A0A093HUH7_STRCA Loading...

SLIT and NTRK-like 6

AlphaFold DB , UniProt , Accession A0A093HUH7, Species STRCA (Struthio camelus australis), Gene n/a, Length 840 aa.

						>A0A093HUH7_STRCA|A0A093HUH7
MKLLVFVLCSVLVASDHFQSQPSFSSTRGSCQSLCSCEEKDDTMIINCEEKGIKMISEINVPPSRPFHLNLLNNGLTMLCVNDFAGLANAISLHLGFNNIADIEPGAFNGLSLLKQLHINHNSLEILKEDTFNGLENLEFLQADNNFITVIEASAFSKLNRLKVLILNDNAIEYLPPNIFRFVPLTHLDLRGNQLQTLPYVGFLEHIGRILDLQLEDNKWACNCDLLQLKIWLENMPPQSIIGDVVCNSPPVIKGSILSRLKKESLCPTHPVNELEDPSGSLPLVVTTSISESHLSTKVIPILKAPTKEPSFVLHASKPTTPFPGIYCPVPCHCSSHTLSGVLMHCQERNIESLSDLGPPPPNPKKLILAGNIIQTLLKSDLVDYASLEMLHLGNNRIEILEEGSFMNLTRLQKLYLNGNHLTKLSQNLFLGLQHLEYLYLEYNAIKEVLPGTFNAMPKLKVLYLNNNLLQTLPPHIFSGVPLARLNLKTNQFAYLPVSNVLDELDMLVQIELEDNPWDCTCDSVGLQKWIQKLSKNTMMGDIFCKSPGHLAKKELKSLNSDVLCPGLINSPSLPTHASFVVVTTSSTTTTAADTILRSLTDAVPLSGLILGLLIVFITIVFCAAGIVVLVLHRRRRCKKKQADEQMRDSSPVHLQYSMYGHKTTHHTTERPAATLYEQRMVTPMVQVYRSPSFSPKHAEQQEEGNDKEDNDSKHLRRSLLERENSSPLTGSNVKYKATDQSAEFLSFQDASSLYRNILEKERELQQLGITEYLRKNIVQLQPDMEVHYPRRHEELQLMETLMYSRPRKVFLEQTKNEYFELKANLHAEPDYLEVLEQQT
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	36.2	Very low	232 Å²	232	161.6 Å²	161.6	100%	1.143	87%	0.874	S	S	*	*				0	124.7	0	-70.1	141.7	85.4	0	0	107.1
2	K	36.7	Very low	35.7	Very low	208 Å²	208	161 Å²	161	90%	0.904	87%	0.868	S	S	*	*				54	52.9	80.2	-77.8	-165.2	169.9	-175.7	0	113.9
3	L	38.6	Very low	35.3	Very low	168 Å²	168	160.4 Å²	160.4	88%	0.88	87%	0.873	S	S	*	*			trans	-152.5	25.8	162.2	-146.3	85.7	0	0	0	113.8
4	L	37.4	Very low	34.8	Very low	168 Å²	168	155.1 Å²	155.1	88%	0.88	86%	0.862	S	S	*	*	S	Bend	trans	-143.6	23.1	-163.8	-150.6	113.9	0	0	0	115.8
5	V	42.7	Very low	34.5	Very low	130 Å²	130	152.9 Å²	152.9	79%	0.788	86%	0.861	S	S	*	*	S	Bend	trans	-137.1	20	-168.6	-162.1	0	0	0	0	113.6
6	F	38.2	Very low	33.9	Very low	204 Å²	204	153.6 Å²	153.6	90%	0.895	86%	0.862	S	S	*	*	S	Bend	trans	-142	9.1	-170.9	-110	-80.9	0	0	0	118
7	V	37.8	Very low	33.4	Very low	142 Å²	142	153.6 Å²	153.6	86%	0.861	85%	0.853	S	S	*	*	S	Bend	trans	-139.8	35.1	-173.8	-155.8	0	0	0	0	113.2
8	L	34.8	Very low	32.9	Very low	158 Å²	158	154.1 Å²	154.1	83%	0.827	85%	0.845	S	S	*	*	S	Bend	trans	-142.2	17	-171.9	-113.5	171.6	0	0	0	117.5
9	C	32.9	Very low	32.7	Very low	129 Å²	129	154.3 Å²	154.3	87%	0.872	84%	0.839	S	S	*	*			trans	-133.6	63.5	174	-74.3	0	0	0	0	112.1
10	S	32	Very low	32.2	Very low	121 Å²	121	152.8 Å²	152.8	85%	0.846	84%	0.841	S	S	*	*			trans	-147.7	49.3	176.3	-51.9	0	0	0	0	111
11	V	31.9	Very low	31.9	Very low	118 Å²	118	154.4 Å²	154.4	72%	0.715	84%	0.842	S	S	*	*			trans	-151.2	119.6	-161.3	161.8	0	0	0	0	106.4
12	L	29.8	Very low	31.9	Very low	154 Å²	154	149 Å²	149	81%	0.806	83%	0.825	S	S	*	*			cis	-138.8	144.8	-5.1	-54.8	99.9	0	0	0	111
13	V	31.1	Very low	31.2	Very low	153 Å²	153	144.9 Å²	144.9	93%	0.927	82%	0.822	S	S	*	*			trans	-150.3	103	146.6	-178.1	0	0	0	0	109.1
14	A	27.8	Very low	30.8	Very low	87 Å²	87	147 Å²	147	72%	0.719	83%	0.825	S	S	*	*			trans	175.9	138.8	150	0	0	0	0	0	110.7
