49.5	176.3	-65.4	169	0	0	0	111.3	V221 L223 A673 H674 K675 R681 S682 F685 F689 L715 I718	V221-L678 HydrophobicContact CG1-CD1 3.77Å; L223-L678 HydrophobicContact CD1-CD1 4.05Å; A673-L678 HydrophobicContact CB-CD1 4.02Å; H674-L678 WeakPolarHBondContact O-CG 3.34Å; H674-L678 PolarHBondContact O-N 2.82Å; K675-L678 PolarHBondContact O-N 3Å; L678-R681 PolarHBondContact O-N 3.24Å; L678-S682 PolarHBondContact O-N 3Å; L678-F685 HydrophobicContact CB-CB 3.84Å; L678-F685 HydrophobicContact CB-CD2 3.96Å; L678-F685 HydrophobicContact CB-CG 3.89Å; L678-F685 HydrophobicContact CD2-CD2 4.03Å; L678-F685 HydrophobicContact CD2-CE2 4Å; L678-F685 HydrophobicContact CG-CD2 4.5Å; L678-F689 HydrophobicContact CB-CE2 3.94Å; L678-F689 HydrophobicContact CD1-CE2 3.82Å; L678-F689 HydrophobicContact CD1-CZ 4.15Å; L678-L715 HydrophobicContact CD2-CD2 3.66Å; L678-I718 HydrophobicContact CD2-CD1 4.01Å; L678-I718 HydrophobicContact CD2-CG2 4.26Å
679	A	94.8	Very high	94.5	Very high	32 Å²	32	44.2 Å²	44.2	26%	0.264	25%	0.254	S	S	.	.	H	α-helix	trans	-65.1	-38.5	178.6	0	0	0	0	0	113.1	K675 R681 A686	K675-A679 WeakPolarHBondContact O-CB 3.45Å; K675-A679 PolarHBondContact O-N 3.32Å; A679-R681 PolarHBondContact O-N 3.33Å; A679-A686 HydrophobicContact CB-CB 4.02Å
680	A	96	Very high	94	Very high	84 Å²	84	42.2 Å²	42.2	69%	0.694	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.5	176.7	0	0	0	0	0	113.9	A676 I677	A676-A680 WeakPolarHBondContact O-CB 3.35Å; A676-A680 PolarHBondContact O-N 3.49Å; I677-A680 PolarHBondContact O-N 2.95Å
681	R	96.3	Very high	93	Very high	97 Å²	97	42.1 Å²	42.1	37%	0.366	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-19.4	-171.2	-64.3	-69.3	-64.9	110.6	2.4	114.4	I677 L678 A679 I718 L742	I677-R681 WeakPolarHBondContact O-CB 3.45Å; I677-R681 WeakPolarHBondContact O-CG 3.2Å; I677-R681 PolarHBondContact O-N 3.13Å; L678-R681 PolarHBondContact O-N 3.24Å; A679-R681 PolarHBondContact O-N 3.33Å; R681-I718 HydrophobicContact CB-CG2 3.76Å; R681-I718 HydrophobicContact CG-CG2 4.02Å; R681-I718 PolarHBondContact NE-O 3.19Å; R681-I718 VanDerWaalsContact NE-O 3.1Å; R681-L742 VanDerWaalsContact O-CD2 3.32Å; R681-L742 WeakPolarHBondContact O-CD2 3.03Å
682	S	97.2	Very high	91.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	28%	0.284	C	S	.	.			trans	-134.5	121	176.4	168.4	0	0	0	0	109.8	L678 V684 F685 A686 Y740	L678-S682 PolarHBondContact O-N 3Å; S682-V684 PolarHBondContact O-N 3.42Å; S682-V684 PolarHBondContact OG-N 3.06Å; S682-F685 PolarHBondContact O-N 3.37Å; S682-F685 PolarHBondContact OG-N 3.32Å; S682-A686 PolarHBondContact O-N 2.85Å; S682-Y740 WeakPolarHBondContact CB-O 3.13Å; S682-Y740 PolarHBondContact OG-O 3.22Å
683	P	95.9	Very high	90.2	Very high	70 Å²	70	45.9 Å²	45.9	46%	0.455	30%	0.297	S	S	.	.	H	α-helix	trans	-57.6	-30.5	172.1	-23.1	32.1	0	0	0	113.1	A686 A687 Q741	P683-A686 WeakPolarHBondContact O-CB 2.77Å; P683-A686 PolarHBondContact O-N 2.8Å; P683-A687 PolarHBondContact O-N 3.31Å; P683-Q741 HydrophobicContact CG-CB 4.19Å
684	V	94.8	Very high	88.8	Confident	40 Å²	40	53.5 Å²	53.5	24%	0.242	33%	0.332	C	S	.	.	H	α-helix	trans	-69.9	-43.6	179.2	180	0	0	0	0	111.2	S682 A686 A687 M688 Y740 Q741	S682-V684 PolarHBondContact O-N 3.42Å; S682-V684 PolarHBondContact OG-N 3.06Å; V684-A686 VanDerWaalsContact C-N 3.34Å; V684-A687 PolarHBondContact O-N 3.02Å; V684-M688 WeakPolarHBondContact O-CB 3.5Å; V684-M688 PolarHBondContact O-N 3.25Å; V684-Y740 HydrophobicContact CB-CD1 4.33Å; V684-Y740 HydrophobicContact CG1-CD1 4.13Å; V684-Q741 HydrophobicContact CG2-CB 4.17Å; V684-Q741 HydrophobicContact CG2-CG 3.82Å
685	F	94.4	Very high	87.5	Confident	3 Å²	3	56 Å²	56	1%	0.013	34%	0.344	C	S	.	.	H	α-helix	trans	-68.5	-32	170.4	-74.2	-55.9	0	0	0	112.4	L223 L678 S682 M688 F689 I718 Y740	L223-F685 HydrophobicContact CD2-CE1 3.95Å; L223-F685 HydrophobicContact CD2-CZ 3.71Å; L678-F685 HydrophobicContact CB-CB 3.84Å; L678-F685 HydrophobicContact CB-CD2 3.96Å; L678-F685 HydrophobicContact CB-CG 3.89Å; L678-F685 HydrophobicContact CD2-CD2 4.03Å; L678-F685 HydrophobicContact CD2-CE2 4Å; L678-F685 HydrophobicContact CG-CD2 4.5Å; S682-F685 PolarHBondContact O-N 3.37Å; S682-F685 PolarHBondContact OG-N 3.32Å; F685-M688 HydrophobicContact CD1-CE 4.44Å; F685-M688 HydrophobicContact CD1-SD 3.92Å; F685-M688 HydrophobicContact CE1-CE 4.46Å; F685-M688 HydrophobicContact CE1-SD 4.14Å; F685-M688 PolarHBondContact O-N 3.41Å; F685-F689 HydrophobicContact CB-CD2 4.24Å; F685-F689 HydrophobicContact CB-CE2 3.93Å; F685-F689 AromaticContact CD1-CE2 3.86Å; F685-F689 HydrophobicContact CD1-CE2 3.86Å; F685-F689 AromaticContact CD1-CZ 3.97Å; F685-F689 HydrophobicContact CD1-CZ 3.97Å; F685-F689 HydrophobicContact CG-CE2 4.2Å; F685-F689 WeakPolarHBondContact O-CD2 3.47Å; F685-F689 WeakPolarHBondContact O-CG 3.42Å; F685-F689 PolarHBondContact O-N 3.1Å; F685-I718 HydrophobicContact CD2-CD1 4.36Å; F685-I718 HydrophobicContact CE2-CD1 4.07Å; F685-Y740 HydrophobicContact CD1-CE1 4.47Å; F685-Y740 HydrophobicContact CD2-CD1 4.07Å; F685-Y740 HydrophobicContact CD2-CE1 4.49Å; F685-Y740 HydrophobicContact CE1-CD1 4.26Å; F685-Y740 AromaticContact CE1-CE1 3.75Å; F685-Y740 HydrophobicContact CE1-CE1 3.75Å; F685-Y740 AromaticContact CE2-CD1 3.57Å; F685-Y740 HydrophobicContact CE2-CD1 3.57Å; F685-Y740 AromaticContact CE2-CE1 3.77Å; F685-Y740 HydrophobicContact CE2-CE1 3.77Å; F685-Y740 HydrophobicContact CE2-CG 4.25Å; F685-Y740 AromaticContact CZ-CD1 3.68Å; F685-Y740 HydrophobicContact CZ-CD1 3.68Å; F685-Y740 AromaticContact CZ-CE1 3.33Å; F685-Y740 HydrophobicContact CZ-CE1 3.33Å; F685-Y740 AromaticContact CZ-CZ 4Å
686	A	93.3	Very high	86.2	Confident	37 Å²	37	55.3 Å²	55.3	31%	0.306	34%	0.344	S	S	.	.	H	α-helix	trans	-62.5	-43.4	173.3	0	0	0	0	0	111.9	A679 S682 P683 V684 G690	A679-A686 HydrophobicContact CB-CB 4.02Å; S682-A686 PolarHBondContact O-N 2.85Å; P683-A686 WeakPolarHBondContact O-CB 2.77Å; P683-A686 PolarHBondContact O-N 2.8Å; V684-A686 VanDerWaalsContact C-N 3.34Å; A686-G690 WeakPolarHBondContact O-CA 3.49Å; A686-G690 PolarHBondContact O-N 3.31Å
687	A	91.8	Very high	85.3	Confident	46 Å²	46	60.8 Å²	60.8	38%	0.38	35%	0.349	S	S	.	.	H	α-helix	trans	-65.2	-44.7	173.8	0	0	0	0	0	112	P683 V684 F689 H691	P683-A687 PolarHBondContact O-N 3.31Å; V684-A687 PolarHBondContact O-N 3.02Å; A687-F689 VanDerWaalsContact C-N 3.31Å; A687-F689 PolarHBondContact O-N 3.28Å; A687-H691 PolarHBondContact O-ND1 3.4Å
688	M	90.6	Very high	84.5	Confident	34 Å²	34	62.1 Å²	62.1	17%	0.167	37%	0.365	C	S	.	.	H	α-helix	trans	-60.3	-36.3	179.3	-174.7	-177.8	-72.4	0	0	113.2	V684 F685 E695 V701	V684-M688 WeakPolarHBondContact O-CB 3.5Å; V684-M688 PolarHBondContact O-N 3.25Å; F685-M688 HydrophobicContact CD1-CE 4.44Å; F685-M688 HydrophobicContact CD1-SD 3.92Å; F685-M688 HydrophobicContact CE1-CE 4.46Å; F685-M688 HydrophobicContact CE1-SD 4.14Å; F685-M688 PolarHBondContact O-N 3.41Å; M688-E695 HydrophobicContact CG-CB 3.85Å; M688-E695 HydrophobicContact CG-CG 4.15Å; M688-E695 HydrophobicContact SD-CB 4.33Å; M688-E695 HydrophobicContact SD-CG 4.38Å; M688-V701 HydrophobicContact CE-CG1 3.93Å; M688-V701 HydrophobicContact SD-CB 4.26Å; M688-V701 HydrophobicContact SD-CG1 3.66Å; M688-V701 HydrophobicContact SD-CG2 3.52Å; M688-V701 VanDerWaalsContact SD-CG2 3.52Å
689	F	90.2	Very high	84.1	Confident	30 Å²	30	65.8 Å²	65.8	13%	0.132	38%	0.384	C	S	.	.	H	α-helix	trans	-98.8	-21.9	-178.5	-56	-42.1	0	0	0	114.5	V221 K675 L678 F685 A687 H691 V701	V221-F689 HydrophobicContact CG1-CZ 4.3Å; V221-F689 HydrophobicContact CG2-CE1 4.06Å; V221-F689 HydrophobicContact CG2-CZ 3.96Å; K675-F689 HydrophobicContact CB-CD2 3.79Å; K675-F689 HydrophobicContact CB-CE2 4.17Å; K675-F689 HydrophobicContact CB-CG 4.1Å; K675-F689 HydrophobicContact CD-CB 4.48Å; K675-F689 HydrophobicContact CD-CD1 4.1Å; K675-F689 HydrophobicContact CD-CG 4.15Å; K675-F689 HydrophobicContact CG-CD1 4.07Å; K675-F689 HydrophobicContact CG-CD2 3.94Å; K675-F689 HydrophobicContact CG-CE1 4.19Å; K675-F689 HydrophobicContact CG-CE2 4.06Å; K675-F689 HydrophobicContact CG-CG 3.96Å; K675-F689 HydrophobicContact CG-CZ 4.19Å; L678-F689 HydrophobicContact CB-CE2 3.94Å; L678-F689 HydrophobicContact CD1-CE2 3.82Å; L678-F689 HydrophobicContact CD1-CZ 4.15Å; F685-F689 HydrophobicContact CB-CD2 4.24Å; F685-F689 HydrophobicContact CB-CE2 3.93Å; F685-F689 AromaticContact CD1-CE2 3.86Å; F685-F689 HydrophobicContact CD1-CE2 3.86Å; F685-F689 AromaticContact CD1-CZ 3.97Å; F685-F689 HydrophobicContact CD1-CZ 3.97Å; F685-F689 HydrophobicContact CG-CE2 4.2Å; F685-F689 WeakPolarHBondContact O-CD2 3.47Å; F685-F689 WeakPolarHBondContact O-CG 3.42Å; F685-F689 PolarHBondContact O-N 3.1Å; A687-F689 VanDerWaalsContact C-N 3.31Å; A687-F689 PolarHBondContact O-N 3.28Å; F689-H691 VanDerWaalsContact C-N 3.34Å; F689-V701 HydrophobicContact CE1-CG2 3.92Å; F689-V701 HydrophobicContact CZ-CG2 4.05Å
690	G	82.4	Confident	83.9	Confident	62 Å²	62	68.7 Å²	68.7	64%	0.639	39%	0.389	S	S	*	.	H	α-helix	trans	-76.2	-17.1	-179.1	0	0	0	0	0	114.9	A686	A686-G690 WeakPolarHBondContact O-CA 3.49Å; A686-G690 PolarHBondContact O-N 3.31Å
691	H	72.4	Confident	83.7	Confident	110 Å²	110	64.9 Å²	64.9	51%	0.509	36%	0.357	S	S	.	.	S	Bend	trans	-114.7	152.7	-178.8	-51.9	93.5	0	0	0	111.1	A687 F689 M693 S696	A687-H691 PolarHBondContact O-ND1 3.4Å; F689-H691 VanDerWaalsContact C-N 3.34Å; H691-M693 HydrophobicContact CB-CE 4.21Å; H691-M693 HydrophobicContact CB-CG 4.2Å; H691-M693 HydrophobicContact CB-SD 4.48Å; H691-M693 PolarHBondContact O-N 3.26Å; H691-S696 WeakPolarHBondContact O-CB 3.47Å; H691-S696 PolarHBondContact O-OG 2.75Å
692	G	66	Low	83.5	Confident	49 Å²	49	64 Å²	64	51%	0.505	36%	0.357	S	S	.	.			trans	-74.7	36.2	-175.8	0	0	0	0	0	115.9	R697	G692-R697 PolarHBondContact O-NE 3.31Å; G692-R697 VanDerWaalsContact O-NE 3.16Å; G692-R697 PolarHBondContact O-NH2 3.33Å; G692-R697 VanDerWaalsContact O-NH2 3.14Å
693	M	66.7	Low	83.3	Confident	103 Å²	103	64.2 Å²	64.2	51%	0.507	36%	0.358	S	S	.	.	S	Bend	trans	-68.9	178.4	176.3	-61	178.1	175.7	0	0	111.6	H691 E695 S696 R697	H691-M693 HydrophobicContact CB-CE 4.21Å; H691-M693 HydrophobicContact CB-CG 4.2Å; H691-M693 HydrophobicContact CB-SD 4.48Å; H691-M693 PolarHBondContact O-N 3.26Å; M693-E695 WeakPolarHBondContact CB-OE2 3.34Å; M693-S696 PolarHBondContact N-OG 3.11Å; M693-S696 PolarHBondContact O-OG 3.02Å; M693-R697 WeakPolarHBondContact O-CG 3.35Å
694	E	66.9	Low	83.1	Confident	160 Å²	160	63.9 Å²	63.9	75%	0.748	36%	0.355	S	S	*	.	H	α-helix	trans	-71.3	-36	-174.6	-62	-157.1	144.2	0	0	112.2	S696 R697 A698	E694-S696 PolarHBondContact O-N 2.76Å; E694-R697 PolarHBondContact O-N 3.08Å; E694-A698 WeakPolarHBondContact O-CB 3.1Å; E694-A698 PolarHBondContact O-N 3.33Å
695	E	67.3	Low	82.8	Confident	70 Å²	70	66.5 Å²	66.5	33%	0.327	37%	0.367	S	S	.	.	H	α-helix	trans	-62.2	-42	179.2	-56.9	84.7	168.1	0	0	112.1	M688 M693 R697 N699 V701	M688-E695 HydrophobicContact CG-CB 3.85Å; M688-E695 HydrophobicContact CG-CG 4.15Å; M688-E695 HydrophobicContact SD-CB 4.33Å; M688-E695 HydrophobicContact SD-CG 4.38Å; M693-E695 WeakPolarHBondContact CB-OE2 3.34Å; E695-R697 VanDerWaalsContact C-N 3.28Å; E695-R697 PolarHBondContact O-N 3.15Å; E695-N699 PolarHBondContact O-N 3.08Å; E695-V701 HydrophobicContact CB-CG2 4.47Å
696	S	67.3	Low	82.7	Confident	22 Å²	22	67.8 Å²	67.8	15%	0.154	37%	0.374	C	S	.	.	H	α-helix	trans	-69.9	-26.5	-179.6	71.3	0	0	0	0	112.7	K675 H691 M693 E694 N699	K675-S696 PolarHBondContact NZ-O 3.25Å; H691-S696 WeakPolarHBondContact O-CB 3.47Å; H691-S696 PolarHBondContact O-OG 2.75Å; M693-S696 PolarHBondContact N-OG 3.11Å; M693-S696 PolarHBondContact O-OG 3.02Å; E694-S696 PolarHBondContact O-N 2.76Å; S696-N699 PolarHBondContact O-OD1 3.37Å
697	R	74	Confident	82.7	Confident	191 Å²	191	72 Å²	72	72%	0.721	39%	0.387	S	S	*	.	H	α-helix	trans	-87.9	-37.3	175.6	-65.7	175	-180	172.2	4.2	113.7	G692 M693 E694 E695 N699	G692-R697 PolarHBondContact O-NE 3.31Å; G692-R697 VanDerWaalsContact O-NE 3.16Å; G692-R697 PolarHBondContact O-NH2 3.33Å; G692-R697 VanDerWaalsContact O-NH2 3.14Å; M693-R697 WeakPolarHBondContact O-CG 3.35Å; E694-R697 PolarHBondContact O-N 3.08Å; E695-R697 VanDerWaalsContact C-N 3.28Å; E695-R697 PolarHBondContact O-N 3.15Å; R697-N699 VanDerWaalsContact C-N 3.29Å