15	S	30.1	Very low	30.2	Very low	121 Å²	121	144.1 Å²	144.1	85%	0.846	82%	0.819	S	S	*	*			trans	29.1	130.4	150.1	-48	0	0	0	0	121.8
16	D	25.3	Very low	29.5	Very low	164 Å²	164	143.2 Å²	143.2	88%	0.877	82%	0.818	S	S	*	*				-146.6	166.1	120.6	-144.6	-18.2	0	0	0	111.7
17	H	25.7	Very low	29.3	Very low	154 Å²	154	140 Å²	140	71%	0.713	82%	0.815	S	S	*	*			trans	-158.7	122.1	-160	178.8	82.7	0	0	0	112.1
18	F	24.9	Very low	29.2	Very low	163 Å²	163	145.5 Å²	145.5	72%	0.715	82%	0.821	S	S	*	*			trans	-170.1	134.3	141.6	-123.4	-129.7	0	0	0	116.9
19	Q	27.8	Very low	29.3	Very low	157 Å²	157	140.7 Å²	140.7	73%	0.734	81%	0.809	S	S	*	*			trans	37.2	123	146.4	-65.6	-173.9	-11.2	0	0	123.6
20	S	23.2	Very low	30	Very low	125 Å²	125	137.8 Å²	137.8	87%	0.874	79%	0.79	S	S	*	*				-160.4	159.3	111.8	30.9	0	0	0	0	111.1
21	Q	25.4	Very low	31.2	Very low	186 Å²	186	134.3 Å²	134.3	87%	0.869	77%	0.766	S	S	*	*			trans	-106.3	177.4	178.7	-55.2	-177.9	-62.2	0	0	110.9
22	P	35.3	Very low	32.3	Very low	120 Å²	120	134.9 Å²	134.9	78%	0.779	76%	0.76	S	S	*	*				-124.7	113.7	-67.9	33.8	-18.3	0	0	0	110.2
23	S	22.9	Very low	33.6	Very low	121 Å²	121	133 Å²	133	85%	0.846	76%	0.76	S	S	*	*			trans	-94.1	133.5	178.2	41.7	0	0	0	0	112.1	S25	S23-S25 PolarHBondContact O-N 3.13Å; S23-S25 VanDerWaalsContact O-N 3.14Å
24	F	29.6	Very low	35.2	Very low	212 Å²	212	130 Å²	130	93%	0.93	74%	0.738	S	S	*	*			trans	-32.3	108.1	178.4	-86.8	-109.2	0	0	0	115	S26	F24-S26 PolarHBondContact O-N 3.03Å
25	S	25.3	Very low	37.7	Very low	108 Å²	108	126.9 Å²	126.9	76%	0.755	71%	0.711	S	S	*	*			trans	-74.9	105.4	160.3	55.7	0	0	0	0	109.3	S23	S23-S25 PolarHBondContact O-N 3.13Å; S23-S25 VanDerWaalsContact O-N 3.14Å
26	S	27.8	Very low	40.1	Very low	110 Å²	110	124.3 Å²	124.3	77%	0.769	69%	0.693	S	S	*	*			trans	-63.8	134.9	164.5	51.7	0	0	0	0	109.3	F24 R28	F24-S26 PolarHBondContact O-N 3.03Å; S26-R28 PolarHBondContact O-N 3.11Å
27	T	34.1	Very low	42.9	Very low	137 Å²	137	118.3 Å²	118.3	84%	0.84	66%	0.663	S	S	*	*			trans	-75.4	90.7	-168.6	45.8	0	0	0	0	111.9	G29	T27-G29 PolarHBondContact O-N 3.35Å; T27-G29 VanDerWaalsContact O-N 3.15Å
28	R	36	Very low	45.5	Very low	258 Å²	258	114.4 Å²	114.4	97%	0.974	65%	0.646	S	S	*	*			trans	-70.9	96.8	159.9	-81.3	-176.1	167.2	-175.6	-5.3	109.5	S26	S26-R28 PolarHBondContact O-N 3.11Å
29	G	36.3	Very low	48.1	Very low	57 Å²	57	112.3 Å²	112.3	59%	0.588	64%	0.638	S	S	*	*			trans	-167	148.1	171.2	0	0	0	0	0	110.4	T27	T27-G29 PolarHBondContact O-N 3.35Å; T27-G29 VanDerWaalsContact O-N 3.15Å
30	S	47.9	Very low	50.1	Low	67 Å²	67	110.9 Å²	110.9	47%	0.469	63%	0.63	S	S	.	*			cis	-148.2	135.1	-3.2	-71.7	0	0	0	0	110.5
31	C	56.3	Low	51.9	Low	49 Å²	49	109.7 Å²	109.7	33%	0.331	61%	0.613	S	S	.	*			trans	-138.9	98.6	162.6	-178.3	0	0	0	0	105.5	S33 C35 C37	C31-S33 PolarHBondContact O-N 3.37Å; C31-C35 PolarHBondContact SG-O 3.12Å; C31-C37 HydrophobicContact CB-CB 3.61Å; C31-C37 WeakPolarHBondContact CB-SG 3.42Å; C31-C37 WeakPolarHBondContact SG-CB 3.46Å; C31-C37 CovalentContact SG-SG 2.03Å; C31-C37 PolarHBondContact SG-SG 3.46Å
32	Q	55	Low	54.1	Low	129 Å²	129	106.8 Å²	106.8	60%	0.603	60%	0.604	S	S	*	*			trans	-95.1	82	-155.8	-143.8	167.3	-6.2	0	0	112.2	L34	Q32-L34 VanDerWaalsContact C-N 3.28Å; Q32-L34 PolarHBondContact O-N 3.44Å
33	S	57.4	Low	56	Low	116 Å²	116	102.5 Å²	102.5	81%	0.811	58%	0.576	S	S	*	*	S	Bend	trans	64.2	-17.3	162.9	52.2	0	0	0	0	120.7	C31	C31-S33 PolarHBondContact O-N 3.37Å
34	L	66.1	Low	58.8	Low	89 Å²	89	97.9 Å²	97.9	47%	0.466	54%	0.541	S	S	.	.	S	Bend	trans	-89.1	-46.4	177.8	-71	175.3	0	0	0	113.5	Q32 K51	Q32-L34 VanDerWaalsContact C-N 3.28Å; Q32-L34 PolarHBondContact O-N 3.44Å; L34-K51 VanDerWaalsContact O-CD 3.24Å; L34-K51 WeakPolarHBondContact O-CD 3.18Å; L34-K51 VanDerWaalsContact O-CE 3.29Å; L34-K51 WeakPolarHBondContact O-CE 3.43Å
35	C	79.3	Confident	61.3	Low	21 Å²	21	90.5 Å²	90.5	14%	0.142	51%	0.51	C	S	.	.	S	Bend	trans	-105.3	154.8	-179.8	-50.5	0	0	0	0	111.1	C31 I46 N47 C48	C31-C35 PolarHBondContact SG-O 3.12Å; C35-I46 HydrophobicContact CB-CG2 4Å; C35-N47 WeakPolarHBondContact CA-O 3.42Å; C35-N47 WeakPolarHBondContact CB-O 3.3Å; C35-C48 HydrophobicContact CB-CB 4.03Å; C35-C48 WeakPolarHBondContact CB-SG 3.5Å; C35-C48 WeakPolarHBondContact SG-CB 3.35Å; C35-C48 CovalentContact SG-SG 2.03Å; C35-C48 PolarHBondContact SG-SG 2.99Å
36	S	81.1	Confident	64.1	Low	67 Å²	67	85.5 Å²	85.5	47%	0.469	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.8	166.8	48.6	0	0	0	0	109.5	N47	S36-N47 PolarHBondContact N-O 3.47Å; S36-N47 PolarHBondContact O-N 2.89Å; S36-N47 PolarHBondContact OG-O 3.4Å
37	C	83.3	Confident	66.8	Low	38 Å²	38	81.8 Å²	81.8	26%	0.257	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.4	177.4	-56.6	0	0	0	0	111.5	C31 M44 I45	C31-C37 HydrophobicContact CB-CB 3.61Å; C31-C37 WeakPolarHBondContact CB-SG 3.42Å; C31-C37 WeakPolarHBondContact SG-CB 3.46Å; C31-C37 CovalentContact SG-SG 2.03Å; C31-C37 PolarHBondContact SG-SG 3.46Å; C37-M44 HydrophobicContact CB-CE 3.42Å; C37-M44 VanDerWaalsContact CB-CE 3.42Å; C37-I45 CarbonylContact C-O 3.29Å; C37-I45 VanDerWaalsContact CA-O 3.3Å; C37-I45 WeakPolarHBondContact CA-O 3.44Å
38	E	80	Confident	69.2	Low	73 Å²	73	75.2 Å²	75.2	34%	0.341	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	158	175.1	-58.7	-164.6	170	0	0	110.8	M44 I45 A824 N825	E38-M44 CarbonylContact O-C 2.95Å; E38-M44 WeakPolarHBondContact O-CA 3.43Å; E38-M44 WeakPolarHBondContact O-CG 3.2Å; E38-I45 PolarHBondContact N-O 3.13Å; E38-I45 PolarHBondContact O-N 3.09Å; E38-A824 WeakPolarHBondContact OE1-CB 3.5Å; E38-N825 PolarHBondContact OE2-ND2 3.15Å; E38-N825 PolarHBondContact OE2-OD1 3.05Å