698	A	80.3	Confident	82.8	Confident	65 Å²	65	71.2 Å²	71.2	54%	0.537	38%	0.378	S	S	.	.	H	α-helix	trans	-79.2	-12.8	-177.7	0	0	0	0	0	113.1	E694 R700	E694-A698 WeakPolarHBondContact O-CB 3.1Å; E694-A698 PolarHBondContact O-N 3.33Å; A698-R700 HydrophobicContact CB-CB 4.33Å; A698-R700 PolarHBondContact O-N 2.98Å; A698-R700 VanDerWaalsContact O-N 3.16Å
699	N	86.6	Confident	82.9	Confident	76 Å²	76	72.9 Å²	72.9	41%	0.406	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	28.8	-171.2	-61	-12.4	0	0	0	112.4	D220 V221 T222 K675 E695 S696 R697	D220-N699 WeakPolarHBondContact O-CB 3.44Å; V221-N699 WeakPolarHBondContact CA-O 3.33Å; T222-N699 PolarHBondContact N-O 3.03Å; K675-N699 PolarHBondContact NZ-OD1 3.24Å; E695-N699 PolarHBondContact O-N 3.08Å; S696-N699 PolarHBondContact O-OD1 3.37Å; R697-N699 VanDerWaalsContact C-N 3.29Å
700	R	91.1	Very high	83.2	Confident	93 Å²	93	71.5 Å²	71.5	35%	0.351	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	132.1	-170.6	-174.3	174.9	171.4	-82.7	-2.4	110.5	T222 V224 A698 E702	T222-R700 VanDerWaalsContact O-CA 3.3Å; T222-R700 WeakPolarHBondContact O-CA 3.26Å; V224-R700 HydrophobicContact CG2-CG 3.99Å; A698-R700 HydrophobicContact CB-CB 4.33Å; A698-R700 PolarHBondContact O-N 2.98Å; A698-R700 VanDerWaalsContact O-N 3.16Å; R700-E702 IonicContact CZ-OE1 3.17Å; R700-E702 IonicContact NH1-OE1 2.72Å; R700-E702 PolarHBondContact NH1-OE1 3.33Å; R700-E702 IonicContact NH2-OE1 2.7Å; R700-E702 PolarHBondContact NH2-OE1 3.15Å
701	V	92	Very high	83.8	Confident	4 Å²	4	68.8 Å²	68.8	2%	0.024	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122.9	-179.7	-176.3	0	0	0	0	108.3	V221 T222 L223 V224 M688 F689 E695	V221-V701 HydrophobicContact CG2-CG2 3.99Å; T222-V701 PolarHBondContact O-N 3Å; L223-V701 HydrophobicContact CG-CB 4.38Å; V224-V701 PolarHBondContact N-O 2.86Å; M688-V701 HydrophobicContact CE-CG1 3.93Å; M688-V701 HydrophobicContact SD-CB 4.26Å; M688-V701 HydrophobicContact SD-CG1 3.66Å; M688-V701 HydrophobicContact SD-CG2 3.52Å; M688-V701 VanDerWaalsContact SD-CG2 3.52Å; F689-V701 HydrophobicContact CE1-CG2 3.92Å; F689-V701 HydrophobicContact CZ-CG2 4.05Å; E695-V701 HydrophobicContact CB-CG2 4.47Å
702	E	92	Very high	84.9	Confident	80 Å²	80	64.6 Å²	64.6	37%	0.374	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	134	169.9	-63.1	-154.9	168.3	0	0	110.7	V224 N665 R700	V224-E702 CarbonylContact O-C 3.52Å; V224-E702 WeakPolarHBondContact O-CA 3.44Å; N665-E702 PolarHBondContact ND2-OE2 3.12Å; N665-E702 VanDerWaalsContact ND2-OE2 3.13Å; R700-E702 IonicContact CZ-OE1 3.17Å; R700-E702 IonicContact NH1-OE1 2.72Å; R700-E702 PolarHBondContact NH1-OE1 3.33Å; R700-E702 IonicContact NH2-OE1 2.7Å; R700-E702 PolarHBondContact NH2-OE1 3.15Å
703	I	92.5	Very high	86.3	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.021	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	112.7	172.2	-59	176.8	0	0	0	107.1	L223 V224 V225 V226 M706 V711	L223-I703 HydrophobicContact CB-CD1 4.39Å; L223-I703 HydrophobicContact CD2-CD1 4.12Å; V224-I703 PolarHBondContact O-N 2.7Å; V225-I703 CarbonylContact C-O 3.59Å; V225-I703 WeakPolarHBondContact CA-O 3.19Å; V226-I703 PolarHBondContact N-O 3.16Å; I703-M706 HydrophobicContact CG2-CB 3.84Å; I703-M706 HydrophobicContact CG2-CG 4.16Å; I703-M706 HydrophobicContact CG2-SD 4.32Å; I703-V711 HydrophobicContact CD1-CG1 3.87Å; I703-V711 HydrophobicContact CD1-CG2 3.99Å; I703-V711 HydrophobicContact CG2-CG2 4.06Å
704	T	92.1	Very high	87.8	Confident	63 Å²	63	58.7 Å²	58.7	39%	0.387	30%	0.295	S	S	.	.			trans	-102.3	-11.4	-171	46.6	0	0	0	0	113.7	V226	V226-T704 HydrophobicContact CG2-CG2 3.58Å
705	D	88.4	Confident	89.2	Confident	95 Å²	95	51.2 Å²	51.2	51%	0.508	26%	0.261	S	S	.	.	S	Bend	trans	-134.1	16.5	-158.5	62.8	-18.8	0	0	0	113.7	K739	D705-K739 IonicContact OD1-NZ 3.06Å; D705-K739 PolarHBondContact OD1-NZ 3.2Å; D705-K739 IonicContact OD2-NZ 3.24Å; D705-K739 PolarHBondContact OD2-NZ 3.18Å
706	M	93.1	Very high	90.5	Very high	29 Å²	29	49 Å²	49	14%	0.143	25%	0.249	C	C	.	.	S	Bend	trans	-138.1	148.4	175.7	-67.4	179.7	56.9	0	0	111.7	V225 I703 T710 V711 V714 A736 Y740	V225-M706 VanDerWaalsContact CG1-O 3.26Å; V225-M706 WeakPolarHBondContact CG1-O 3.45Å; I703-M706 HydrophobicContact CG2-CB 3.84Å; I703-M706 HydrophobicContact CG2-CG 4.16Å; I703-M706 HydrophobicContact CG2-SD 4.32Å; M706-T710 HydrophobicContact CE-CG2 3.62Å; M706-V711 HydrophobicContact CB-CG2 3.71Å; M706-V711 HydrophobicContact CE-CG2 3.74Å; M706-V711 HydrophobicContact SD-CG2 4.16Å; M706-V714 HydrophobicContact CE-CG2 4.19Å; M706-A736 HydrophobicContact CE-CB 3.37Å; M706-A736 HydrophobicContact SD-CB 3.87Å; M706-Y740 HydrophobicContact SD-CE2 3.75Å
707	E	92.1	Very high	91.9	Very high	127 Å²	127	48.1 Å²	48.1	59%	0.593	24%	0.243	S	C	*	.			trans	-69.3	147.7	172.2	-65.5	-148.7	150	0	0	112.6	D709 T710 V711	E707-D709 PolarHBondContact O-N 3.02Å; E707-T710 PolarHBondContact O-N 2.94Å; E707-T710 VanDerWaalsContact O-N 3.15Å; E707-V711 PolarHBondContact O-N 3.23Å
708	P	94.2	Very high	93	Very high	29 Å²	29	39.2 Å²	39.2	19%	0.188	21%	0.209	C	C	.	.	H	α-helix	trans	-58.1	-29.5	179.1	-25.4	33.8	0	0	0	115.1	V225 L668 R669 F671 A712	V225-P708 HydrophobicContact CB-CG 4.44Å; V225-P708 HydrophobicContact CG1-CG 4.02Å; L668-P708 HydrophobicContact CB-CG 3.87Å; L668-P708 HydrophobicContact CD1-CG 4.19Å; R669-P708 HydrophobicContact CB-CB 3.8Å; R669-P708 HydrophobicContact CB-CG 4.3Å; R669-P708 HydrophobicContact CG-CB 4.38Å; F671-P708 VanDerWaalsContact CZ-O 3.3Å; F671-P708 WeakPolarHBondContact CZ-O 3.39Å; P708-A712 PolarHBondContact O-N 3.48Å; P708-A712 VanDerWaalsContact O-N 3.14Å
709	D	93.8	Very high	93.8	Very high	68 Å²	68	36.5 Å²	36.5	36%	0.364	19%	0.185	S	C	.	.	H	α-helix	trans	-75.5	-39.2	177.1	-92.2	14.1	0	0	0	111.9	R669 E707 A712 E713 R728	R669-D709 IonicContact NH1-OD1 2.78Å; R669-D709 PolarHBondContact NH1-OD1 3.03Å; E707-D709 PolarHBondContact O-N 3.02Å; D709-A712 WeakPolarHBondContact O-CB 3.48Å; D709-A712 PolarHBondContact O-N 3.1Å; D709-E713 WeakPolarHBondContact O-CB 3.27Å; D709-E713 PolarHBondContact O-N 2.97Å; D709-R728 IonicContact OD2-CZ 3.9Å; D709-R728 IonicContact OD2-NH1 3.17Å; D709-R728 IonicContact OD2-NH2 2.68Å; D709-R728 PolarHBondContact OD2-NH2 3.49Å
710	T	95.7	Very high	94.1	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-63.6	-41.5	174	-44	0	0	0	0	111.1	M706 E707 A712 E713 V714 E732 L733 A736	M706-T710 HydrophobicContact CE-CG2 3.62Å; E707-T710 PolarHBondContact O-N 2.94Å; E707-T710 VanDerWaalsContact O-N 3.15Å; T710-A712 PolarHBondContact O-N 3.04Å; T710-E713 PolarHBondContact O-N 3.11Å; T710-V714 WeakPolarHBondContact O-CG2 3.36Å; T710-V714 PolarHBondContact O-N 3.39Å; T710-E732 HydrophobicContact CG2-CB 3.63Å; T710-E732 WeakPolarHBondContact CG2-O 3.2Å; T710-E732 WeakPolarHBondContact OG1-CB 3.27Å; T710-L733 HydrophobicContact CG2-CD2 3.98Å; T710-L733 HydrophobicContact CG2-CG 4.33Å; T710-A736 HydrophobicContact CG2-CB 4.36Å
711	V	95.9	Very high	94.3	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.03	17%	0.165	C	C	.	.	H	α-helix	trans	-62.3	-42.7	174.5	175.9	0	0	0	0	111.5	V225 F671 I703 M706 E707 E713 L715	V225-V711 HydrophobicContact CG2-CB 4.01Å; V225-V711 HydrophobicContact CG2-CG1 3.99Å; V225-V711 HydrophobicContact CG2-CG2 3.82Å; F671-V711 HydrophobicContact CD2-CG1 3.75Å; F671-V711 HydrophobicContact CE2-CB 4.02Å; F671-V711 HydrophobicContact CE2-CG1 3.64Å; F671-V711 HydrophobicContact CZ-CG1 4.41Å; I703-V711 HydrophobicContact CD1-CG1 3.87Å; I703-V711 HydrophobicContact CD1-CG2 3.99Å; I703-V711 HydrophobicContact CG2-CG2 4.06Å; M706-V711 HydrophobicContact CB-CG2 3.71Å; M706-V711 HydrophobicContact CE-CG2 3.74Å; M706-V711 HydrophobicContact SD-CG2 4.16Å; E707-V711 PolarHBondContact O-N 3.23Å; V711-E713 VanDerWaalsContact C-N 3.28Å; V711-E713 PolarHBondContact O-N 3.04Å; V711-L715 HydrophobicContact CG1-CD1 4.11Å; V711-L715 WeakPolarHBondContact O-CB 3.21Å; V711-L715 VanDerWaalsContact O-CG 3.32Å; V711-L715 WeakPolarHBondContact O-CG 3.2Å; V711-L715 PolarHBondContact O-N 2.93Å
712	A	95.1	Very high	94.3	Very high	23 Å²	23	34.5 Å²	34.5	19%	0.19	18%	0.184	C	C	.	.	H	α-helix	trans	-58.9	-42.1	175.2	0	0	0	0	0	111.8	F671 P708 D709 T710 L715 R716	F671-A712 HydrophobicContact CE1-CB 3.59Å; F671-A712 HydrophobicContact CZ-CB 3.69Å; P708-A712 PolarHBondContact O-N 3.48Å; P708-A712 VanDerWaalsContact O-N 3.14Å; D709-A712 WeakPolarHBondContact O-CB 3.48Å; D709-A712 PolarHBondContact O-N 3.1Å; T710-A712 PolarHBondContact O-N 3.04Å; A712-L715 PolarHBondContact O-N 3.08Å; A712-R716 WeakPolarHBondContact O-CB 3.27Å; A712-R716 PolarHBondContact O-N 2.92Å
713	E	96	Very high	94.4	Very high	22 Å²	22	32.1 Å²	32.1	10%	0.103	18%	0.175	C	C	.	.	H	α-helix	trans	-77.3	-34	-174.2	-167.7	63.6	-176.4	0	0	112.8	D709 T710 V711 R716 Y717 V723 V724 G725 L729 L733	D709-E713 WeakPolarHBondContact O-CB 3.27Å; D709-E713 PolarHBondContact O-N 2.97Å; T710-E713 PolarHBondContact O-N 3.11Å; V711-E713 VanDerWaalsContact C-N 3.28Å; V711-E713 PolarHBondContact O-N 3.04Å; E713-R716 PolarHBondContact O-N 3.11Å; E713-R716 PolarHBondContact O-NH2 2.68Å; E713-R716 IonicContact OE1-CZ 2.94Å; E713-R716 IonicContact OE1-NE 3.76Å; E713-R716 PolarHBondContact OE1-NE 3.23Å; E713-R716 IonicContact OE1-NH2 2.71Å; E713-R716 PolarHBondContact OE1-NH2 3.5Å; E713-R716 IonicContact OE2-CZ 2.72Å; E713-R716 IonicContact OE2-NE 3.57Å; E713-R716 PolarHBondContact OE2-NE 3Å; E713-R716 IonicContact OE2-NH2 2.73Å; E713-R716 PolarHBondContact OE2-NH2 3.28Å; E713-Y717 WeakPolarHBondContact O-CB 3.31Å; E713-Y717 PolarHBondContact O-N 3.48Å; E713-V723 HydrophobicContact CG-CG1 4.18Å; E713-V723 WeakPolarHBondContact OE1-CG1 3.41Å; E713-V724 PolarHBondContact OE1-N 3.49Å; E713-G725 PolarHBondContact OE1-N 3.45Å; E713-L729 HydrophobicContact CB-CD1 4.28Å; E713-L729 HydrophobicContact CG-CD1 4.4Å; E713-L733 HydrophobicContact CB-CD2 4.18Å; E713-L733 HydrophobicContact CG-CD1 4.19Å; E713-L733 HydrophobicContact CG-CD2 4.11Å
714	V	96.8	Very high	94.3	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.03	21%	0.208	C	C	.	.	H	α-helix	trans	-64.1	-46	168.5	168.6	0	0	0	0	111.3	M706 T710 R716 Y717 I718 L733 A736 L742 L745	M706-V714 HydrophobicContact CE-CG2 4.19Å; T710-V714 WeakPolarHBondContact O-CG2 3.36Å; T710-V714 PolarHBondContact O-N 3.39Å; V714-R716 VanDerWaalsContact C-N 3.35Å; V714-R716 PolarHBondContact O-N 2.96Å; V714-Y717 PolarHBondContact O-N 2.98Å; V714-I718 HydrophobicContact CG1-CD1 4.04Å; V714-I718 WeakPolarHBondContact O-CG1 3.42Å; V714-I718 PolarHBondContact O-N 3.04Å; V714-L733 HydrophobicContact CG2-CD2 3.75Å; V714-A736 HydrophobicContact CG2-CB 3.7Å; V714-L742 HydrophobicContact CG1-CD1 3.69Å; V714-L745 HydrophobicContact CG2-CD2 4.28Å
715	L	96.5	Very high	94	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-45.7	174.9	-74	172	0	0	0	110.8	L213 L223 F671 L678 V711 A712 Y717 I718 Y719	L213-L715 HydrophobicContact CD1-CB 4.47Å; L213-L715 HydrophobicContact CD2-CB 4.07Å; L223-L715 HydrophobicContact CD1-CD2 4.38Å; L223-L715 HydrophobicContact CD2-CD2 4.23Å; F671-L715 HydrophobicContact CB-CD1 3.51Å; F671-L715 HydrophobicContact CD1-CD1 3.89Å; F671-L715 HydrophobicContact CD2-CD1 4.18Å; F671-L715 HydrophobicContact CG-CD1 3.61Å; L678-L715 HydrophobicContact CD2-CD2 3.66Å; V711-L715 HydrophobicContact CG1-CD1 4.11Å; V711-L715 WeakPolarHBondContact O-CB 3.21Å; V711-L715 VanDerWaalsContact O-CG 3.32Å; V711-L715 WeakPolarHBondContact O-CG 3.2Å; V711-L715 PolarHBondContact O-N 2.93Å; A712-L715 PolarHBondContact O-N 3.08Å; L715-Y717 VanDerWaalsContact C-N 3.32Å; L715-Y717 PolarHBondContact O-N 3.25Å; L715-I718 PolarHBondContact O-N 3.27Å; L715-Y719 VanDerWaalsContact O-CD2 3.22Å; L715-Y719 WeakPolarHBondContact O-CD2 3.44Å; L715-Y719 PolarHBondContact O-N 3Å