39	E	79.2	Confident	71.5	Confident	119 Å²	119	64.9 Å²	64.9	56%	0.556	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.3	-179.9	-175.8	170.8	162.5	0	0	109.3	R65	E39-R65 IonicContact OE1-CZ 2.63Å; E39-R65 IonicContact OE1-NH1 2.71Å; E39-R65 PolarHBondContact OE1-NH1 3.45Å; E39-R65 IonicContact OE1-NH2 2.69Å; E39-R65 PolarHBondContact OE1-NH2 3.06Å; E39-R65 IonicContact OE2-CZ 3.6Å; E39-R65 IonicContact OE2-NH1 3.75Å; E39-R65 PolarHBondContact OE2-NH1 3.32Å; E39-R65 IonicContact OE2-NH2 2.66Å
40	K	71.4	Confident	73.7	Confident	127 Å²	127	68.6 Å²	68.6	55%	0.552	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.5	122.4	-173.9	-179.3	-167.9	171.5	-159.6	0	109	D42 T43 I45	K40-D42 VanDerWaalsContact C-N 3.32Å; K40-D42 PolarHBondContact O-N 3.48Å; K40-T43 PolarHBondContact N-O 3.4Å; K40-T43 CarbonylContact O-C 3.21Å; K40-T43 PolarHBondContact O-N 3.5Å; K40-T43 PolarHBondContact O-OG1 3.17Å; K40-I45 HydrophobicContact CB-CD1 4.28Å; K40-I45 HydrophobicContact CD-CD1 3.96Å
41	D	60.9	Low	75.4	Confident	99 Å²	99	70.3 Å²	70.3	53%	0.529	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	43.9	171.9	-68.4	-71.6	0	0	0	114.5	T43 K553	D41-T43 PolarHBondContact O-N 3.16Å; D41-T43 VanDerWaalsContact O-N 3.16Å; D41-K553 VanDerWaalsContact OD1-CE 3.25Å; D41-K553 WeakPolarHBondContact OD1-CE 3.34Å; D41-K553 IonicContact OD1-NZ 2.92Å; D41-K553 PolarHBondContact OD1-NZ 2.91Å
42	D	71.9	Confident	76.7	Confident	126 Å²	126	70.1 Å²	70.1	67%	0.674	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	0.7	-175	-71.2	-53.5	0	0	0	116.5	K40	K40-D42 VanDerWaalsContact C-N 3.32Å; K40-D42 PolarHBondContact O-N 3.48Å
43	T	73.4	Confident	78.2	Confident	30 Å²	30	64.2 Å²	64.2	18%	0.184	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	159.6	164.5	76.7	0	0	0	0	111.4	K40 D41 P66 I91	K40-T43 PolarHBondContact N-O 3.4Å; K40-T43 CarbonylContact O-C 3.21Å; K40-T43 PolarHBondContact O-N 3.5Å; K40-T43 PolarHBondContact O-OG1 3.17Å; D41-T43 PolarHBondContact O-N 3.16Å; D41-T43 VanDerWaalsContact O-N 3.16Å; T43-P66 HydrophobicContact CG2-CB 4.4Å; T43-P66 HydrophobicContact CG2-CG 4.12Å; T43-I91 HydrophobicContact CG2-CD1 4.2Å
44	M	82.4	Confident	79.7	Confident	24 Å²	24	65.7 Å²	65.7	12%	0.118	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131	179.4	-171.1	168.8	174	0	0	109.8	C37 E38 I46 P62 P66 F67 H68	C37-M44 HydrophobicContact CB-CE 3.42Å; C37-M44 VanDerWaalsContact CB-CE 3.42Å; E38-M44 CarbonylContact O-C 2.95Å; E38-M44 WeakPolarHBondContact O-CA 3.43Å; E38-M44 WeakPolarHBondContact O-CG 3.2Å; M44-I46 HydrophobicContact CG-CG1 4.18Å; M44-P62 HydrophobicContact CE-CG 3.74Å; M44-P62 HydrophobicContact SD-CG 3.46Å; M44-P62 WeakPolarHBondContact SD-CG 3.18Å; M44-P66 PolarHBondContact N-O 3.46Å; M44-F67 HydrophobicContact CB-CB 4.01Å; M44-F67 CarbonylContact O-C 3.54Å; M44-F67 WeakPolarHBondContact O-CA 3.47Å; M44-F67 WeakPolarHBondContact O-CB 3.27Å; M44-H68 PolarHBondContact O-N 2.94Å
45	I	81.5	Confident	80.6	Confident	57 Å²	57	66.6 Å²	66.6	29%	0.292	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.9	177.5	-60	175.3	0	0	0	107.4	C37 E38 K40	C37-I45 CarbonylContact C-O 3.29Å; C37-I45 VanDerWaalsContact CA-O 3.3Å; C37-I45 WeakPolarHBondContact CA-O 3.44Å; E38-I45 PolarHBondContact N-O 3.13Å; E38-I45 PolarHBondContact O-N 3.09Å; K40-I45 HydrophobicContact CB-CD1 4.28Å; K40-I45 HydrophobicContact CD-CD1 3.96Å