716	R	95.5	Very high	94	Very high	23 Å²	23	31.8 Å²	31.8	9%	0.087	18%	0.18	C	C	.	.	H	α-helix	trans	-60.5	-40.4	176.7	-164.7	-162.6	55.7	41.7	43.9	111.5	F214 A712 E713 V714 T720 Q722	F214-R716 HydrophobicContact CE1-CG 4.1Å; F214-R716 HydrophobicContact CZ-CG 3.72Å; A712-R716 WeakPolarHBondContact O-CB 3.27Å; A712-R716 PolarHBondContact O-N 2.92Å; E713-R716 PolarHBondContact O-N 3.11Å; E713-R716 PolarHBondContact O-NH2 2.68Å; E713-R716 IonicContact OE1-CZ 2.94Å; E713-R716 IonicContact OE1-NE 3.76Å; E713-R716 PolarHBondContact OE1-NE 3.23Å; E713-R716 IonicContact OE1-NH2 2.71Å; E713-R716 PolarHBondContact OE1-NH2 3.5Å; E713-R716 IonicContact OE2-CZ 2.72Å; E713-R716 IonicContact OE2-NE 3.57Å; E713-R716 PolarHBondContact OE2-NE 3Å; E713-R716 IonicContact OE2-NH2 2.73Å; E713-R716 PolarHBondContact OE2-NH2 3.28Å; V714-R716 VanDerWaalsContact C-N 3.35Å; V714-R716 PolarHBondContact O-N 2.96Å; R716-T720 PolarHBondContact NH1-OG1 3.32Å; R716-T720 WeakPolarHBondContact O-CB 3.46Å; R716-T720 WeakPolarHBondContact O-CG2 3.22Å; R716-T720 PolarHBondContact O-N 2.78Å; R716-T720 PolarHBondContact O-OG1 3.34Å; R716-Q722 VanDerWaalsContact CZ-O 3.27Å; R716-Q722 VanDerWaalsContact NH1-C 3.33Å; R716-Q722 PolarHBondContact NH1-O 2.9Å; R716-Q722 PolarHBondContact NH2-O 3.36Å
717	Y	96.9	Very high	93.7	Very high	5 Å²	5	38 Å²	38	2%	0.02	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-43.2	172.8	169.7	-95.2	0	0	0	113.1	E713 V714 L715 Y719 T720 G721 Q722 V723 L742 R744 L745 M748	E713-Y717 WeakPolarHBondContact O-CB 3.31Å; E713-Y717 PolarHBondContact O-N 3.48Å; V714-Y717 PolarHBondContact O-N 2.98Å; L715-Y717 VanDerWaalsContact C-N 3.32Å; L715-Y717 PolarHBondContact O-N 3.25Å; Y717-Y719 VanDerWaalsContact C-N 3.26Å; Y717-Y719 PolarHBondContact O-N 3.08Å; Y717-T720 PolarHBondContact O-N 3.07Å; Y717-G721 WeakPolarHBondContact O-CA 3.35Å; Y717-G721 PolarHBondContact O-N 2.98Å; Y717-Q722 WeakPolarHBondContact CA-O 3.22Å; Y717-V723 HydrophobicContact CD2-CG2 3.94Å; Y717-L742 HydrophobicContact CD1-CD1 4.38Å; Y717-L742 HydrophobicContact CE1-CB 4.31Å; Y717-R744 WeakPolarHBondContact OH-CB 3.49Å; Y717-L745 HydrophobicContact CD1-CB 3.92Å; Y717-L745 HydrophobicContact CD1-CD1 4.43Å; Y717-L745 HydrophobicContact CD1-CD2 3.9Å; Y717-L745 HydrophobicContact CD1-CG 4.31Å; Y717-L745 HydrophobicContact CD2-CB 4.43Å; Y717-L745 HydrophobicContact CD2-CD1 4Å; Y717-L745 HydrophobicContact CE1-CB 3.62Å; Y717-L745 HydrophobicContact CE1-CD2 4.42Å; Y717-L745 HydrophobicContact CE1-CG 4.49Å; Y717-L745 HydrophobicContact CE2-CB 4.15Å; Y717-L745 HydrophobicContact CE2-CD1 4.38Å; Y717-L745 HydrophobicContact CG-CB 4.32Å; Y717-L745 HydrophobicContact CG-CD1 4.03Å; Y717-L745 HydrophobicContact CG-CD2 4.16Å; Y717-L745 HydrophobicContact CG-CG 4.41Å; Y717-L745 PolarHBondContact OH-N 3.13Å; Y717-M748 HydrophobicContact CE2-SD 4.25Å
718	I	96.9	Very high	93.6	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-56	-43.1	-179.2	-78.8	168.4	0	0	0	111.3	I677 L678 R681 F685 V714 L715 L742	I677-I718 HydrophobicContact CG2-CG2 4.14Å; L678-I718 HydrophobicContact CD2-CD1 4.01Å; L678-I718 HydrophobicContact CD2-CG2 4.26Å; R681-I718 HydrophobicContact CB-CG2 3.76Å; R681-I718 HydrophobicContact CG-CG2 4.02Å; R681-I718 PolarHBondContact NE-O 3.19Å; R681-I718 VanDerWaalsContact NE-O 3.1Å; F685-I718 HydrophobicContact CD2-CD1 4.36Å; F685-I718 HydrophobicContact CE2-CD1 4.07Å; V714-I718 HydrophobicContact CG1-CD1 4.04Å; V714-I718 WeakPolarHBondContact O-CG1 3.42Å; V714-I718 PolarHBondContact O-N 3.04Å; L715-I718 PolarHBondContact O-N 3.27Å; I718-L742 HydrophobicContact CD1-CD1 4.25Å; I718-L742 HydrophobicContact CD1-CD2 4.36Å; I718-L742 HydrophobicContact CG1-CD1 4.17Å; I718-L742 HydrophobicContact CG1-CD2 3.99Å
719	Y	96.2	Very high	93.5	Very high	8 Å²	8	38.6 Å²	38.6	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-83.3	-32.6	-177.2	-74.3	-115.3	0	0	0	113.9	I209 L213 A673 H674 I677 L715 Y717	I209-Y719 HydrophobicContact CG2-CD1 3.88Å; I209-Y719 HydrophobicContact CG2-CG 4.33Å; I209-Y719 WeakPolarHBondContact CG2-O 3.33Å; I209-Y719 WeakPolarHBondContact O-CD1 3.41Å; L213-Y719 HydrophobicContact CB-CD1 3.72Å; L213-Y719 HydrophobicContact CB-CD2 4.3Å; L213-Y719 HydrophobicContact CB-CE1 3.74Å; L213-Y719 HydrophobicContact CB-CE2 4.31Å; L213-Y719 HydrophobicContact CB-CG 3.99Å; L213-Y719 HydrophobicContact CD1-CE2 3.98Å; L213-Y719 HydrophobicContact CD2-CD2 3.98Å; L213-Y719 HydrophobicContact CD2-CE2 4.28Å; L213-Y719 HydrophobicContact CD2-CG 4.22Å; L213-Y719 HydrophobicContact CG-CE2 4.42Å; A673-Y719 WeakPolarHBondContact CA-OH 3.25Å; A673-Y719 WeakPolarHBondContact CB-OH 3.25Å; H674-Y719 PolarHBondContact N-OH 2.93Å; H674-Y719 AromaticContact ND1-CE1 3.51Å; H674-Y719 AromaticContact ND1-CZ 3.63Å; H674-Y719 PolarHBondContact ND1-OH 3.02Å; I677-Y719 HydrophobicContact CB-CE1 4.31Å; I677-Y719 HydrophobicContact CD1-CD1 3.91Å; I677-Y719 HydrophobicContact CD1-CE1 3.49Å; I677-Y719 VanDerWaalsContact CD1-CE1 3.49Å; I677-Y719 HydrophobicContact CG1-CE1 4.48Å; I677-Y719 HydrophobicContact CG2-CD1 3.98Å; I677-Y719 HydrophobicContact CG2-CD2 4.05Å; I677-Y719 HydrophobicContact CG2-CE1 4Å; I677-Y719 HydrophobicContact CG2-CE2 4.08Å; I677-Y719 HydrophobicContact CG2-CG 4.04Å; L715-Y719 VanDerWaalsContact O-CD2 3.22Å; L715-Y719 WeakPolarHBondContact O-CD2 3.44Å; L715-Y719 PolarHBondContact O-N 3Å; Y717-Y719 VanDerWaalsContact C-N 3.26Å; Y717-Y719 PolarHBondContact O-N 3.08Å
720	T	94.1	Very high	93.6	Very high	17 Å²	17	35.9 Å²	35.9	10%	0.104	19%	0.194	C	C	.	.	H	α-helix	trans	-109.2	-19.3	-172	64.9	0	0	0	0	115	R716 Y717 Q722	R716-T720 PolarHBondContact NH1-OG1 3.32Å; R716-T720 WeakPolarHBondContact O-CB 3.46Å; R716-T720 WeakPolarHBondContact O-CG2 3.22Å; R716-T720 PolarHBondContact O-N 2.78Å; R716-T720 PolarHBondContact O-OG1 3.34Å; Y717-T720 PolarHBondContact O-N 3.07Å; T720-Q722 PolarHBondContact O-N 3.39Å; T720-Q722 PolarHBondContact OG1-N 3.25Å
721	G	93.5	Very high	93.5	Very high	22 Å²	22	38.8 Å²	38.8	23%	0.227	21%	0.208	C	C	.	.	S	Bend	trans	70.5	2.4	-171.2	0	0	0	0	0	115.3	Y717 R744	Y717-G721 WeakPolarHBondContact O-CA 3.35Å; Y717-G721 PolarHBondContact O-N 2.98Å; G721-R744 PolarHBondContact O-NH1 3.38Å
722	Q	92.9	Very high	93.4	Very high	92 Å²	92	41.8 Å²	41.8	43%	0.43	22%	0.221	S	C	.	.			trans	-106.7	162.1	-176.6	-63	173.8	-12.4	0	0	111.7	R716 Y717 T720	R716-Q722 VanDerWaalsContact CZ-O 3.27Å; R716-Q722 VanDerWaalsContact NH1-C 3.33Å; R716-Q722 PolarHBondContact NH1-O 2.9Å; R716-Q722 PolarHBondContact NH2-O 3.36Å; Y717-Q722 WeakPolarHBondContact CA-O 3.22Å; T720-Q722 PolarHBondContact O-N 3.39Å; T720-Q722 PolarHBondContact OG1-N 3.25Å
723	V	93.5	Very high	93.5	Very high	30 Å²	30	40.7 Å²	40.7	18%	0.182	21%	0.212	C	C	.	.			trans	-131	136.9	168	-171.7	0	0	0	0	109.5	E713 Y717 M726 L733 L745 M748	E713-V723 HydrophobicContact CG-CG1 4.18Å; E713-V723 WeakPolarHBondContact OE1-CG1 3.41Å; Y717-V723 HydrophobicContact CD2-CG2 3.94Å; V723-M726 HydrophobicContact CB-CB 4.41Å; V723-M726 HydrophobicContact CB-CE 4Å; V723-M726 HydrophobicContact CG1-CB 3.79Å; V723-M726 HydrophobicContact CG1-CE 3.98Å; V723-M726 HydrophobicContact CG1-SD 4.39Å; V723-M726 HydrophobicContact CG2-CE 3.9Å; V723-L733 HydrophobicContact CG1-CD1 3.91Å; V723-L745 HydrophobicContact CG2-CD1 3.49Å; V723-L745 VanDerWaalsContact CG2-CD1 3.49Å; V723-M748 HydrophobicContact CB-CE 4.21Å; V723-M748 HydrophobicContact CG2-CE 3.8Å
724	V	90.3	Very high	93.5	Very high	117 Å²	117	39.7 Å²	39.7	71%	0.709	21%	0.207	S	C	*	.	S	Bend	trans	-109	-38.8	178.2	-179.5	0	0	0	0	110.5	E713 M726	E713-V724 PolarHBondContact OE1-N 3.49Å; V724-M726 PolarHBondContact O-N 2.91Å
725	G	85.7	Confident	93.5	Very high	21 Å²	21	40.9 Å²	40.9	22%	0.216	22%	0.218	C	C	.	.	S	Bend	trans	-88.2	12.1	-176.2	0	0	0	0	0	115.9	E713 N727 R728 L729	E713-G725 PolarHBondContact OE1-N 3.45Å; G725-N727 PolarHBondContact O-N 3.3Å; G725-R728 PolarHBondContact O-N 3.18Å; G725-L729 PolarHBondContact O-N 3.2Å; G725-L729 VanDerWaalsContact O-N 3.11Å
726	M	89.7	Confident	93.5	Very high	18 Å²	18	40.9 Å²	40.9	9%	0.089	22%	0.218	C	C	.	.	H	α-helix	trans	-51.2	-58.3	-164.6	-175	59.8	86.2	0	0	112.7	V723 V724 R728 L729 A730 L733 L745 M748 C749 A752	V723-M726 HydrophobicContact CB-CB 4.41Å; V723-M726 HydrophobicContact CB-CE 4Å; V723-M726 HydrophobicContact CG1-CB 3.79Å; V723-M726 HydrophobicContact CG1-CE 3.98Å; V723-M726 HydrophobicContact CG1-SD 4.39Å; V723-M726 HydrophobicContact CG2-CE 3.9Å; V724-M726 PolarHBondContact O-N 2.91Å; M726-R728 PolarHBondContact O-N 2.91Å; M726-L729 PolarHBondContact O-N 3Å; M726-A730 WeakPolarHBondContact O-CB 3.29Å; M726-A730 PolarHBondContact O-N 3Å; M726-A730 HydrophobicContact SD-CB 4.34Å; M726-L733 HydrophobicContact SD-CD1 4.15Å; M726-L745 HydrophobicContact CE-CD1 4.34Å; M726-M748 HydrophobicContact CE-CB 3.62Å; M726-M748 HydrophobicContact CE-CE 4.28Å; M726-M748 WeakPolarHBondContact CE-O 3.24Å; M726-C749 HydrophobicContact SD-CB 4.4Å; M726-A752 HydrophobicContact CG-CB 3.55Å; M726-A752 HydrophobicContact SD-CB 4.14Å
727	N	86.6	Confident	93.6	Very high	159 Å²	159	39.8 Å²	39.8	85%	0.85	22%	0.215	S	C	*	.	H	α-helix	trans	-61.9	-11.8	-175.9	-52.4	38	0	0	0	114.3	G725	G725-N727 PolarHBondContact O-N 3.3Å
728	R	90.7	Very high	93.6	Very high	158 Å²	158	41.7 Å²	41.7	60%	0.596	23%	0.225	S	C	*	.	H	α-helix	trans	-101.5	-29.4	176.5	-165.8	-168.2	75.3	163.7	1.7	112.8	D709 G725 M726	D709-R728 IonicContact OD2-CZ 3.9Å; D709-R728 IonicContact OD2-NH1 3.17Å; D709-R728 IonicContact OD2-NH2 2.68Å; D709-R728 PolarHBondContact OD2-NH2 3.49Å; G725-R728 PolarHBondContact O-N 3.18Å; M726-R728 PolarHBondContact O-N 2.91Å
729	L	91.7	Very high	93.5	Very high	11 Å²	11	45.5 Å²	45.5	6%	0.058	24%	0.241	C	C	.	.	H	α-helix	trans	-121.9	15.4	-167.6	-61.4	177.8	0	0	0	113.1	E713 G725 M726 H731 E732 L733	E713-L729 HydrophobicContact CB-CD1 4.28Å; E713-L729 HydrophobicContact CG-CD1 4.4Å; G725-L729 PolarHBondContact O-N 3.2Å; G725-L729 VanDerWaalsContact O-N 3.11Å; M726-L729 PolarHBondContact O-N 3Å; L729-H731 VanDerWaalsContact C-N 3.29Å; L729-H731 PolarHBondContact O-N 3.35Å; L729-E732 VanDerWaalsContact C-OE2 3.23Å; L729-E732 VanDerWaalsContact CA-OE2 3.26Å; L729-E732 WeakPolarHBondContact CA-OE2 3.49Å; L729-E732 PolarHBondContact O-N 3.33Å; L729-L733 HydrophobicContact CB-CD1 3.84Å; L729-L733 HydrophobicContact CB-CG 3.9Å; L729-L733 WeakPolarHBondContact O-CB 3.43Å; L729-L733 WeakPolarHBondContact O-CG 3.28Å; L729-L733 PolarHBondContact O-N 2.86Å
730	A	94.7	Very high	93.5	Very high	11 Å²	11	45.6 Å²	45.6	9%	0.091	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-35.3	-170.4	0	0	0	0	0	113.4	M726 L734 L753	M726-A730 WeakPolarHBondContact O-CB 3.29Å; M726-A730 PolarHBondContact O-N 3Å; M726-A730 HydrophobicContact SD-CB 4.34Å; A730-L734 VanDerWaalsContact O-CB 3.27Å; A730-L734 WeakPolarHBondContact O-CB 3.16Å; A730-L734 PolarHBondContact O-N 3.48Å; A730-L753 HydrophobicContact CB-CD1 4.48Å; A730-L753 HydrophobicContact CB-CD2 3.73Å; A730-L753 HydrophobicContact CB-CG 3.89Å
731	H	93.5	Very high	93.6	Very high	62 Å²	62	50 Å²	50	29%	0.287	26%	0.261	S	S	.	.	H	α-helix	trans	-67.4	-48.1	176	-54.6	138.3	0	0	0	111.6	L729 L734 A735 L753 L768	L729-H731 VanDerWaalsContact C-N 3.29Å; L729-H731 PolarHBondContact O-N 3.35Å; H731-L734 PolarHBondContact O-N 3.36Å; H731-A735 PolarHBondContact O-N 2.86Å; H731-A735 VanDerWaalsContact O-N 3.13Å; H731-L753 WeakPolarHBondContact CD2-CD2 3.22Å; H731-L768 HydrophobicContact CB-CD1 3.99Å; H731-L768 WeakPolarHBondContact CD2-CD1 3.24Å
732	E	94.7	Very high	93.8	Very high	67 Å²	67	49.1 Å²	49.1	31%	0.313	25%	0.251	S	S	.	.	H	α-helix	trans	-72.4	-33.6	-177.1	-57.1	75.2	-167	0	0	111.4	T710 L729 A736	T710-E732 HydrophobicContact CG2-CB 3.63Å; T710-E732 WeakPolarHBondContact CG2-O 3.2Å; T710-E732 WeakPolarHBondContact OG1-CB 3.27Å; L729-E732 VanDerWaalsContact C-OE2 3.23Å; L729-E732 VanDerWaalsContact CA-OE2 3.26Å; L729-E732 WeakPolarHBondContact CA-OE2 3.49Å; L729-E732 PolarHBondContact O-N 3.33Å; E732-A736 WeakPolarHBondContact O-CB 3.43Å; E732-A736 PolarHBondContact O-N 3.42Å