46	I	85.6	Confident	81	Confident	2 Å²	2	66 Å²	66	1%	0.01	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	105.7	-176.3	-54.1	-177.9	0	0	0	107.6	C35 M44 V61 F67 H68 L69 N70	C35-I46 HydrophobicContact CB-CG2 4Å; M44-I46 HydrophobicContact CG-CG1 4.18Å; I46-V61 HydrophobicContact CD1-CB 3.93Å; I46-V61 HydrophobicContact CD1-CG1 3.66Å; I46-F67 HydrophobicContact CD1-CB 4.15Å; I46-F67 HydrophobicContact CD1-CD2 3.99Å; I46-F67 HydrophobicContact CD1-CG 4.04Å; I46-F67 HydrophobicContact CG1-CB 4.46Å; I46-H68 PolarHBondContact N-O 2.99Å; I46-L69 HydrophobicContact CB-CD1 3.99Å; I46-L69 HydrophobicContact CG2-CD1 3.74Å; I46-N70 PolarHBondContact O-N 2.77Å
47	N	82.8	Confident	81	Confident	32 Å²	32	67.7 Å²	67.7	17%	0.171	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	117.2	177.1	-171.5	-11.6	0	0	0	110.9	C35 S36 E49 N70	C35-N47 WeakPolarHBondContact CA-O 3.42Å; C35-N47 WeakPolarHBondContact CB-O 3.3Å; S36-N47 PolarHBondContact N-O 3.47Å; S36-N47 PolarHBondContact O-N 2.89Å; S36-N47 PolarHBondContact OG-O 3.4Å; N47-E49 PolarHBondContact ND2-OE2 3.09Å; N47-E49 WeakPolarHBondContact OD1-CB 3.36Å; N47-E49 PolarHBondContact OD1-N 3.03Å; N47-N70 PolarHBondContact OD1-ND2 3.45Å
48	C	85.6	Confident	80.8	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.356	C	S	.	.			trans	-116.9	19.2	177.6	-54.7	0	0	0	0	112.7	C35 K51 I53 N70 L71 N74	C35-C48 HydrophobicContact CB-CB 4.03Å; C35-C48 WeakPolarHBondContact CB-SG 3.5Å; C35-C48 WeakPolarHBondContact SG-CB 3.35Å; C35-C48 CovalentContact SG-SG 2.03Å; C35-C48 PolarHBondContact SG-SG 2.99Å; C48-K51 WeakPolarHBondContact O-CB 3.27Å; C48-K51 VanDerWaalsContact O-CG 3.24Å; C48-K51 WeakPolarHBondContact O-CG 3.16Å; C48-I53 HydrophobicContact CB-CD1 3.7Å; C48-N70 WeakPolarHBondContact CA-O 3.48Å; C48-N70 VanDerWaalsContact CB-O 3.25Å; C48-N70 WeakPolarHBondContact CB-O 3.41Å; C48-N70 PolarHBondContact N-O 3.09Å; C48-L71 HydrophobicContact CB-CD2 3.56Å; C48-L71 HydrophobicContact CB-CG 4.33Å; C48-N74 PolarHBondContact O-ND2 3.1Å
49	E	83.1	Confident	80.7	Confident	40 Å²	40	67 Å²	67	19%	0.187	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	137.1	179.8	178.8	174.2	-166.4	0	0	112.8	N47 K51 L72 H827	N47-E49 PolarHBondContact ND2-OE2 3.09Å; N47-E49 WeakPolarHBondContact OD1-CB 3.36Å; N47-E49 PolarHBondContact OD1-N 3.03Å; E49-K51 VanDerWaalsContact C-N 3.26Å; E49-K51 PolarHBondContact O-N 3.15Å; E49-K51 PolarHBondContact O-NZ 3.31Å; E49-L72 WeakPolarHBondContact CA-O 3.42Å; E49-L72 HydrophobicContact CG-CB 4.24Å; E49-H827 IonicContact OE1-CD2 2.68Å; E49-H827 IonicContact OE2-CD2 3.13Å
50	E	83	Confident	80.5	Confident	136 Å²	136	66.2 Å²	66.2	64%	0.636	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	32.6	179.2	-63.7	-166.3	165.4	0	0	115.3	L72 N73	E50-L72 PolarHBondContact N-O 2.89Å; E50-L72 VanDerWaalsContact N-O 3.16Å; E50-N73 WeakPolarHBondContact CA-O 3.27Å; E50-N73 HydrophobicContact CG-CB 3.88Å; E50-N73 WeakPolarHBondContact CG-ND2 3.41Å; E50-N73 PolarHBondContact OE1-ND2 3.3Å
51	K	83.9	Confident	80.6	Confident	102 Å²	102	60.8 Å²	60.8	44%	0.443	32%	0.322	S	S	.	.	S	Bend	trans	-93.6	-7.9	177.8	-60.5	-60.5	171.9	-75.4	0	114.2	L34 C48 E49 I53 N74	L34-K51 VanDerWaalsContact O-CD 3.24Å; L34-K51 WeakPolarHBondContact O-CD 3.18Å; L34-K51 VanDerWaalsContact O-CE 3.29Å; L34-K51 WeakPolarHBondContact O-CE 3.43Å; C48-K51 WeakPolarHBondContact O-CB 3.27Å; C48-K51 VanDerWaalsContact O-CG 3.24Å; C48-K51 WeakPolarHBondContact O-CG 3.16Å; E49-K51 VanDerWaalsContact C-N 3.26Å; E49-K51 PolarHBondContact O-N 3.15Å; E49-K51 PolarHBondContact O-NZ 3.31Å; K51-I53 VanDerWaalsContact C-N 3.26Å; K51-I53 HydrophobicContact CB-CD1 3.96Å; K51-I53 HydrophobicContact CB-CG1 3.96Å; K51-I53 PolarHBondContact O-N 3.46Å; K51-N74 PolarHBondContact N-OD1 3.36Å
52	G	84.4	Confident	80.9	Confident	45 Å²	45	57.2 Å²	57.2	46%	0.464	30%	0.304	S	S	.	.			trans	68.7	23	-179.3	0	0	0	0	0	113.9	N74	G52-N74 PolarHBondContact N-OD1 3.14Å
53	I	86.8	Confident	80.7	Confident	6 Å²	6	56.3 Å²	56.3	3%	0.031	31%	0.305	C	S	.	.			trans	-59.4	137.1	178.9	-67.4	163.4	0	0	0	109.4	C48 K51 E58 I59 L71 N74 G75 L76	C48-I53 HydrophobicContact CB-CD1 3.7Å; K51-I53 VanDerWaalsContact C-N 3.26Å; K51-I53 HydrophobicContact CB-CD1 3.96Å; K51-I53 HydrophobicContact CB-CG1 3.96Å; K51-I53 PolarHBondContact O-N 3.46Å; I53-E58 WeakPolarHBondContact CA-OE2 3.31Å; I53-E58 HydrophobicContact CG2-CB 4.47Å; I53-I59 HydrophobicContact CD1-CG1 4.31Å; I53-I59 HydrophobicContact CG2-CG1 4.44Å; I53-L71 HydrophobicContact CD1-CD2 3.71Å; I53-N74 HydrophobicContact CB-CB 4.45Å; I53-N74 PolarHBondContact N-OD1 3.03Å; I53-G75 CarbonylContact O-C 3.43Å; I53-G75 VanDerWaalsContact O-CA 3.26Å; I53-G75 WeakPolarHBondContact O-CA 3.41Å; I53-G75 PolarHBondContact O-N 2.76Å; I53-L76 HydrophobicContact CG2-CD2 4.36Å
54	K	87.3	Confident	80.6	Confident	146 Å²	146	59.5 Å²	59.5	64%	0.635	33%	0.329	S	S	*	.			trans	-119.2	-20.6	-177.9	-63.8	-171.4	-179.5	-176.9	0	113.8	E58	K54-E58 PolarHBondContact N-OE2 3.01Å
55	M	85.7	Confident	80.4	Confident	108 Å²	108	62.7 Å²	62.7	53%	0.532	34%	0.339	S	S	.	.			trans	-138.2	136.6	178.1	-61.7	177.5	-65.9	0	0	109.1	S57 E58	M55-S57 PolarHBondContact O-N 3.48Å; M55-E58 HydrophobicContact CB-CG 4.24Å; M55-E58 HydrophobicContact CE-CG 4.4Å; M55-E58 WeakPolarHBondContact CE-OE1 3.43Å; M55-E58 PolarHBondContact N-OE2 2.98Å; M55-E58 VanDerWaalsContact O-CB 3.25Å; M55-E58 WeakPolarHBondContact O-CB 2.88Å; M55-E58 WeakPolarHBondContact O-CG 3.37Å; M55-E58 PolarHBondContact O-N 3.34Å