733	L	96.8	Very high	93.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-71.9	-36	173.2	-71.5	172.7	0	0	0	112	T710 E713 V714 V723 M726 L729 A736 A737 C749	T710-L733 HydrophobicContact CG2-CD2 3.98Å; T710-L733 HydrophobicContact CG2-CG 4.33Å; E713-L733 HydrophobicContact CB-CD2 4.18Å; E713-L733 HydrophobicContact CG-CD1 4.19Å; E713-L733 HydrophobicContact CG-CD2 4.11Å; V714-L733 HydrophobicContact CG2-CD2 3.75Å; V723-L733 HydrophobicContact CG1-CD1 3.91Å; M726-L733 HydrophobicContact SD-CD1 4.15Å; L729-L733 HydrophobicContact CB-CD1 3.84Å; L729-L733 HydrophobicContact CB-CG 3.9Å; L729-L733 WeakPolarHBondContact O-CB 3.43Å; L729-L733 WeakPolarHBondContact O-CG 3.28Å; L729-L733 PolarHBondContact O-N 2.86Å; L733-A736 PolarHBondContact O-N 2.82Å; L733-A737 WeakPolarHBondContact O-CB 3.04Å; L733-A737 PolarHBondContact O-N 3.46Å; L733-C749 VanDerWaalsContact CB-SG 3.52Å
734	L	97.2	Very high	94	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-61.1	-50	172.6	-175.9	72.2	0	0	0	110.4	A730 H731 A736 A737 D738 K746 C749 E750 L753 H772 A774 L777	A730-L734 VanDerWaalsContact O-CB 3.27Å; A730-L734 WeakPolarHBondContact O-CB 3.16Å; A730-L734 PolarHBondContact O-N 3.48Å; H731-L734 PolarHBondContact O-N 3.36Å; L734-A736 VanDerWaalsContact C-N 3.3Å; L734-A736 PolarHBondContact O-N 2.9Å; L734-A737 PolarHBondContact O-N 3.36Å; L734-D738 PolarHBondContact O-N 2.82Å; L734-K746 HydrophobicContact CD1-CG 3.81Å; L734-C749 HydrophobicContact CB-CB 3.98Å; L734-C749 HydrophobicContact CD1-CB 3.98Å; L734-E750 HydrophobicContact CD1-CG 3.96Å; L734-L753 HydrophobicContact CB-CD1 4.45Å; L734-L753 HydrophobicContact CD2-CD1 3.93Å; L734-H772 HydrophobicContact CD2-CB 4.27Å; L734-H772 HydrophobicContact CG-CB 4.15Å; L734-A774 HydrophobicContact CD1-CB 4.12Å; L734-A774 HydrophobicContact CD2-CB 4.27Å; L734-L777 HydrophobicContact CD2-CD2 3.98Å
735	A	96.1	Very high	94.3	Very high	31 Å²	31	50.2 Å²	50.2	26%	0.256	24%	0.24	S	C	.	.	H	α-helix	trans	-57.1	-43.2	176.8	0	0	0	0	0	112.4	H731 K739 H772	H731-A735 PolarHBondContact O-N 2.86Å; H731-A735 VanDerWaalsContact O-N 3.13Å; A735-K739 VanDerWaalsContact O-CB 3.28Å; A735-K739 WeakPolarHBondContact O-CB 3.15Å; A735-K739 PolarHBondContact O-N 3.37Å; A735-H772 VanDerWaalsContact CB-CE1 3.48Å; A735-H772 WeakPolarHBondContact CB-CE1 3.32Å; A735-H772 WeakPolarHBondContact CB-NE2 3.32Å
736	A	96.5	Very high	94.8	Very high	2 Å²	2	49.9 Å²	49.9	2%	0.017	23%	0.233	C	C	.	.	H	α-helix	trans	-72.5	-35.1	177.9	0	0	0	0	0	113.3	M706 T710 V714 E732 L733 L734 Y740	M706-A736 HydrophobicContact CE-CB 3.37Å; M706-A736 HydrophobicContact SD-CB 3.87Å; T710-A736 HydrophobicContact CG2-CB 4.36Å; V714-A736 HydrophobicContact CG2-CB 3.7Å; E732-A736 WeakPolarHBondContact O-CB 3.43Å; E732-A736 PolarHBondContact O-N 3.42Å; L733-A736 PolarHBondContact O-N 2.82Å; L734-A736 VanDerWaalsContact C-N 3.3Å; L734-A736 PolarHBondContact O-N 2.9Å; A736-Y740 WeakPolarHBondContact O-CB 3.34Å; A736-Y740 WeakPolarHBondContact O-CD2 3.21Å; A736-Y740 PolarHBondContact O-N 3.11Å
737	A	97.2	Very high	95.1	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-66.8	-42	178.8	0	0	0	0	0	111.3	L733 L734 Q741 L742 L745 K746	L733-A737 WeakPolarHBondContact O-CB 3.04Å; L733-A737 PolarHBondContact O-N 3.46Å; L734-A737 PolarHBondContact O-N 3.36Å; A737-Q741 CarbonylContact O-C 3.58Å; A737-Q741 WeakPolarHBondContact O-CA 3.47Å; A737-Q741 PolarHBondContact O-N 2.92Å; A737-L742 HydrophobicContact CB-CB 4.36Å; A737-L742 PolarHBondContact O-N 2.93Å; A737-L745 HydrophobicContact CB-CB 3.95Å; A737-L745 HydrophobicContact CB-CD2 3.96Å; A737-L745 HydrophobicContact CB-CG 3.84Å; A737-K746 HydrophobicContact CB-CB 3.87Å
738	D	96.4	Very high	95.6	Very high	45 Å²	45	45 Å²	45	24%	0.241	21%	0.208	C	C	.	.	H	α-helix	trans	-64.8	-52	173	-166.6	59	0	0	0	110.7	L734 Y740 Q741 K746 H772	L734-D738 PolarHBondContact O-N 2.82Å; D738-Y740 VanDerWaalsContact C-N 3.29Å; D738-Y740 PolarHBondContact O-N 3.48Å; D738-Q741 PolarHBondContact O-N 3.01Å; D738-K746 HydrophobicContact CB-CD 4.47Å; D738-K746 IonicContact OD1-NZ 3.97Å; D738-K746 PolarHBondContact OD1-NZ 3.31Å; D738-H772 HydrophobicContact CB-CB 4.07Å; D738-H772 VanDerWaalsContact CG-O 3.28Å
739	K	95.6	Very high	95.8	Very high	83 Å²	83	37.5 Å²	37.5	36%	0.361	18%	0.18	S	C	.	.	H	α-helix	trans	-53.4	-39.4	177.8	174.4	174.2	172.8	171.8	0	114	D705 A735	D705-K739 IonicContact OD1-NZ 3.06Å; D705-K739 PolarHBondContact OD1-NZ 3.2Å; D705-K739 IonicContact OD2-NZ 3.24Å; D705-K739 PolarHBondContact OD2-NZ 3.18Å; A735-K739 VanDerWaalsContact O-CB 3.28Å; A735-K739 WeakPolarHBondContact O-CB 3.15Å; A735-K739 PolarHBondContact O-N 3.37Å
740	Y	96.4	Very high	96	Very high	9 Å²	9	37.4 Å²	37.4	4%	0.035	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	8.2	-179.1	-70.2	-75.1	0	0	0	113.9	S682 V684 F685 M706 A736 D738 L742	S682-Y740 WeakPolarHBondContact CB-O 3.13Å; S682-Y740 PolarHBondContact OG-O 3.22Å; V684-Y740 HydrophobicContact CB-CD1 4.33Å; V684-Y740 HydrophobicContact CG1-CD1 4.13Å; F685-Y740 HydrophobicContact CD1-CE1 4.47Å; F685-Y740 HydrophobicContact CD2-CD1 4.07Å; F685-Y740 HydrophobicContact CD2-CE1 4.49Å; F685-Y740 HydrophobicContact CE1-CD1 4.26Å; F685-Y740 AromaticContact CE1-CE1 3.75Å; F685-Y740 HydrophobicContact CE1-CE1 3.75Å; F685-Y740 AromaticContact CE2-CD1 3.57Å; F685-Y740 HydrophobicContact CE2-CD1 3.57Å; F685-Y740 AromaticContact CE2-CE1 3.77Å; F685-Y740 HydrophobicContact CE2-CE1 3.77Å; F685-Y740 HydrophobicContact CE2-CG 4.25Å; F685-Y740 AromaticContact CZ-CD1 3.68Å; F685-Y740 HydrophobicContact CZ-CD1 3.68Å; F685-Y740 AromaticContact CZ-CE1 3.33Å; F685-Y740 HydrophobicContact CZ-CE1 3.33Å; F685-Y740 AromaticContact CZ-CZ 4Å; M706-Y740 HydrophobicContact SD-CE2 3.75Å; A736-Y740 WeakPolarHBondContact O-CB 3.34Å; A736-Y740 WeakPolarHBondContact O-CD2 3.21Å; A736-Y740 PolarHBondContact O-N 3.11Å; D738-Y740 VanDerWaalsContact C-N 3.29Å; D738-Y740 PolarHBondContact O-N 3.48Å; Y740-L742 VanDerWaalsContact C-N 3.31Å; Y740-L742 PolarHBondContact O-N 3.43Å
741	Q	96.4	Very high	96	Very high	110 Å²	110	42.6 Å²	42.6	51%	0.514	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	46.7	179.9	-62.2	176.2	1.6	0	0	112.9	P683 V684 A737 D738 E743	P683-Q741 HydrophobicContact CG-CB 4.19Å; V684-Q741 HydrophobicContact CG2-CB 4.17Å; V684-Q741 HydrophobicContact CG2-CG 3.82Å; A737-Q741 CarbonylContact O-C 3.58Å; A737-Q741 WeakPolarHBondContact O-CA 3.47Å; A737-Q741 PolarHBondContact O-N 2.92Å; D738-Q741 PolarHBondContact O-N 3.01Å; Q741-E743 PolarHBondContact O-N 3.19Å
742	L	97.1	Very high	96.1	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	20%	0.195	C	C	.	.			trans	-94.8	62.3	-180	-63.3	174.6	0	0	0	110.4	R681 V714 Y717 I718 A737 Y740 R744 L745 K746	R681-L742 VanDerWaalsContact O-CD2 3.32Å; R681-L742 WeakPolarHBondContact O-CD2 3.03Å; V714-L742 HydrophobicContact CG1-CD1 3.69Å; Y717-L742 HydrophobicContact CD1-CD1 4.38Å; Y717-L742 HydrophobicContact CE1-CB 4.31Å; I718-L742 HydrophobicContact CD1-CD1 4.25Å; I718-L742 HydrophobicContact CD1-CD2 4.36Å; I718-L742 HydrophobicContact CG1-CD1 4.17Å; I718-L742 HydrophobicContact CG1-CD2 3.99Å; A737-L742 HydrophobicContact CB-CB 4.36Å; A737-L742 PolarHBondContact O-N 2.93Å; Y740-L742 VanDerWaalsContact C-N 3.31Å; Y740-L742 PolarHBondContact O-N 3.43Å; L742-R744 PolarHBondContact O-N 3.42Å; L742-R744 VanDerWaalsContact O-N 3.08Å; L742-L745 HydrophobicContact CB-CB 4.01Å; L742-L745 HydrophobicContact CB-CD2 4.47Å; L742-L745 HydrophobicContact CD1-CD2 4.04Å; L742-L745 WeakPolarHBondContact O-CA 3.42Å; L742-L745 VanDerWaalsContact O-CB 3.29Å; L742-L745 WeakPolarHBondContact O-CB 3.46Å; L742-L745 PolarHBondContact O-N 3.42Å; L742-K746 PolarHBondContact O-N 3.12Å
743	E	95.6	Very high	96.2	Very high	117 Å²	117	37.5 Å²	37.5	55%	0.547	18%	0.181	S	C	.	.	H	α-helix	trans	-43.5	-51.7	-165.2	-162.1	56.7	-144.3	0	0	115.4	Q741 L745 K746 T747	Q741-E743 PolarHBondContact O-N 3.19Å; E743-L745 VanDerWaalsContact C-N 3.29Å; E743-L745 PolarHBondContact O-N 3.24Å; E743-K746 WeakPolarHBondContact O-CA 3.37Å; E743-K746 WeakPolarHBondContact O-CB 3.48Å; E743-K746 PolarHBondContact O-N 3.21Å; E743-T747 PolarHBondContact O-N 3.33Å; E743-T747 PolarHBondContact O-OG1 2.71Å
744	R	95.8	Very high	96.1	Very high	144 Å²	144	39.9 Å²	39.9	54%	0.543	20%	0.195	S	C	.	.	H	α-helix	trans	-65.5	-26.2	178.7	176.7	174.5	178.4	-82.2	-3.8	114	Y717 G721 L742 M748	Y717-R744 WeakPolarHBondContact OH-CB 3.49Å; G721-R744 PolarHBondContact O-NH1 3.38Å; L742-R744 PolarHBondContact O-N 3.42Å; L742-R744 VanDerWaalsContact O-N 3.08Å; R744-M748 HydrophobicContact CG-SD 4.3Å; R744-M748 PolarHBondContact NH1-SD 2.85Å; R744-M748 WeakPolarHBondContact O-CG 3.41Å; R744-M748 PolarHBondContact O-N 3.04Å; R744-M748 VanDerWaalsContact O-N 3.13Å
745	L	96.8	Very high	95.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-70.3	-40	170.5	-179.3	61.3	0	0	0	110.4	V714 Y717 V723 M726 A737 L742 E743 M748 C749	V714-L745 HydrophobicContact CG2-CD2 4.28Å; Y717-L745 HydrophobicContact CD1-CB 3.92Å; Y717-L745 HydrophobicContact CD1-CD1 4.43Å; Y717-L745 HydrophobicContact CD1-CD2 3.9Å; Y717-L745 HydrophobicContact CD1-CG 4.31Å; Y717-L745 HydrophobicContact CD2-CB 4.43Å; Y717-L745 HydrophobicContact CD2-CD1 4Å; Y717-L745 HydrophobicContact CE1-CB 3.62Å; Y717-L745 HydrophobicContact CE1-CD2 4.42Å; Y717-L745 HydrophobicContact CE1-CG 4.49Å; Y717-L745 HydrophobicContact CE2-CB 4.15Å; Y717-L745 HydrophobicContact CE2-CD1 4.38Å; Y717-L745 HydrophobicContact CG-CB 4.32Å; Y717-L745 HydrophobicContact CG-CD1 4.03Å; Y717-L745 HydrophobicContact CG-CD2 4.16Å; Y717-L745 HydrophobicContact CG-CG 4.41Å; Y717-L745 PolarHBondContact OH-N 3.13Å; V723-L745 HydrophobicContact CG2-CD1 3.49Å; V723-L745 VanDerWaalsContact CG2-CD1 3.49Å; M726-L745 HydrophobicContact CE-CD1 4.34Å; A737-L745 HydrophobicContact CB-CB 3.95Å; A737-L745 HydrophobicContact CB-CD2 3.96Å; A737-L745 HydrophobicContact CB-CG 3.84Å; L742-L745 HydrophobicContact CB-CB 4.01Å; L742-L745 HydrophobicContact CB-CD2 4.47Å; L742-L745 HydrophobicContact CD1-CD2 4.04Å; L742-L745 WeakPolarHBondContact O-CA 3.42Å; L742-L745 VanDerWaalsContact O-CB 3.29Å; L742-L745 WeakPolarHBondContact O-CB 3.46Å; L742-L745 PolarHBondContact O-N 3.42Å; E743-L745 VanDerWaalsContact C-N 3.29Å; E743-L745 PolarHBondContact O-N 3.24Å; L745-M748 PolarHBondContact O-N 2.96Å; L745-C749 PolarHBondContact O-N 3.12Å; L745-C749 PolarHBondContact O-SG 2.99Å
746	K	96.5	Very high	95.8	Very high	14 Å²	14	49 Å²	49	6%	0.061	24%	0.238	C	C	.	.	H	α-helix	trans	-57.1	-52.7	175.8	-166.4	178.3	170.1	172.6	0	109.7	L734 A737 D738 L742 E743 M748 C749 E750 H772 N773	L734-K746 HydrophobicContact CD1-CG 3.81Å; A737-K746 HydrophobicContact CB-CB 3.87Å; D738-K746 HydrophobicContact CB-CD 4.47Å; D738-K746 IonicContact OD1-NZ 3.97Å; D738-K746 PolarHBondContact OD1-NZ 3.31Å; L742-K746 PolarHBondContact O-N 3.12Å; E743-K746 WeakPolarHBondContact O-CA 3.37Å; E743-K746 WeakPolarHBondContact O-CB 3.48Å; E743-K746 PolarHBondContact O-N 3.21Å; K746-M748 PolarHBondContact O-N 2.78Å; K746-C749 WeakPolarHBondContact O-CA 3.47Å; K746-C749 WeakPolarHBondContact O-CB 3.08Å; K746-C749 PolarHBondContact O-N 3.42Å; K746-E750 WeakPolarHBondContact O-CG 3.34Å; K746-E750 PolarHBondContact O-N 3.4Å; K746-H772 WeakPolarHBondContact CE-O 3.4Å; K746-H772 PolarHBondContact NZ-O 2.92Å; K746-N773 WeakPolarHBondContact CE-O 3.2Å; K746-N773 PolarHBondContact NZ-O 2.75Å
747	T	95.7	Very high	95.8	Very high	39 Å²	39	50.3 Å²	50.3	24%	0.239	25%	0.245	C	C	.	.	H	α-helix	trans	-55.2	-45.8	174.6	-37.8	0	0	0	0	112.9	E743 C749 E750 E751	E743-T747 PolarHBondContact O-N 3.33Å; E743-T747 PolarHBondContact O-OG1 2.71Å; T747-C749 VanDerWaalsContact C-N 3.26Å; T747-C749 PolarHBondContact O-N 3.02Å; T747-E750 WeakPolarHBondContact O-CB 3.49Å; T747-E750 PolarHBondContact O-N 3.23Å; T747-E750 VanDerWaalsContact O-N 3.16Å; T747-E751 WeakPolarHBondContact O-CG 3.33Å; T747-E751 PolarHBondContact O-N 3.27Å