56	I	86.6	Confident	80.6	Confident	8 Å²	8	62.4 Å²	62.4	4%	0.041	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-64.1	-24.8	-177.8	-69.5	156.2	0	0	0	111.8	E58 I59 L76 L79 D83 F84 L87	I56-E58 PolarHBondContact O-N 3.46Å; I56-I59 HydrophobicContact CG2-CD1 4.38Å; I56-I59 WeakPolarHBondContact O-CB 3.38Å; I56-I59 WeakPolarHBondContact O-CG1 3.41Å; I56-I59 PolarHBondContact O-N 2.99Å; I56-L76 HydrophobicContact CG1-CD2 4.44Å; I56-L79 HydrophobicContact CD1-CD2 3.69Å; I56-D83 HydrophobicContact CD1-CB 3.94Å; I56-D83 WeakPolarHBondContact CG2-O 3.47Å; I56-F84 HydrophobicContact CD1-CD1 4.35Å; I56-F84 HydrophobicContact CD1-CD2 4.17Å; I56-F84 HydrophobicContact CD1-CE1 3.69Å; I56-F84 HydrophobicContact CD1-CE2 3.51Å; I56-F84 HydrophobicContact CD1-CZ 3.23Å; I56-F84 HydrophobicContact CG1-CE1 4.46Å; I56-F84 HydrophobicContact CG1-CZ 4.37Å; I56-L87 HydrophobicContact CG2-CD1 3.64Å
57	S	81.4	Confident	80.6	Confident	103 Å²	103	62.5 Å²	62.5	72%	0.72	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-63.8	-11.1	171.4	57.4	0	0	0	0	115.2	M55	M55-S57 PolarHBondContact O-N 3.48Å
58	E	79	Confident	80.6	Confident	77 Å²	77	63.3 Å²	63.3	36%	0.36	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-76	-13.9	171.5	-62.6	167.7	168.1	0	0	111.8	I53 K54 M55 I56	I53-E58 WeakPolarHBondContact CA-OE2 3.31Å; I53-E58 HydrophobicContact CG2-CB 4.47Å; K54-E58 PolarHBondContact N-OE2 3.01Å; M55-E58 HydrophobicContact CB-CG 4.24Å; M55-E58 HydrophobicContact CE-CG 4.4Å; M55-E58 WeakPolarHBondContact CE-OE1 3.43Å; M55-E58 PolarHBondContact N-OE2 2.98Å; M55-E58 VanDerWaalsContact O-CB 3.25Å; M55-E58 WeakPolarHBondContact O-CB 2.88Å; M55-E58 WeakPolarHBondContact O-CG 3.37Å; M55-E58 PolarHBondContact O-N 3.34Å; I56-E58 PolarHBondContact O-N 3.46Å
59	I	79.6	Confident	80.7	Confident	21 Å²	21	63.3 Å²	63.3	11%	0.108	34%	0.344	C	S	.	.			trans	-96.8	127.4	-177.5	-45.8	167	0	0	0	109.9	I53 I56 V61 L71	I53-I59 HydrophobicContact CD1-CG1 4.31Å; I53-I59 HydrophobicContact CG2-CG1 4.44Å; I56-I59 HydrophobicContact CG2-CD1 4.38Å; I56-I59 WeakPolarHBondContact O-CB 3.38Å; I56-I59 WeakPolarHBondContact O-CG1 3.41Å; I56-I59 PolarHBondContact O-N 2.99Å; I59-V61 HydrophobicContact CG2-CG1 3.79Å; I59-L71 HydrophobicContact CD1-CD1 3.71Å; I59-L71 HydrophobicContact CD1-CD2 3.53Å; I59-L71 HydrophobicContact CD1-CG 4.17Å; I59-L71 HydrophobicContact CG1-CD2 4.45Å
60	N	74.2	Confident	80.7	Confident	102 Å²	102	62.6 Å²	62.6	55%	0.545	34%	0.342	S	S	.	.			trans	-117.4	103.5	176	-172.6	9.7	0	0	0	110.3
61	V	73.6	Confident	80.9	Confident	13 Å²	13	56.1 Å²	56.1	8%	0.079	31%	0.311	C	S	.	.			trans	-105.4	151.6	-179.6	-49.7	0	0	0	0	111.4	I46 I59 P63 F67 L87	I46-V61 HydrophobicContact CD1-CB 3.93Å; I46-V61 HydrophobicContact CD1-CG1 3.66Å; I59-V61 HydrophobicContact CG2-CG1 3.79Å; V61-P63 WeakPolarHBondContact O-CD 3.37Å; V61-F67 HydrophobicContact CG2-CE1 3.9Å; V61-F67 HydrophobicContact CG2-CZ 3.89Å; V61-L87 HydrophobicContact CB-CD2 4.33Å; V61-L87 HydrophobicContact CG1-CD2 3.89Å; V61-L87 HydrophobicContact CG2-CD2 3.43Å; V61-L87 VanDerWaalsContact CG2-CD2 3.43Å