748	M	95.4	Very high	95.7	Very high	36 Å²	36	52.6 Å²	52.6	18%	0.177	26%	0.26	C	S	.	.	H	α-helix	trans	-65.2	-27.4	178.1	-71.2	172.2	60.4	0	0	113.2	Y717 V723 M726 R744 L745 K746 A752	Y717-M748 HydrophobicContact CE2-SD 4.25Å; V723-M748 HydrophobicContact CB-CE 4.21Å; V723-M748 HydrophobicContact CG2-CE 3.8Å; M726-M748 HydrophobicContact CE-CB 3.62Å; M726-M748 HydrophobicContact CE-CE 4.28Å; M726-M748 WeakPolarHBondContact CE-O 3.24Å; R744-M748 HydrophobicContact CG-SD 4.3Å; R744-M748 PolarHBondContact NH1-SD 2.85Å; R744-M748 WeakPolarHBondContact O-CG 3.41Å; R744-M748 PolarHBondContact O-N 3.04Å; R744-M748 VanDerWaalsContact O-N 3.13Å; L745-M748 PolarHBondContact O-N 2.96Å; K746-M748 PolarHBondContact O-N 2.78Å; M748-A752 PolarHBondContact O-N 3.18Å
749	C	96.8	Very high	95.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-77.3	-39	172.3	-59.5	0	0	0	0	111.1	M726 L733 L734 L745 K746 T747 A752 L753	M726-C749 HydrophobicContact SD-CB 4.4Å; L733-C749 VanDerWaalsContact CB-SG 3.52Å; L734-C749 HydrophobicContact CB-CB 3.98Å; L734-C749 HydrophobicContact CD1-CB 3.98Å; L745-C749 PolarHBondContact O-N 3.12Å; L745-C749 PolarHBondContact O-SG 2.99Å; K746-C749 WeakPolarHBondContact O-CA 3.47Å; K746-C749 WeakPolarHBondContact O-CB 3.08Å; K746-C749 PolarHBondContact O-N 3.42Å; T747-C749 VanDerWaalsContact C-N 3.26Å; T747-C749 PolarHBondContact O-N 3.02Å; C749-A752 PolarHBondContact O-N 3.14Å; C749-L753 WeakPolarHBondContact O-CB 3.3Å; C749-L753 VanDerWaalsContact O-CG 3.22Å; C749-L753 WeakPolarHBondContact O-CG 3.44Å; C749-L753 PolarHBondContact O-N 3.49Å
750	E	95.9	Very high	95.7	Very high	10 Å²	10	54.8 Å²	54.8	5%	0.047	27%	0.273	C	S	.	.	H	α-helix	trans	-60.2	-46.1	174.2	-67.8	-176.2	-110	0	0	111.6	L734 K746 T747 L753 V754 A774 Q776 L777	L734-E750 HydrophobicContact CD1-CG 3.96Å; K746-E750 WeakPolarHBondContact O-CG 3.34Å; K746-E750 PolarHBondContact O-N 3.4Å; T747-E750 WeakPolarHBondContact O-CB 3.49Å; T747-E750 PolarHBondContact O-N 3.23Å; T747-E750 VanDerWaalsContact O-N 3.16Å; E750-L753 PolarHBondContact O-N 3.06Å; E750-V754 WeakPolarHBondContact O-CG2 3.45Å; E750-V754 PolarHBondContact O-N 2.91Å; E750-A774 HydrophobicContact CG-CB 3.94Å; E750-Q776 WeakPolarHBondContact OE2-CB 3.22Å; E750-Q776 PolarHBondContact OE2-N 2.91Å; E750-L777 HydrophobicContact CB-CB 3.91Å; E750-L777 HydrophobicContact CG-CB 3.69Å; E750-L777 HydrophobicContact CG-CD2 4.35Å; E750-L777 WeakPolarHBondContact OE2-CB 3.34Å; E750-L777 PolarHBondContact OE2-N 2.76Å
751	E	94.6	Very high	95.7	Very high	120 Å²	120	56.2 Å²	56.2	56%	0.561	28%	0.281	S	S	*	.	H	α-helix	trans	-55.1	-52.7	173.7	-72.2	170.5	165.6	0	0	111.6	T747 L753 V754 E755	T747-E751 WeakPolarHBondContact O-CG 3.33Å; T747-E751 PolarHBondContact O-N 3.27Å; E751-L753 VanDerWaalsContact C-N 3.32Å; E751-L753 PolarHBondContact O-N 3.15Å; E751-V754 PolarHBondContact O-N 3.39Å; E751-E755 PolarHBondContact O-N 3.04Å
752	A	94.8	Very high	95.7	Very high	18 Å²	18	51 Å²	51	15%	0.149	26%	0.257	C	S	.	.	H	α-helix	trans	-65.8	-31.4	-179.3	0	0	0	0	0	113.5	M726 M748 C749 S756	M726-A752 HydrophobicContact CG-CB 3.55Å; M726-A752 HydrophobicContact SD-CB 4.14Å; M748-A752 PolarHBondContact O-N 3.18Å; C749-A752 PolarHBondContact O-N 3.14Å; A752-S756 PolarHBondContact O-N 3.33Å
753	L	96	Very high	95.6	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-74.5	-39.1	176.3	-72	170.4	0	0	0	111.6	A730 H731 L734 C749 E750 E751 E755 S756 L757 I765 L777	A730-L753 HydrophobicContact CB-CD1 4.48Å; A730-L753 HydrophobicContact CB-CD2 3.73Å; A730-L753 HydrophobicContact CB-CG 3.89Å; H731-L753 WeakPolarHBondContact CD2-CD2 3.22Å; L734-L753 HydrophobicContact CB-CD1 4.45Å; L734-L753 HydrophobicContact CD2-CD1 3.93Å; C749-L753 WeakPolarHBondContact O-CB 3.3Å; C749-L753 VanDerWaalsContact O-CG 3.22Å; C749-L753 WeakPolarHBondContact O-CG 3.44Å; C749-L753 PolarHBondContact O-N 3.49Å; E750-L753 PolarHBondContact O-N 3.06Å; E751-L753 VanDerWaalsContact C-N 3.32Å; E751-L753 PolarHBondContact O-N 3.15Å; L753-E755 VanDerWaalsContact C-N 3.34Å; L753-E755 PolarHBondContact O-N 3.13Å; L753-S756 WeakPolarHBondContact CA-OG 3.46Å; L753-S756 CarbonylContact O-C 3.2Å; L753-S756 WeakPolarHBondContact O-CA 3.41Å; L753-S756 PolarHBondContact O-N 3.15Å; L753-S756 PolarHBondContact O-OG 3.17Å; L753-L757 PolarHBondContact O-N 3.25Å; L753-I765 HydrophobicContact CD2-CD1 4.48Å; L753-L777 HydrophobicContact CB-CD1 3.66Å; L753-L777 HydrophobicContact CB-CD2 3.97Å; L753-L777 HydrophobicContact CB-CG 4.49Å; L753-L777 HydrophobicContact CD1-CD2 3.65Å; L753-L777 HydrophobicContact CG-CD2 4.46Å
754	V	95.3	Very high	95.5	Very high	50 Å²	50	47.5 Å²	47.5	30%	0.303	24%	0.242	S	C	.	.	H	α-helix	trans	-59.8	-42.5	170.9	171.3	0	0	0	0	111.4	E750 E751 S756 L757 L777 H780	E750-V754 WeakPolarHBondContact O-CG2 3.45Å; E750-V754 PolarHBondContact O-N 2.91Å; E751-V754 PolarHBondContact O-N 3.39Å; V754-S756 PolarHBondContact O-N 2.85Å; V754-L757 HydrophobicContact CB-CD1 4.46Å; V754-L757 HydrophobicContact CG1-CD1 4.38Å; V754-L757 HydrophobicContact CG2-CD1 4.43Å; V754-L757 WeakPolarHBondContact O-CB 3.5Å; V754-L757 PolarHBondContact O-N 3.45Å; V754-L777 HydrophobicContact CG2-CD1 3.66Å; V754-H780 HydrophobicContact CG2-CB 3.87Å
755	E	94	Very high	95.5	Very high	175 Å²	175	40.6 Å²	40.6	82%	0.818	22%	0.216	S	C	*	.	H	α-helix	trans	-62.5	-20.2	174	-73.1	-169.2	166.4	0	0	113.6	E751 L753	E751-E755 PolarHBondContact O-N 3.04Å; L753-E755 VanDerWaalsContact C-N 3.34Å; L753-E755 PolarHBondContact O-N 3.13Å
756	S	93.6	Very high	95.5	Very high	49 Å²	49	40.6 Å²	40.6	34%	0.343	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	3.3	179.4	78.1	0	0	0	0	115.1	A752 L753 V754 S758 N761	A752-S756 PolarHBondContact O-N 3.33Å; L753-S756 WeakPolarHBondContact CA-OG 3.46Å; L753-S756 CarbonylContact O-C 3.2Å; L753-S756 WeakPolarHBondContact O-CA 3.41Å; L753-S756 PolarHBondContact O-N 3.15Å; L753-S756 PolarHBondContact O-OG 3.17Å; V754-S756 PolarHBondContact O-N 2.85Å; S756-S758 PolarHBondContact O-N 3.36Å; S756-N761 PolarHBondContact O-ND2 3.25Å
757	L	95.3	Very high	95.4	Very high	30 Å²	30	40 Å²	40	16%	0.157	21%	0.214	C	C	.	.			trans	-63.8	133.6	-177.6	-80.7	170.8	0	0	0	112.3	L753 V754 I765 T781 F784	L753-L757 PolarHBondContact O-N 3.25Å; V754-L757 HydrophobicContact CB-CD1 4.46Å; V754-L757 HydrophobicContact CG1-CD1 4.38Å; V754-L757 HydrophobicContact CG2-CD1 4.43Å; V754-L757 WeakPolarHBondContact O-CB 3.5Å; V754-L757 PolarHBondContact O-N 3.45Å; L757-I765 HydrophobicContact CD2-CB 4.21Å; L757-I765 HydrophobicContact CD2-CD1 3.97Å; L757-I765 HydrophobicContact CD2-CG2 3.99Å; L757-T781 HydrophobicContact CD2-CG2 3.71Å; L757-F784 HydrophobicContact CB-CD2 4.29Å; L757-F784 HydrophobicContact CB-CE2 4.43Å; L757-F784 HydrophobicContact CB-CG 4.47Å; L757-F784 HydrophobicContact CD1-CB 4.31Å
758	S	96.3	Very high	95.3	Very high	48 Å²	48	38.9 Å²	38.9	34%	0.336	21%	0.206	S	C	.	.			trans	-148.8	166.6	177.2	72.5	0	0	0	0	109.6	S756 E760 N761 A762 F784	S756-S758 PolarHBondContact O-N 3.36Å; S758-E760 VanDerWaalsContact C-N 3.28Å; S758-E760 PolarHBondContact O-N 2.99Å; S758-N761 WeakPolarHBondContact CA-OD1 3.28Å; S758-N761 WeakPolarHBondContact CB-OD1 3.37Å; S758-N761 PolarHBondContact N-OD1 3.4Å; S758-N761 PolarHBondContact O-N 2.98Å; S758-N761 PolarHBondContact O-OD1 2.89Å; S758-N761 VanDerWaalsContact OG-CG 3.27Å; S758-N761 PolarHBondContact OG-OD1 3.15Å; S758-A762 WeakPolarHBondContact O-CB 3.36Å; S758-A762 PolarHBondContact O-N 3.33Å; S758-A762 VanDerWaalsContact O-N 3.1Å; S758-F784 VanDerWaalsContact C-CE1 3.46Å; S758-F784 WeakPolarHBondContact O-CE1 3.48Å
759	V	96.7	Very high	95.3	Very high	37 Å²	37	37.1 Å²	37.1	22%	0.224	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-44	179	175.7	0	0	0	0	111.5	H788 D791 V792 T795	V759-H788 HydrophobicContact CG2-CB 4.24Å; V759-D791 HydrophobicContact CG1-CB 3.81Å; V759-D791 HydrophobicContact CG2-CB 4.36Å; V759-V792 HydrophobicContact CG1-CG2 3.99Å; V759-T795 HydrophobicContact CG1-CG2 3.8Å
760	E	95.7	Very high	95.2	Very high	137 Å²	137	40 Å²	40	64%	0.64	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-39.1	-174.7	-54.4	-63.5	165	0	0	113.7	S758	S758-E760 VanDerWaalsContact C-N 3.28Å; S758-E760 PolarHBondContact O-N 2.99Å
761	N	95.7	Very high	95.1	Very high	39 Å²	39	43.8 Å²	43.8	21%	0.209	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-1.2	-175.5	69.3	-9.9	0	0	0	114.3	S756 S758 C763 D764 I765	S756-N761 PolarHBondContact O-ND2 3.25Å; S758-N761 WeakPolarHBondContact CA-OD1 3.28Å; S758-N761 WeakPolarHBondContact CB-OD1 3.37Å; S758-N761 PolarHBondContact N-OD1 3.4Å; S758-N761 PolarHBondContact O-N 2.98Å; S758-N761 PolarHBondContact O-OD1 2.89Å; S758-N761 VanDerWaalsContact OG-CG 3.27Å; S758-N761 PolarHBondContact OG-OD1 3.15Å; N761-C763 PolarHBondContact O-N 3.41Å; N761-D764 PolarHBondContact O-N 2.93Å; N761-I765 HydrophobicContact CB-CD1 4.32Å; N761-I765 WeakPolarHBondContact ND2-CD1 3.45Å; N761-I765 WeakPolarHBondContact O-CG1 3.32Å; N761-I765 PolarHBondContact O-N 3.23Å
762	A	96.3	Very high	95.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.3	-44.3	-176.2	0	0	0	0	0	112.9	S758 F766 T781 F784 I785 V792	S758-A762 WeakPolarHBondContact O-CB 3.36Å; S758-A762 PolarHBondContact O-N 3.33Å; S758-A762 VanDerWaalsContact O-N 3.1Å; A762-F766 VanDerWaalsContact O-CB 3.27Å; A762-F766 WeakPolarHBondContact O-CB 3.48Å; A762-F766 PolarHBondContact O-N 3.27Å; A762-T781 WeakPolarHBondContact O-CG2 3.26Å; A762-F784 HydrophobicContact CB-CD1 3.94Å; A762-F784 HydrophobicContact CB-CE1 4.14Å; A762-I785 HydrophobicContact CB-CD1 4.3Å; A762-I785 HydrophobicContact CB-CG1 3.75Å; A762-V792 HydrophobicContact CB-CG2 4.47Å
763	C	95.3	Very high	95	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.02	23%	0.232	C	C	.	.	H	α-helix	trans	-67.9	-34.6	178.7	-69.2	0	0	0	0	113.1	N761 G767 V792 G797 L801	N761-C763 PolarHBondContact O-N 3.41Å; C763-G767 PolarHBondContact O-N 3.05Å; C763-V792 VanDerWaalsContact SG-CG1 3.57Å; C763-G797 VanDerWaalsContact CB-C 3.46Å; C763-G797 WeakPolarHBondContact CB-O 3.28Å; C763-L801 HydrophobicContact CB-CB 4.31Å; C763-L801 HydrophobicContact CB-CD2 4.26Å
764	D	93.7	Very high	95	Very high	45 Å²	45	43.6 Å²	43.6	24%	0.241	23%	0.231	C	C	.	.	H	α-helix	trans	-67.9	-49.4	176.4	-70.7	-13	0	0	0	110.8	I241 N761 F766 G767 L768	I241-D764 HydrophobicContact CG2-CB 3.82Å; I241-D764 VanDerWaalsContact CG2-CG 3.4Å; I241-D764 WeakPolarHBondContact CG2-OD1 3.39Å; N761-D764 PolarHBondContact O-N 2.93Å; D764-F766 VanDerWaalsContact C-N 3.32Å; D764-F766 PolarHBondContact O-N 3.02Å; D764-G767 CarbonylContact O-C 3.56Å; D764-G767 WeakPolarHBondContact O-CA 3.06Å; D764-G767 PolarHBondContact O-N 3.2Å; D764-G767 VanDerWaalsContact O-N 3.12Å; D764-L768 WeakPolarHBondContact O-CG 3.04Å; D764-L768 PolarHBondContact O-N 2.78Å
765	I	95.8	Very high	94.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-38.6	177.6	-68.6	175.7	0	0	0	110.8	L753 L757 N761 G767 L768 A769 L777 T781	L753-I765 HydrophobicContact CD2-CD1 4.48Å; L757-I765 HydrophobicContact CD2-CB 4.21Å; L757-I765 HydrophobicContact CD2-CD1 3.97Å; L757-I765 HydrophobicContact CD2-CG2 3.99Å; N761-I765 HydrophobicContact CB-CD1 4.32Å; N761-I765 WeakPolarHBondContact ND2-CD1 3.45Å; N761-I765 WeakPolarHBondContact O-CG1 3.32Å; N761-I765 PolarHBondContact O-N 3.23Å; I765-G767 VanDerWaalsContact C-N 3.33Å; I765-G767 PolarHBondContact O-N 2.95Å; I765-L768 PolarHBondContact O-N 3.4Å; I765-A769 WeakPolarHBondContact O-CB 3.45Å; I765-A769 PolarHBondContact O-N 3.04Å; I765-L777 HydrophobicContact CG2-CD1 3.71Å; I765-L777 HydrophobicContact CG2-CD2 4.1Å; I765-L777 HydrophobicContact CG2-CG 4.02Å; I765-T781 HydrophobicContact CB-CG2 4.42Å; I765-T781 HydrophobicContact CG2-CG2 4.24Å
766	F	95.3	Very high	94.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-39.9	174.1	-170	-133.9	0	0	0	111.9	A762 D764 D770 K778 T781 L782 I785 L801 L808 C812	A762-F766 VanDerWaalsContact O-CB 3.27Å; A762-F766 WeakPolarHBondContact O-CB 3.48Å; A762-F766 PolarHBondContact O-N 3.27Å; D764-F766 VanDerWaalsContact C-N 3.32Å; D764-F766 PolarHBondContact O-N 3.02Å; F766-D770 PolarHBondContact O-N 2.88Å; F766-D770 VanDerWaalsContact O-N 3.15Å; F766-K778 HydrophobicContact CD2-CG 3.92Å; F766-K778 HydrophobicContact CE2-CD 4.47Å; F766-K778 HydrophobicContact CE2-CG 3.6Å; F766-T781 HydrophobicContact CB-CG2 3.74Å; F766-T781 HydrophobicContact CD2-CG2 4.49Å; F766-T781 HydrophobicContact CG-CG2 4.5Å; F766-L782 HydrophobicContact CE2-CB 3.85Å; F766-L782 HydrophobicContact CZ-CB 4.34Å; F766-L782 HydrophobicContact CZ-CD1 4.19Å; F766-I785 HydrophobicContact CB-CD1 3.82Å; F766-I785 HydrophobicContact CD1-CD1 3.96Å; F766-I785 HydrophobicContact CG-CD1 3.91Å; F766-L801 HydrophobicContact CD1-CD2 4.29Å; F766-L808 HydrophobicContact CD1-CB 4.24Å; F766-L808 HydrophobicContact CD1-CD1 4.3Å; F766-L808 HydrophobicContact CD1-CD2 4.36Å; F766-L808 HydrophobicContact CE1-CB 3.76Å; F766-L808 HydrophobicContact CE1-CD1 4.49Å; F766-L808 HydrophobicContact CE1-CD2 3.86Å; F766-L808 HydrophobicContact CE1-CG 4.25Å; F766-L808 HydrophobicContact CZ-CD2 3.94Å; F766-C812 VanDerWaalsContact CE1-SG 3.57Å
767	G	94.4	Very high	94.8	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-65.1	-41.2	172.6	0	0	0	0	0	113.3	C763 D764 I765 M771 R805	C763-G767 PolarHBondContact O-N 3.05Å; D764-G767 CarbonylContact O-C 3.56Å; D764-G767 WeakPolarHBondContact O-CA 3.06Å; D764-G767 PolarHBondContact O-N 3.2Å; D764-G767 VanDerWaalsContact O-N 3.12Å; I765-G767 VanDerWaalsContact C-N 3.33Å; I765-G767 PolarHBondContact O-N 2.95Å; G767-M771 VanDerWaalsContact O-CB 3.26Å; G767-M771 WeakPolarHBondContact O-CB 3.38Å; G767-M771 PolarHBondContact O-N 3.36Å; G767-M771 VanDerWaalsContact O-N 3.1Å; G767-R805 PolarHBondContact O-NH1 3.42Å
768	L	94.2	Very high	94.8	Very high	15 Å²	15	43.3 Å²	43.3	8%	0.079	22%	0.22	C	C	.	.	H	α-helix	trans	-67	-39.4	176.1	-69.1	174.5	0	0	0	111.7	H731 D764 I765 M771 H772	H731-L768 HydrophobicContact CB-CD1 3.99Å; H731-L768 WeakPolarHBondContact CD2-CD1 3.24Å; D764-L768 WeakPolarHBondContact O-CG 3.04Å; D764-L768 PolarHBondContact O-N 2.78Å; I765-L768 PolarHBondContact O-N 3.4Å; L768-M771 HydrophobicContact CD2-CE 3.78Å; L768-M771 PolarHBondContact O-N 3.05Å; L768-H772 PolarHBondContact O-CD2 3.32Å; L768-H772 PolarHBondContact O-N 3.03Å
769	A	96.1	Very high	94.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.6	-41.9	179.9	0	0	0	0	0	112.5	I765 N773 A774 L777 K778	I765-A769 WeakPolarHBondContact O-CB 3.45Å; I765-A769 PolarHBondContact O-N 3.04Å; A769-N773 PolarHBondContact O-N 2.72Å; A769-A774 HydrophobicContact CB-CB 4.25Å; A769-A774 PolarHBondContact O-N 2.9Å; A769-L777 HydrophobicContact CB-CB 4.16Å; A769-L777 HydrophobicContact CB-CD2 3.85Å; A769-L777 HydrophobicContact CB-CG 3.81Å; A769-K778 HydrophobicContact CB-CB 3.79Å; A769-K778 HydrophobicContact CB-CG 4.37Å
770	D	94.3	Very high	94.5	Very high	59 Å²	59	46.4 Å²	46.4	32%	0.316	24%	0.236	S	C	.	.	H	α-helix	trans	-63.6	-40.1	171.6	-175.3	66	0	0	0	112.7	F766 H772 K778 L808	F766-D770 PolarHBondContact O-N 2.88Å; F766-D770 VanDerWaalsContact O-N 3.15Å; D770-H772 VanDerWaalsContact C-N 3.25Å; D770-H772 PolarHBondContact O-N 3.25Å; D770-K778 HydrophobicContact CB-CD 4.31Å; D770-K778 IonicContact OD1-NZ 3.55Å; D770-K778 PolarHBondContact OD1-NZ 2.72Å; D770-L808 HydrophobicContact CB-CD1 4.06Å; D770-L808 HydrophobicContact CB-CD2 3.81Å; D770-L808 HydrophobicContact CB-CG 4.46Å
771	M	93.9	Very high	94.5	Very high	90 Å²	90	39.9 Å²	39.9	44%	0.443	21%	0.206	S	C	.	.	H	α-helix	trans	-71	-19	-176.7	-167.2	167.5	78.3	0	0	114	G767 L768 R805	G767-M771 VanDerWaalsContact O-CB 3.26Å; G767-M771 WeakPolarHBondContact O-CB 3.38Å; G767-M771 PolarHBondContact O-N 3.36Å; G767-M771 VanDerWaalsContact O-N 3.1Å; L768-M771 HydrophobicContact CD2-CE 3.78Å; L768-M771 PolarHBondContact O-N 3.05Å; M771-R805 PolarHBondContact SD-NH2 2.8Å; M771-R805 VanDerWaalsContact SD-NH2 3.43Å
772	H	95.4	Very high	94.4	Very high	24 Å²	24	38.9 Å²	38.9	11%	0.111	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	24.2	-177.4	-61.7	-49.6	0	0	0	112.9	L734 A735 D738 K746 L768 D770 A774	L734-H772 HydrophobicContact CD2-CB 4.27Å; L734-H772 HydrophobicContact CG-CB 4.15Å; A735-H772 VanDerWaalsContact CB-CE1 3.48Å; A735-H772 WeakPolarHBondContact CB-CE1 3.32Å; A735-H772 WeakPolarHBondContact CB-NE2 3.32Å; D738-H772 HydrophobicContact CB-CB 4.07Å; D738-H772 VanDerWaalsContact CG-O 3.28Å; K746-H772 WeakPolarHBondContact CE-O 3.4Å; K746-H772 PolarHBondContact NZ-O 2.92Å; L768-H772 PolarHBondContact O-CD2 3.32Å; L768-H772 PolarHBondContact O-N 3.03Å; D770-H772 VanDerWaalsContact C-N 3.25Å; D770-H772 PolarHBondContact O-N 3.25Å; H772-A774 PolarHBondContact O-N 2.86Å
773	N	92	Very high	94.2	Very high	113 Å²	113	45 Å²	45	60%	0.604	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.9	43	178.4	-63.9	-15	0	0	0	113	K746 A769 E775	K746-N773 WeakPolarHBondContact CE-O 3.2Å; K746-N773 PolarHBondContact NZ-O 2.75Å; A769-N773 PolarHBondContact O-N 2.72Å; N773-E775 PolarHBondContact O-N 2.99Å
774	A	94.8	Very high	94.2	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.			trans	-95.4	75.8	-174.7	0	0	0	0	0	109.1	L734 E750 A769 H772 Q776 L777 K778	L734-A774 HydrophobicContact CD1-CB 4.12Å; L734-A774 HydrophobicContact CD2-CB 4.27Å; E750-A774 HydrophobicContact CG-CB 3.94Å; A769-A774 HydrophobicContact CB-CB 4.25Å; A769-A774 PolarHBondContact O-N 2.9Å; H772-A774 PolarHBondContact O-N 2.86Å; A774-Q776 VanDerWaalsContact C-N 3.33Å; A774-Q776 PolarHBondContact O-N 3.05Å; A774-L777 HydrophobicContact CB-CB 4.23Å; A774-L777 HydrophobicContact CB-CD2 4.46Å; A774-L777 PolarHBondContact O-N 3.25Å; A774-K778 VanDerWaalsContact O-CB 3.28Å; A774-K778 WeakPolarHBondContact O-CB 3.32Å; A774-K778 PolarHBondContact O-N 2.91Å
775	E	92.4	Very high	94.3	Very high	159 Å²	159	45.7 Å²	45.7	74%	0.743	23%	0.23	S	C	*	.	H	α-helix	trans	-62	-36.1	-164.9	-62.4	-175.7	169.8	0	0	113.4	N773 K778 A779	N773-E775 PolarHBondContact O-N 2.99Å; E775-K778 PolarHBondContact O-N 2.96Å; E775-A779 WeakPolarHBondContact O-CB 3.42Å; E775-A779 PolarHBondContact O-N 2.85Å
776	Q	91.6	Very high	94	Very high	110 Å²	110	47.6 Å²	47.6	51%	0.514	24%	0.24	S	C	.	.	H	α-helix	trans	-72	-47.7	-179.3	-61.2	178.8	81.6	0	0	110.3	E750 A774 K778 A779 H780	E750-Q776 WeakPolarHBondContact OE2-CB 3.22Å; E750-Q776 PolarHBondContact OE2-N 2.91Å; A774-Q776 VanDerWaalsContact C-N 3.33Å; A774-Q776 PolarHBondContact O-N 3.05Å; Q776-K778 VanDerWaalsContact C-N 3.29Å; Q776-K778 PolarHBondContact O-N 2.98Å; Q776-A779 PolarHBondContact O-N 3.18Å; Q776-H780 PolarHBondContact O-N 3.29Å; Q776-H780 PolarHBondContact O-ND1 3.24Å
777	L	96.2	Very high	93.9	Very high	1 Å²	1	54 Å²	54	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-59.1	-41.4	173.4	178.1	64.4	0	0	0	111.5	L734 E750 L753 V754 I765 A769 A774 A779 T781	L734-L777 HydrophobicContact CD2-CD2 3.98Å; E750-L777 HydrophobicContact CB-CB 3.91Å; E750-L777 HydrophobicContact CG-CB 3.69Å; E750-L777 HydrophobicContact CG-CD2 4.35Å; E750-L777 WeakPolarHBondContact OE2-CB 3.34Å; E750-L777 PolarHBondContact OE2-N 2.76Å; L753-L777 HydrophobicContact CB-CD1 3.66Å; L753-L777 HydrophobicContact CB-CD2 3.97Å; L753-L777 HydrophobicContact CB-CG 4.49Å; L753-L777 HydrophobicContact CD1-CD2 3.65Å; L753-L777 HydrophobicContact CG-CD2 4.46Å; V754-L777 HydrophobicContact CG2-CD1 3.66Å; I765-L777 HydrophobicContact CG2-CD1 3.71Å; I765-L777 HydrophobicContact CG2-CD2 4.1Å; I765-L777 HydrophobicContact CG2-CG 4.02Å; A769-L777 HydrophobicContact CB-CB 4.16Å; A769-L777 HydrophobicContact CB-CD2 3.85Å; A769-L777 HydrophobicContact CB-CG 3.81Å; A774-L777 HydrophobicContact CB-CB 4.23Å; A774-L777 HydrophobicContact CB-CD2 4.46Å; A774-L777 PolarHBondContact O-N 3.25Å; L777-A779 PolarHBondContact O-N 3.2Å; L777-T781 VanDerWaalsContact O-CB 3.25Å; L777-T781 WeakPolarHBondContact O-CB 3.43Å; L777-T781 PolarHBondContact O-N 2.63Å; L777-T781 PolarHBondContact O-OG1 2.94Å
778	K	95.3	Very high	93.8	Very high	29 Å²	29	56.6 Å²	56.6	13%	0.126	29%	0.285	C	S	.	.	H	α-helix	trans	-61.9	-44	178.6	-167.9	175.4	179.2	-172.3	0	111.4	F766 A769 D770 A774 E775 Q776 L782 E811	F766-K778 HydrophobicContact CD2-CG 3.92Å; F766-K778 HydrophobicContact CE2-CD 4.47Å; F766-K778 HydrophobicContact CE2-CG 3.6Å; A769-K778 HydrophobicContact CB-CB 3.79Å; A769-K778 HydrophobicContact CB-CG 4.37Å; D770-K778 HydrophobicContact CB-CD 4.31Å; D770-K778 IonicContact OD1-NZ 3.55Å; D770-K778 PolarHBondContact OD1-NZ 2.72Å; A774-K778 VanDerWaalsContact O-CB 3.28Å; A774-K778 WeakPolarHBondContact O-CB 3.32Å; A774-K778 PolarHBondContact O-N 2.91Å; E775-K778 PolarHBondContact O-N 2.96Å; Q776-K778 VanDerWaalsContact C-N 3.29Å; Q776-K778 PolarHBondContact O-N 2.98Å; K778-L782 VanDerWaalsContact O-CB 3.25Å; K778-L782 WeakPolarHBondContact O-CB 3.42Å; K778-L782 PolarHBondContact O-N 3.3Å; K778-E811 WeakPolarHBondContact CE-OE1 3.2Å; K778-E811 WeakPolarHBondContact CE-OE2 3.48Å; K778-E811 IonicContact NZ-OE1 2.68Å; K778-E811 PolarHBondContact NZ-OE1 3.22Å; K778-E811 IonicContact NZ-OE2 3.44Å; K778-E811 PolarHBondContact NZ-OE2 3.04Å
779	A	93.2	Very high	93.7	Very high	57 Å²	57	58 Å²	58	47%	0.471	30%	0.298	S	S	.	.	H	α-helix	trans	-65.2	-49.5	176.9	0	0	0	0	0	112.9	E775 Q776 L777 T781 L782 E783	E775-A779 WeakPolarHBondContact O-CB 3.42Å; E775-A779 PolarHBondContact O-N 2.85Å; Q776-A779 PolarHBondContact O-N 3.18Å; L777-A779 PolarHBondContact O-N 3.2Å; A779-T781 PolarHBondContact O-N 3.26Å; A779-L782 PolarHBondContact O-N 3.4Å; A779-E783 PolarHBondContact O-N 2.87Å
780	H	93.2	Very high	93.5	Very high	93 Å²	93	64.2 Å²	64.2	43%	0.431	33%	0.327	S	S	.	.	H	α-helix	trans	-63.8	-39.8	178.9	-71.4	88.3	0	0	0	112.1	V754 Q776 L782 E783 F784	V754-H780 HydrophobicContact CG2-CB 3.87Å; Q776-H780 PolarHBondContact O-N 3.29Å; Q776-H780 PolarHBondContact O-ND1 3.24Å; H780-L782 VanDerWaalsContact C-N 3.34Å; H780-E783 PolarHBondContact O-N 3.24Å; H780-F784 WeakPolarHBondContact O-CB 3.26Å; H780-F784 PolarHBondContact O-N 2.92Å
781	T	95.9	Very high	93.6	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-67.2	-37.3	177.1	-51.4	0	0	0	0	111.3	L757 A762 I765 F766 L777 A779 F784 I785	L757-T781 HydrophobicContact CD2-CG2 3.71Å; A762-T781 WeakPolarHBondContact O-CG2 3.26Å; I765-T781 HydrophobicContact CB-CG2 4.42Å; I765-T781 HydrophobicContact CG2-CG2 4.24Å; F766-T781 HydrophobicContact CB-CG2 3.74Å; F766-T781 HydrophobicContact CD2-CG2 4.49Å; F766-T781 HydrophobicContact CG-CG2 4.5Å; L777-T781 VanDerWaalsContact O-CB 3.25Å; L777-T781 WeakPolarHBondContact O-CB 3.43Å; L777-T781 PolarHBondContact O-N 2.63Å; L777-T781 PolarHBondContact O-OG1 2.94Å; A779-T781 PolarHBondContact O-N 3.26Å; T781-F784 PolarHBondContact O-N 3.25Å; T781-I785 HydrophobicContact CG2-CD1 4.08Å; T781-I785 HydrophobicContact CG2-CG1 4.47Å; T781-I785 WeakPolarHBondContact O-CB 3.34Å; T781-I785 VanDerWaalsContact O-CG1 3.27Å; T781-I785 WeakPolarHBondContact O-CG1 3.49Å; T781-I785 PolarHBondContact O-N 3.42Å
782	L	93.8	Very high	93.6	Very high	17 Å²	17	60.8 Å²	60.8	9%	0.089	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-42.9	174.6	175.5	54.9	0	0	0	112.2	F766 K778 A779 H780 F784 I785 M786 C812	F766-L782 HydrophobicContact CE2-CB 3.85Å; F766-L782 HydrophobicContact CZ-CB 4.34Å; F766-L782 HydrophobicContact CZ-CD1 4.19Å; K778-L782 VanDerWaalsContact O-CB 3.25Å; K778-L782 WeakPolarHBondContact O-CB 3.42Å; K778-L782 PolarHBondContact O-N 3.3Å; A779-L782 PolarHBondContact O-N 3.4Å; H780-L782 VanDerWaalsContact C-N 3.34Å; L782-F784 VanDerWaalsContact C-N 3.34Å; L782-I785 PolarHBondContact O-N 3.28Å; L782-M786 HydrophobicContact CD1-CG 4.15Å; L782-M786 HydrophobicContact CD1-SD 4.01Å; L782-M786 HydrophobicContact CG-SD 4.23Å; L782-M786 VanDerWaalsContact O-CG 3.31Å; L782-M786 WeakPolarHBondContact O-CG 3.42Å; L782-M786 PolarHBondContact O-N 3.2Å; L782-C812 HydrophobicContact CD1-CB 4.08Å
783	E	92.5	Very high	93.5	Very high	130 Å²	130	62.8 Å²	62.8	61%	0.607	33%	0.326	S	S	*	.	H	α-helix	trans	-59.9	-45.1	172.6	-174.7	178.1	-166.8	0	0	111.3	A779 H780 I785 M786 L787	A779-E783 PolarHBondContact O-N 2.87Å; H780-E783 PolarHBondContact O-N 3.24Å; E783-I785 PolarHBondContact O-N 2.91Å; E783-M786 PolarHBondContact O-N 3.49Å; E783-L787 WeakPolarHBondContact O-CB 3.26Å; E783-L787 PolarHBondContact O-N 2.84Å
784	F	95.3	Very high	93.6	Very high	45 Å²	45	64.7 Å²	64.7	20%	0.197	33%	0.332	C	S	.	.	H	α-helix	trans	-60.6	-43.4	176.9	-175	-83.6	0	0	0	112.6	L757 S758 A762 H780 T781 L782 L787 H788	L757-F784 HydrophobicContact CB-CD2 4.29Å; L757-F784 HydrophobicContact CB-CE2 4.43Å; L757-F784 HydrophobicContact CB-CG 4.47Å; L757-F784 HydrophobicContact CD1-CB 4.31Å; S758-F784 VanDerWaalsContact C-CE1 3.46Å; S758-F784 WeakPolarHBondContact O-CE1 3.48Å; A762-F784 HydrophobicContact CB-CD1 3.94Å; A762-F784 HydrophobicContact CB-CE1 4.14Å; H780-F784 WeakPolarHBondContact O-CB 3.26Å; H780-F784 PolarHBondContact O-N 2.92Å; T781-F784 PolarHBondContact O-N 3.25Å; L782-F784 VanDerWaalsContact C-N 3.34Å; F784-L787 PolarHBondContact O-N 3.05Å; F784-H788 AromaticContact CD1-ND1 3.83Å; F784-H788 AromaticContact CD2-CE1 3.77Å; F784-H788 AromaticContact CD2-ND1 3.74Å; F784-H788 AromaticContact CE1-ND1 3.64Å; F784-H788 AromaticContact CE2-CE1 3.43Å; F784-H788 VanDerWaalsContact CE2-CE1 3.43Å; F784-H788 WeakPolarHBondContact CE2-CE1 3.4Å; F784-H788 AromaticContact CE2-ND1 3.57Å; F784-H788 AromaticContact CG-ND1 3.86Å; F784-H788 AromaticContact CZ-CE1 3.71Å; F784-H788 AromaticContact CZ-ND1 3.51Å; F784-H788 PolarHBondContact O-N 3.41Å; F784-H788 PolarHBondContact O-ND1 3.25Å
785	I	94.5	Very high	93.6	Very high	16 Å²	16	65.1 Å²	65.1	8%	0.082	34%	0.335	C	S	.	.	H	α-helix	trans	-62.5	-41.7	175.1	-72.8	169.5	0	0	0	110.7	A762 F766 T781 L782 E783 H788 A789 V792	A762-I785 HydrophobicContact CB-CD1 4.3Å; A762-I785 HydrophobicContact CB-CG1 3.75Å; F766-I785 HydrophobicContact CB-CD1 3.82Å; F766-I785 HydrophobicContact CD1-CD1 3.96Å; F766-I785 HydrophobicContact CG-CD1 3.91Å; T781-I785 HydrophobicContact CG2-CD1 4.08Å; T781-I785 HydrophobicContact CG2-CG1 4.47Å; T781-I785 WeakPolarHBondContact O-CB 3.34Å; T781-I785 VanDerWaalsContact O-CG1 3.27Å; T781-I785 WeakPolarHBondContact O-CG1 3.49Å; T781-I785 PolarHBondContact O-N 3.42Å; L782-I785 PolarHBondContact O-N 3.28Å; E783-I785 PolarHBondContact O-N 2.91Å; I785-H788 CarbonylContact O-C 3.59Å; I785-A789 WeakPolarHBondContact O-CA 3.47Å; I785-A789 WeakPolarHBondContact O-CB 3.44Å; I785-A789 PolarHBondContact O-N 2.96Å; I785-V792 HydrophobicContact CG1-CG1 4.44Å; I785-V792 HydrophobicContact CG2-CG1 4.32Å
786	M	90.7	Very high	93.6	Very high	41 Å²	41	64 Å²	64	20%	0.202	33%	0.329	C	S	.	.	H	α-helix	trans	-69.1	-36.6	178.9	-71.9	177.7	66	0	0	112.4	L782 E783 S815 L816 Q819	L782-M786 HydrophobicContact CD1-CG 4.15Å; L782-M786 HydrophobicContact CD1-SD 4.01Å; L782-M786 HydrophobicContact CG-SD 4.23Å; L782-M786 VanDerWaalsContact O-CG 3.31Å; L782-M786 WeakPolarHBondContact O-CG 3.42Å; L782-M786 PolarHBondContact O-N 3.2Å; E783-M786 PolarHBondContact O-N 3.49Å; M786-S815 PolarHBondContact SD-OG 2.78Å; M786-L816 HydrophobicContact CE-CB 3.93Å; M786-L816 HydrophobicContact CE-CD1 3.96Å; M786-Q819 VanDerWaalsContact CE-CD 3.44Å; M786-Q819 HydrophobicContact CE-CG 4.44Å; M786-Q819 VanDerWaalsContact CE-OE1 3.28Å
787	L	92	Very high	93.6	Very high	133 Å²	133	59.2 Å²	59.2	70%	0.696	31%	0.309	S	S	*	.	H	α-helix	trans	-68.2	-38.8	177.1	-177.8	59.7	0	0	0	112.6	E783 F784	E783-L787 WeakPolarHBondContact O-CB 3.26Å; E783-L787 PolarHBondContact O-N 2.84Å; F784-L787 PolarHBondContact O-N 3.05Å
788	H	92.9	Very high	93.5	Very high	56 Å²	56	62.1 Å²	62.1	26%	0.259	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	24.8	-179	-54.4	96	0	0	0	112.9	V759 F784 I785 H790 D791 V792	V759-H788 HydrophobicContact CG2-CB 4.24Å; F784-H788 AromaticContact CD1-ND1 3.83Å; F784-H788 AromaticContact CD2-CE1 3.77Å; F784-H788 AromaticContact CD2-ND1 3.74Å; F784-H788 AromaticContact CE1-ND1 3.64Å; F784-H788 AromaticContact CE2-CE1 3.43Å; F784-H788 VanDerWaalsContact CE2-CE1 3.43Å; F784-H788 WeakPolarHBondContact CE2-CE1 3.4Å; F784-H788 AromaticContact CE2-ND1 3.57Å; F784-H788 AromaticContact CG-ND1 3.86Å; F784-H788 AromaticContact CZ-CE1 3.71Å; F784-H788 AromaticContact CZ-ND1 3.51Å; F784-H788 PolarHBondContact O-N 3.41Å; F784-H788 PolarHBondContact O-ND1 3.25Å; I785-H788 CarbonylContact O-C 3.59Å; H788-H790 PolarHBondContact O-N 2.9Å; H788-D791 PolarHBondContact O-N 3.1Å; H788-V792 HydrophobicContact CB-CG2 4.09Å; H788-V792 WeakPolarHBondContact O-CG2 3.44Å; H788-V792 PolarHBondContact O-N 2.92Å
789	A	92.4	Very high	93.4	Very high	44 Å²	44	67.4 Å²	67.4	36%	0.364	35%	0.345	S	S	.	.	H	α-helix	trans	-58	-28.3	-167.4	0	0	0	0	0	114.6	I785 C793	I785-A789 WeakPolarHBondContact O-CA 3.47Å; I785-A789 WeakPolarHBondContact O-CB 3.44Å; I785-A789 PolarHBondContact O-N 2.96Å; A789-C793 WeakPolarHBondContact O-CB 3.39Å; A789-C793 PolarHBondContact O-N 2.85Å; A789-C793 PolarHBondContact O-SG 3.43Å
790	H	91.5	Very high	93.3	Very high	132 Å²	132	67.9 Å²	67.9	61%	0.611	34%	0.338	S	S	*	.	H	α-helix	trans	-60.8	-57.5	172.6	178.8	-82.6	0	0	0	111	H788 C793 E794	H788-H790 PolarHBondContact O-N 2.9Å; H790-C793 PolarHBondContact O-N 2.73Å; H790-E794 IonicContact CE1-OE1 2.64Å
791	D	95.4	Very high	93.2	Very high	75 Å²	75	63.9 Å²	63.9	40%	0.401	32%	0.32	S	S	.	.	H	α-helix	trans	-74.9	-36.1	-170.7	-47.4	-38.1	0	0	0	110.8	V759 H788 C793 E794	V759-D791 HydrophobicContact CG1-CB 3.81Å; V759-D791 HydrophobicContact CG2-CB 4.36Å; H788-D791 PolarHBondContact O-N 3.1Å; D791-C793 VanDerWaalsContact C-N 3.28Å; D791-C793 PolarHBondContact O-N 2.94Å; D791-E794 PolarHBondContact O-N 3.26Å; D791-E794 VanDerWaalsContact O-N 3.08Å
792	V	94.1	Very high	93	Very high	2 Å²	2	67 Å²	67	1%	0.012	34%	0.339	C	S	.	.	H	α-helix	trans	-61.4	-36.4	174.3	174.9	0	0	0	0	111.4	V759 A762 C763 I785 H788 E794 T795 Y798	V759-V792 HydrophobicContact CG1-CG2 3.99Å; A762-V792 HydrophobicContact CB-CG2 4.47Å; C763-V792 VanDerWaalsContact SG-CG1 3.57Å; I785-V792 HydrophobicContact CG1-CG1 4.44Å; I785-V792 HydrophobicContact CG2-CG1 4.32Å; H788-V792 HydrophobicContact CB-CG2 4.09Å; H788-V792 WeakPolarHBondContact O-CG2 3.44Å; H788-V792 PolarHBondContact O-N 2.92Å; V792-E794 PolarHBondContact O-N 3.45Å; V792-T795 WeakPolarHBondContact O-CB 3.24Å; V792-T795 PolarHBondContact O-N 2.83Å; V792-T795 VanDerWaalsContact O-N 3.12Å; V792-T795 PolarHBondContact O-OG1 2.96Å; V792-Y798 WeakPolarHBondContact O-CB 3.48Å
793	C	93	Very high	92.9	Very high	65 Å²	65	75.8 Å²	75.8	44%	0.439	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-13	176.6	-73.8	0	0	0	0	114.2	A789 H790 D791 Y798	A789-C793 WeakPolarHBondContact O-CB 3.39Å; A789-C793 PolarHBondContact O-N 2.85Å; A789-C793 PolarHBondContact O-SG 3.43Å; H790-C793 PolarHBondContact O-N 2.73Å; D791-C793 VanDerWaalsContact C-N 3.28Å; D791-C793 PolarHBondContact O-N 2.94Å; C793-Y798 HydrophobicContact CB-CD1 4.37Å; C793-Y798 HydrophobicContact CB-CE1 4.35Å
794	E	94	Very high	92.8	Very high	154 Å²	154	74.9 Å²	74.9	72%	0.72	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-2.3	174.6	-59.7	-169.1	166.2	0	0	112.8	H790 D791 V792	H790-E794 IonicContact CE1-OE1 2.64Å; D791-E794 PolarHBondContact O-N 3.26Å; D791-E794 VanDerWaalsContact O-N 3.08Å; V792-E794 PolarHBondContact O-N 3.45Å
795	T	95.2	Very high	92.5	Very high	9 Å²	9	75.6 Å²	75.6	6%	0.055	37%	0.367	C	S	.	.	S	Bend	trans	-85.9	151.3	-178.3	67.3	0	0	0	0	114	V759 V792 G797 Y798 E799	V759-T795 HydrophobicContact CG1-CG2 3.8Å; V792-T795 WeakPolarHBondContact O-CB 3.24Å; V792-T795 PolarHBondContact O-N 2.83Å; V792-T795 VanDerWaalsContact O-N 3.12Å; V792-T795 PolarHBondContact O-OG1 2.96Å; T795-G797 VanDerWaalsContact C-N 3.28Å; T795-G797 PolarHBondContact O-N 2.83Å; T795-Y798 PolarHBondContact O-N 2.62Å; T795-Y798 PolarHBondContact OG1-N 3.42Å; T795-E799 PolarHBondContact O-N 2.91Å
796	E	93.5	Very high	92.3	Very high	136 Å²	136	78.1 Å²	78.1	64%	0.636	39%	0.385	S	S	*	.	H	α-helix	trans	-62.9	-36.2	171.2	-163.1	-169.5	137.2	0	0	111.6	Y798 E799 Q800	E796-Y798 PolarHBondContact O-N 3.29Å; E796-E799 PolarHBondContact O-N 3.34Å; E796-Q800 WeakPolarHBondContact O-CG 3.33Å; E796-Q800 PolarHBondContact O-N 2.98Å; E796-Q800 PolarHBondContact OE1-NE2 2.71Å
797	G	92.1	Very high	92.4	Very high	8 Å²	8	86.7 Å²	86.7	8%	0.082	42%	0.415	C	S	.	.	H	α-helix	trans	-57.5	-34.9	176.2	0	0	0	0	0	112.9	C763 T795 Q800 L801	C763-G797 VanDerWaalsContact CB-C 3.46Å; C763-G797 WeakPolarHBondContact CB-O 3.28Å; T795-G797 VanDerWaalsContact C-N 3.28Å; T795-G797 PolarHBondContact O-N 2.83Å; G797-Q800 PolarHBondContact O-N 3.35Å; G797-L801 WeakPolarHBondContact O-CB 3.34Å; G797-L801 PolarHBondContact O-N 3.38Å
798	Y	93.4	Very high	92.3	Very high	62 Å²	62	80.4 Å²	80.4	24%	0.243	38%	0.382	C	S	.	.	H	α-helix	trans	-69.5	-42.1	173	-179.7	-101.2	0	0	0	112.5	V792 C793 T795 E796 Q800 L801 V802 L809	V792-Y798 WeakPolarHBondContact O-CB 3.48Å; C793-Y798 HydrophobicContact CB-CD1 4.37Å; C793-Y798 HydrophobicContact CB-CE1 4.35Å; T795-Y798 PolarHBondContact O-N 2.62Å; T795-Y798 PolarHBondContact OG1-N 3.42Å; E796-Y798 PolarHBondContact O-N 3.29Å; Y798-Q800 VanDerWaalsContact C-N 3.3Å; Y798-Q800 PolarHBondContact O-N 3.37Å; Y798-L801 WeakPolarHBondContact O-CB 3.37Å; Y798-L801 PolarHBondContact O-N 2.99Å; Y798-V802 HydrophobicContact CD1-CG2 4.11Å; Y798-V802 HydrophobicContact CE1-CG2 3.71Å; Y798-V802 HydrophobicContact CE2-CG2 4.3Å; Y798-V802 VanDerWaalsContact O-CG2 3.26Å; Y798-V802 WeakPolarHBondContact O-CG2 3.47Å; Y798-V802 PolarHBondContact O-N 2.84Å; Y798-L809 HydrophobicContact CD2-CD2 4.34Å; Y798-L809 HydrophobicContact CE2-CD2 3.64Å
799	E	92.4	Very high	92.2	Very high	140 Å²	140	78.8 Å²	78.8	65%	0.654	38%	0.375	S	S	*	.	H	α-helix	trans	-60.2	-40.7	173.3	-64.6	-158.8	157.7	0	0	111.9	T795 E796 V802 R803	T795-E799 PolarHBondContact O-N 2.91Å; E796-E799 PolarHBondContact O-N 3.34Å; E799-V802 PolarHBondContact O-N 3Å; E799-R803 VanDerWaalsContact O-CB 3.28Å; E799-R803 WeakPolarHBondContact O-CB 3.37Å; E799-R803 PolarHBondContact O-N 3.47Å
800	Q	91.2	Very high	91.9	Very high	68 Å²	68	80.9 Å²	80.9	32%	0.318	38%	0.381	S	S	.	.	H	α-helix	trans	-64.9	-41.4	174.8	-65.3	-172.7	30.3	0	0	111.7	E796 G797 Y798 R803 H804	E796-Q800 WeakPolarHBondContact O-CG 3.33Å; E796-Q800 PolarHBondContact O-N 2.98Å; E796-Q800 PolarHBondContact OE1-NE2 2.71Å; G797-Q800 PolarHBondContact O-N 3.35Å; Y798-Q800 VanDerWaalsContact C-N 3.3Å; Y798-Q800 PolarHBondContact O-N 3.37Å; Q800-R803 PolarHBondContact O-N 2.89Å; Q800-H804 WeakPolarHBondContact O-CB 3.16Å; Q800-H804 PolarHBondContact O-CD2 2.87Å; Q800-H804 PolarHBondContact O-N 2.78Å
801	L	90.8	Very high	91.7	Very high	8 Å²	8	77.7 Å²	77.7	4%	0.042	37%	0.366	C	S	.	.	H	α-helix	trans	-62	-44.8	175.8	-169.5	72.7	0	0	0	111.9	C763 F766 G797 Y798 R805 L808 L809	C763-L801 HydrophobicContact CB-CB 4.31Å; C763-L801 HydrophobicContact CB-CD2 4.26Å; F766-L801 HydrophobicContact CD1-CD2 4.29Å; G797-L801 WeakPolarHBondContact O-CB 3.34Å; G797-L801 PolarHBondContact O-N 3.38Å; Y798-L801 WeakPolarHBondContact O-CB 3.37Å; Y798-L801 PolarHBondContact O-N 2.99Å; L801-R805 HydrophobicContact CD1-CB 4.15Å; L801-R805 CarbonylContact O-C 3.5Å; L801-R805 WeakPolarHBondContact O-CA 3.14Å; L801-R805 PolarHBondContact O-N 3.29Å; L801-L808 HydrophobicContact CD1-CB 4.08Å; L801-L808 HydrophobicContact CD1-CD1 3.79Å; L801-L809 HydrophobicContact CD2-CD2 3.73Å; L801-L809 HydrophobicContact CD2-CG 4.47Å; L801-L809 HydrophobicContact CG-CD2 4.23Å; L801-L809 HydrophobicContact CG-CG 4.5Å
802	V	91.9	Very high	91.3	Very high	66 Å²	66	75 Å²	75	40%	0.4	35%	0.353	S	S	.	.	H	α-helix	trans	-57.3	-48.1	173.1	173	0	0	0	0	111	Y798 E799 L809	Y798-V802 HydrophobicContact CD1-CG2 4.11Å; Y798-V802 HydrophobicContact CE1-CG2 3.71Å; Y798-V802 HydrophobicContact CE2-CG2 4.3Å; Y798-V802 VanDerWaalsContact O-CG2 3.26Å; Y798-V802 WeakPolarHBondContact O-CG2 3.47Å; Y798-V802 PolarHBondContact O-N 2.84Å; E799-V802 PolarHBondContact O-N 3Å; V802-L809 HydrophobicContact CB-CD1 4.06Å; V802-L809 HydrophobicContact CG2-CD1 3.56Å
803	R	91.8	Very high	90.9	Very high	201 Å²	201	81.2 Å²	81.2	76%	0.758	38%	0.38	S	S	*	.	H	α-helix	trans	-73.9	-40.2	-172.4	-177.2	175.9	179.9	171.2	-2	113.6	E799 Q800	E799-R803 VanDerWaalsContact O-CB 3.28Å; E799-R803 WeakPolarHBondContact O-CB 3.37Å; E799-R803 PolarHBondContact O-N 3.47Å; Q800-R803 PolarHBondContact O-N 2.89Å
804	H	90.7	Very high	90.5	Very high	112 Å²	112	85.9 Å²	85.9	52%	0.519	39%	0.388	S	S	.	.	H	α-helix	trans	-108.3	-26	-169.5	-64.9	-85.5	0	0	0	114	Q800	Q800-H804 WeakPolarHBondContact O-CB 3.16Å; Q800-H804 PolarHBondContact O-CD2 2.87Å; Q800-H804 PolarHBondContact O-N 2.78Å
805	R	89.3	Confident	90	Very high	59 Å²	59	79.7 Å²	79.7	22%	0.223	36%	0.362	C	S	.	.			trans	-135.9	52	-174.1	-55.4	-173.8	-175.6	-150.6	8.4	113.8	G767 M771 L801 R807 L808	G767-R805 PolarHBondContact O-NH1 3.42Å; M771-R805 PolarHBondContact SD-NH2 2.8Å; M771-R805 VanDerWaalsContact SD-NH2 3.43Å; L801-R805 HydrophobicContact CD1-CB 4.15Å; L801-R805 CarbonylContact O-C 3.5Å; L801-R805 WeakPolarHBondContact O-CA 3.14Å; L801-R805 PolarHBondContact O-N 3.29Å; R805-R807 PolarHBondContact O-N 3.36Å; R805-L808 HydrophobicContact CB-CD1 4.06Å; R805-L808 WeakPolarHBondContact O-CB 3.41Å; R805-L808 PolarHBondContact O-N 2.81Å
806	P	90.9	Very high	89.2	Confident	70 Å²	70	83.9 Å²	83.9	46%	0.455	38%	0.383	S	S	.	.	H	α-helix	trans	-62.2	-10.9	-177.1	26.8	-36.7	0	0	0	115.1	L808 N810	P806-L808 VanDerWaalsContact C-N 3.32Å; P806-N810 PolarHBondContact O-N 3.03Å; P806-N810 PolarHBondContact O-ND2 3.18Å
807	R	91.9	Very high	88.6	Confident	220 Å²	220	81.6 Å²	81.6	83%	0.83	39%	0.388	S	S	*	.	H	α-helix	trans	-63.2	-37.9	168.9	-71.2	-174.8	177	-177.4	-0.6	112.1	R805 N810 E811	R805-R807 PolarHBondContact O-N 3.36Å; R807-N810 WeakPolarHBondContact O-CB 3.45Å; R807-N810 PolarHBondContact O-N 2.87Å; R807-E811 PolarHBondContact O-N 3.41Å
808	L	90.9	Very high	87.8	Confident	1 Å²	1	85.4 Å²	85.4	1%	0.005	41%	0.413	C	S	.	.	H	α-helix	trans	-68.8	-36.3	-179.9	-75.9	174.7	0	0	0	112.4	F766 D770 L801 R805 P806 N810 E811 C812	F766-L808 HydrophobicContact CD1-CB 4.24Å; F766-L808 HydrophobicContact CD1-CD1 4.3Å; F766-L808 HydrophobicContact CD1-CD2 4.36Å; F766-L808 HydrophobicContact CE1-CB 3.76Å; F766-L808 HydrophobicContact CE1-CD1 4.49Å; F766-L808 HydrophobicContact CE1-CD2 3.86Å; F766-L808 HydrophobicContact CE1-CG 4.25Å; F766-L808 HydrophobicContact CZ-CD2 3.94Å; D770-L808 HydrophobicContact CB-CD1 4.06Å; D770-L808 HydrophobicContact CB-CD2 3.81Å; D770-L808 HydrophobicContact CB-CG 4.46Å; L801-L808 HydrophobicContact CD1-CB 4.08Å; L801-L808 HydrophobicContact CD1-CD1 3.79Å; R805-L808 HydrophobicContact CB-CD1 4.06Å; R805-L808 WeakPolarHBondContact O-CB 3.41Å; R805-L808 PolarHBondContact O-N 2.81Å; P806-L808 VanDerWaalsContact C-N 3.32Å; L808-N810 VanDerWaalsContact C-N 3.31Å; L808-N810 PolarHBondContact O-N 2.86Å; L808-E811 WeakPolarHBondContact O-CA 3.28Å; L808-E811 WeakPolarHBondContact O-CB 3.43Å; L808-E811 PolarHBondContact O-N 2.7Å; L808-C812 PolarHBondContact O-N 2.64Å; L808-C812 PolarHBondContact O-SG 2.84Å; L808-C812 VanDerWaalsContact O-SG 3.36Å
809	L	89.5	Confident	86.3	Confident	22 Å²	22	86.2 Å²	86.2	12%	0.115	42%	0.419	C	S	.	.	H	α-helix	trans	-62.6	-37.7	172.7	-64.1	179.4	0	0	0	112.5	Y798 L801 V802 E811 C812 F813	Y798-L809 HydrophobicContact CD2-CD2 4.34Å; Y798-L809 HydrophobicContact CE2-CD2 3.64Å; L801-L809 HydrophobicContact CD2-CD2 3.73Å; L801-L809 HydrophobicContact CD2-CG 4.47Å; L801-L809 HydrophobicContact CG-CD2 4.23Å; L801-L809 HydrophobicContact CG-CG 4.5Å; V802-L809 HydrophobicContact CB-CD1 4.06Å; V802-L809 HydrophobicContact CG2-CD1 3.56Å; L809-E811 PolarHBondContact O-N 3.49Å; L809-C812 WeakPolarHBondContact O-CB 3.3Å; L809-C812 PolarHBondContact O-N 3.46Å; L809-F813 WeakPolarHBondContact O-CD2 3.17Å; L809-F813 PolarHBondContact O-N 3.41Å
810	N	87.4	Confident	84.2	Confident	89 Å²	89	88.6 Å²	88.6	48%	0.476	43%	0.43	S	S	.	.	H	α-helix	trans	-65.1	-25.2	173.1	-72.9	-71.7	0	0	0	112.2	P806 R807 L808 R814	P806-N810 PolarHBondContact O-N 3.03Å; P806-N810 PolarHBondContact O-ND2 3.18Å; R807-N810 WeakPolarHBondContact O-CB 3.45Å; R807-N810 PolarHBondContact O-N 2.87Å; L808-N810 VanDerWaalsContact C-N 3.31Å; L808-N810 PolarHBondContact O-N 2.86Å; N810-R814 WeakPolarHBondContact O-CB 3.36Å; N810-R814 VanDerWaalsContact O-CG 3.28Å; N810-R814 WeakPolarHBondContact O-CG 3.39Å; N810-R814 PolarHBondContact O-N 3.16Å
811	E	86.6	Confident	82	Confident	64 Å²	64	90.3 Å²	90.3	30%	0.299	44%	0.441	S	S	.	.	H	α-helix	trans	-74.4	-42.9	172.4	-155.4	170.6	152.6	0	0	111.3	K778 R807 L808 L809 F813 R814 S815	K778-E811 WeakPolarHBondContact CE-OE1 3.2Å; K778-E811 WeakPolarHBondContact CE-OE2 3.48Å; K778-E811 IonicContact NZ-OE1 2.68Å; K778-E811 PolarHBondContact NZ-OE1 3.22Å; K778-E811 IonicContact NZ-OE2 3.44Å; K778-E811 PolarHBondContact NZ-OE2 3.04Å; R807-E811 PolarHBondContact O-N 3.41Å; L808-E811 WeakPolarHBondContact O-CA 3.28Å; L808-E811 WeakPolarHBondContact O-CB 3.43Å; L808-E811 PolarHBondContact O-N 2.7Å; L809-E811 PolarHBondContact O-N 3.49Å; E811-F813 VanDerWaalsContact C-N 3.34Å; E811-F813 PolarHBondContact O-N 3.47Å; E811-R814 PolarHBondContact O-N 2.68Å; E811-R814 VanDerWaalsContact O-N 3.15Å; E811-S815 PolarHBondContact O-N 3.15Å
812	C	86.6	Confident	79.5	Confident	19 Å²	19	94.7 Å²	94.7	13%	0.128	47%	0.47	C	S	.	.	H	α-helix	trans	-56.1	-46.5	170.4	-55.5	0	0	0	0	112.1	F766 L782 L808 L809 R814 S815 L816	F766-C812 VanDerWaalsContact CE1-SG 3.57Å; L782-C812 HydrophobicContact CD1-CB 4.08Å; L808-C812 PolarHBondContact O-N 2.64Å; L808-C812 PolarHBondContact O-SG 2.84Å; L808-C812 VanDerWaalsContact O-SG 3.36Å; L809-C812 WeakPolarHBondContact O-CB 3.3Å; L809-C812 PolarHBondContact O-N 3.46Å; C812-R814 PolarHBondContact O-N 2.84Å; C812-S815 PolarHBondContact O-N 3.29Å; C812-L816 WeakPolarHBondContact O-CB 3.35Å; C812-L816 PolarHBondContact O-N 3.29Å
813	F	85.3	Confident	76.9	Confident	132 Å²	132	99.8 Å²	99.8	58%	0.579	49%	0.494	S	S	*	.	H	α-helix	trans	-65.8	-34.1	176.4	-74	-60.7	0	0	0	113.2	L809 E811 A817	L809-F813 WeakPolarHBondContact O-CD2 3.17Å; L809-F813 PolarHBondContact O-N 3.41Å; E811-F813 VanDerWaalsContact C-N 3.34Å; E811-F813 PolarHBondContact O-N 3.47Å; F813-A817 WeakPolarHBondContact O-CB 3.28Å; F813-A817 PolarHBondContact O-N 3.24Å; F813-A817 VanDerWaalsContact O-N 3.08Å
814	R	85.4	Confident	74.4	Confident	164 Å²	164	100.7 Å²	100.7	62%	0.619	50%	0.498	S	S	*	.	H	α-helix	trans	-68.2	-42.7	173.3	-78.7	-178.7	-162.1	113.6	-4.8	112.2	N810 E811 C812 A817 S818	N810-R814 WeakPolarHBondContact O-CB 3.36Å; N810-R814 VanDerWaalsContact O-CG 3.28Å; N810-R814 WeakPolarHBondContact O-CG 3.39Å; N810-R814 PolarHBondContact O-N 3.16Å; E811-R814 PolarHBondContact O-N 2.68Å; E811-R814 VanDerWaalsContact O-N 3.15Å; C812-R814 PolarHBondContact O-N 2.84Å; R814-A817 CarbonylContact O-C 3.54Å; R814-A817 PolarHBondContact O-N 3.45Å; R814-A817 VanDerWaalsContact O-N 3.13Å; R814-S818 PolarHBondContact O-N 3.16Å; R814-S818 PolarHBondContact O-OG 3.45Å
815	S	83.1	Confident	71.8	Confident	24 Å²	24	99.8 Å²	99.8	17%	0.168	50%	0.503	C	S	.	.	H	α-helix	trans	-60.5	-46.4	175.6	-175.2	0	0	0	0	111.3	M786 E811 C812 A817 S818 Q819	M786-S815 PolarHBondContact SD-OG 2.78Å; E811-S815 PolarHBondContact O-N 3.15Å; C812-S815 PolarHBondContact O-N 3.29Å; S815-A817 PolarHBondContact O-N 3.14Å; S815-S818 PolarHBondContact O-N 2.7Å; S815-S818 PolarHBondContact O-OG 2.72Å; S815-Q819 WeakPolarHBondContact O-CG 3.33Å; S815-Q819 PolarHBondContact O-N 3.13Å
816	L	79.5	Confident	69.2	Low	96 Å²	96	110.2 Å²	110.2	50%	0.503	54%	0.542	S	S	.	.	H	α-helix	trans	-60.8	-30	174.4	-176.4	62.8	0	0	0	113.2	M786 C812	M786-L816 HydrophobicContact CE-CB 3.93Å; M786-L816 HydrophobicContact CE-CD1 3.96Å; C812-L816 WeakPolarHBondContact O-CB 3.35Å; C812-L816 PolarHBondContact O-N 3.29Å
817	A	79.1	Confident	66.7	Low	88 Å²	88	109.7 Å²	109.7	73%	0.727	54%	0.543	S	S	*	.	H	α-helix	trans	-83.5	-26.5	176.6	0	0	0	0	0	113.9	F813 R814 S815	F813-A817 WeakPolarHBondContact O-CB 3.28Å; F813-A817 PolarHBondContact O-N 3.24Å; F813-A817 VanDerWaalsContact O-N 3.08Å; R814-A817 CarbonylContact O-C 3.54Å; R814-A817 PolarHBondContact O-N 3.45Å; R814-A817 VanDerWaalsContact O-N 3.13Å; S815-A817 PolarHBondContact O-N 3.14Å
818	S	76.1	Confident	64	Low	88 Å²	88	111 Å²	111	62%	0.615	55%	0.548	S	S	*	.	H	α-helix	trans	-83.5	-30.1	176	64.4	0	0	0	0	112.5	R814 S815 Q820	R814-S818 PolarHBondContact O-N 3.16Å; R814-S818 PolarHBondContact O-OG 3.45Å; S815-S818 PolarHBondContact O-N 2.7Å; S815-S818 PolarHBondContact O-OG 2.72Å; S818-Q820 PolarHBondContact O-N 3.06Å
819	Q	62.2	Low	61.6	Low	79 Å²	79	120.2 Å²	120.2	37%	0.369	59%	0.589	S	S	.	*			trans	-66	106	171	-72.7	-176.3	14.8	0	0	110.2	M786 S815 L821	M786-Q819 VanDerWaalsContact CE-CD 3.44Å; M786-Q819 HydrophobicContact CE-CG 4.44Å; M786-Q819 VanDerWaalsContact CE-OE1 3.28Å; S815-Q819 WeakPolarHBondContact O-CG 3.33Å; S815-Q819 PolarHBondContact O-N 3.13Å; Q819-L821 HydrophobicContact CB-CD1 4.34Å; Q819-L821 HydrophobicContact CB-CG 4.33Å; Q819-L821 PolarHBondContact O-N 3.37Å
820	Q	48.3	Very low	59.2	Low	191 Å²	191	129.9 Å²	129.9	89%	0.893	62%	0.623	S	S	*	*			trans	-71.2	53.1	164.4	-63.5	-168.2	23.3	0	0	111.3	S818 P822	S818-Q820 PolarHBondContact O-N 3.06Å; Q820-P822 VanDerWaalsContact O-CD 3.24Å; Q820-P822 WeakPolarHBondContact O-CD 3.44Å; Q820-P822 VanDerWaalsContact O-N 3.16Å
821	L	45	Very low	56.9	Low	103 Å²	103	131.7 Å²	131.7	54%	0.539	64%	0.64	S	S	.	*			trans	-54.4	118.1	167.2	-91.5	162.6	0	0	0	108	Q819 L823	Q819-L821 HydrophobicContact CB-CD1 4.34Å; Q819-L821 HydrophobicContact CB-CG 4.33Å; Q819-L821 PolarHBondContact O-N 3.37Å; L821-L823 PolarHBondContact O-N 3.14Å
822	P	38.2	Very low	54.8	Low	100 Å²	100	140.2 Å²	140.2	65%	0.649	67%	0.669	S	S	*	*			trans	-60.2	117.9	172.5	-20.6	32.9	0	0	0	107.3	Q820 R824	Q820-P822 VanDerWaalsContact O-CD 3.24Å; Q820-P822 WeakPolarHBondContact O-CD 3.44Å; Q820-P822 VanDerWaalsContact O-N 3.16Å; P822-R824 HydrophobicContact CB-CG 4.16Å; P822-R824 PolarHBondContact O-N 3.23Å
823	L	36.3	Very low	52.5	Low	173 Å²	173	148.8 Å²	148.8	91%	0.906	71%	0.708	S	S	*	*			trans	-70.5	57.1	173.9	-68.5	174.8	0	0	0	110.4	L821 C825	L821-L823 PolarHBondContact O-N 3.14Å; L823-C825 PolarHBondContact O-N 3.18Å
824	R	39.6	Very low	50.4	Low	221 Å²	221	151.6 Å²	151.6	83%	0.834	74%	0.744	S	S	*	*			trans	-75.3	70.5	174.3	-80.5	-169.1	171.1	-132.6	0.2	109.7	P822	P822-R824 HydrophobicContact CB-CG 4.16Å; P822-R824 PolarHBondContact O-N 3.23Å
825	C	36.7	Very low	48.6	Very low	92 Å²	92	151 Å²	151	62%	0.622	75%	0.75	S	S	*	*			trans	53.9	88.6	141.7	54.7	0	0	0	0	117	L823 A827	L823-C825 PolarHBondContact O-N 3.18Å; C825-A827 HydrophobicContact CB-CB 3.66Å; C825-A827 PolarHBondContact O-N 2.79Å
826	W	34.3	Very low	46.8	Very low	279 Å²	279	157.6 Å²	157.6	100%	1.057	78%	0.78	S	S	*	*			trans	-57.4	61.2	130.4	-76.6	3	0	0	0	111.4
827	A	38.8	Very low	45	Very low	58 Å²	58	161.1 Å²	161.1	48%	0.479	80%	0.796	S	S	.	*			trans	-117.6	84.8	172.9	0	0	0	0	0	108.7	C825 K829	C825-A827 HydrophobicContact CB-CB 3.66Å; C825-A827 PolarHBondContact O-N 2.79Å; A827-K829 PolarHBondContact O-N 3.07Å
828	R	35.2	Very low	43	Very low	248 Å²	248	165.4 Å²	165.4	94%	0.936	80%	0.8	S	S	*	*			trans	-61.8	79.5	161.2	-71.4	-176.2	-179.9	172	1.3	109	R830	R828-R830 PolarHBondContact O-N 3.11Å
829	K	39.6	Very low	40.9	Very low	195 Å²	195	170.2 Å²	170.2	85%	0.848	81%	0.811	S	S	*	*			trans	-63.3	101.9	166.9	-78.5	-173.3	176.2	179.5	0	106.9	A827	A827-K829 PolarHBondContact O-N 3.07Å
830	R	40.7	Very low	39.5	Very low	224 Å²	224	176.3 Å²	176.3	85%	0.845	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-54.9	141.1	173.8	-57.1	-176.6	-173.6	-159.1	2.5	108.6	R828 R832	R828-R830 PolarHBondContact O-N 3.11Å; R830-R832 PolarHBondContact O-N 3.26Å
831	P	38.6	Very low	38.9	Very low	127 Å²	127	175.2 Å²	175.2	83%	0.825	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-59.5	127	165.4	27.2	-33	0	0	0	108.3
832	R	43.3	Very low	38.4	Very low	243 Å²	243	180.8 Å²	180.8	92%	0.917	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-93.4	124.4	163.7	-103.7	-173.1	165.4	-169.8	-5.5	107.2	R830	R830-R832 PolarHBondContact O-N 3.26Å
833	Q	37.6	Very low	38.4	Very low	199 Å²	199	187.5 Å²	187.5	93%	0.93	88%	0.878	S	S	*	*	P	Polyproline II helix	trans	-73.1	144.5	168.4	-66.9	168	-54.7	0	0	109.5
834	S	40.2	Very low	38.6	Very low	191 Å²	191	188.8 Å²	188.8	100%	1.336	88%	0.875	S	S	*	*			trans	-148.6	0	162.7	57.9	0	0	0	0	106.9

Retrieved 834 of 834 residues in 140 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).