62	P	68.1	Low	80.8	Confident	24 Å²	24	51.7 Å²	51.7	16%	0.156	29%	0.292	C	S	.	.			trans	-73.3	120.5	174.2	28.4	-32.5	0	0	0	111.3	M44 S64	M44-P62 HydrophobicContact CE-CG 3.74Å; M44-P62 HydrophobicContact SD-CG 3.46Å; M44-P62 WeakPolarHBondContact SD-CG 3.18Å; P62-S64 PolarHBondContact O-N 2.81Å
63	P	66.6	Low	80.7	Confident	106 Å²	106	53.5 Å²	53.5	69%	0.688	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	14.9	-170.8	33.5	-38.5	0	0	0	114.6	V61 N89	V61-P63 WeakPolarHBondContact O-CD 3.37Å; P63-N89 PolarHBondContact O-ND2 3.2Å
64	S	72	Confident	80.7	Confident	98 Å²	98	53.9 Å²	53.9	69%	0.685	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-3.8	-167.8	56.4	0	0	0	0	115.5	P62	P62-S64 PolarHBondContact O-N 2.81Å
65	R	78.5	Confident	80.7	Confident	90 Å²	90	48.1 Å²	48.1	34%	0.34	28%	0.276	S	S	.	.	S	Bend	trans	-139.7	154.9	-175.5	-79.6	174.6	156.9	-173.2	-20.5	112	E39 N89	E39-R65 IonicContact OE1-CZ 2.63Å; E39-R65 IonicContact OE1-NH1 2.71Å; E39-R65 PolarHBondContact OE1-NH1 3.45Å; E39-R65 IonicContact OE1-NH2 2.69Å; E39-R65 PolarHBondContact OE1-NH2 3.06Å; E39-R65 IonicContact OE2-CZ 3.6Å; E39-R65 IonicContact OE2-NH1 3.75Å; E39-R65 PolarHBondContact OE2-NH1 3.32Å; E39-R65 IonicContact OE2-NH2 2.66Å; R65-N89 WeakPolarHBondContact O-CB 3.12Å; R65-N89 PolarHBondContact O-ND2 3.1Å
66	P	84.6	Confident	80.9	Confident	51 Å²	51	43 Å²	43	33%	0.331	25%	0.251	S	S	.	.			trans	-67.4	143	169.1	28.1	-33.5	0	0	0	111.9	T43 M44 N89 I91	T43-P66 HydrophobicContact CG2-CB 4.4Å; T43-P66 HydrophobicContact CG2-CG 4.12Å; M44-P66 PolarHBondContact N-O 3.46Å; P66-N89 WeakPolarHBondContact CA-O 3.3Å; P66-I91 HydrophobicContact CB-CD1 3.68Å; P66-I91 HydrophobicContact CB-CG1 4.12Å
67	F	85.6	Confident	81	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.018	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	160.8	-179.2	64	-95.8	0	0	0	115.3	M44 I46 V61 L69 L87 N89 A90 I91	M44-F67 HydrophobicContact CB-CB 4.01Å; M44-F67 CarbonylContact O-C 3.54Å; M44-F67 WeakPolarHBondContact O-CA 3.47Å; M44-F67 WeakPolarHBondContact O-CB 3.27Å; I46-F67 HydrophobicContact CD1-CB 4.15Å; I46-F67 HydrophobicContact CD1-CD2 3.99Å; I46-F67 HydrophobicContact CD1-CG 4.04Å; I46-F67 HydrophobicContact CG1-CB 4.46Å; V61-F67 HydrophobicContact CG2-CE1 3.9Å; V61-F67 HydrophobicContact CG2-CZ 3.89Å; F67-L69 HydrophobicContact CD2-CB 4.1Å; F67-L69 HydrophobicContact CE2-CB 4.02Å; F67-L69 HydrophobicContact CE2-CD2 4.3Å; F67-L87 HydrophobicContact CZ-CB 3.98Å; F67-L87 HydrophobicContact CZ-CD2 3.99Å; F67-N89 HydrophobicContact CD1-CB 4.23Å; F67-N89 HydrophobicContact CE1-CB 4.09Å; F67-N89 PolarHBondContact N-O 2.88Å; F67-N89 VanDerWaalsContact N-O 3.07Å; F67-A90 HydrophobicContact CD2-CB 4.24Å; F67-A90 HydrophobicContact CE2-CB 3.66Å; F67-A90 HydrophobicContact CZ-CB 3.91Å; F67-A90 CarbonylContact O-C 3.58Å; F67-A90 WeakPolarHBondContact O-CA 3.3Å; F67-I91 PolarHBondContact O-N 3.23Å
68	H	83.9	Confident	81.5	Confident	49 Å²	49	46.3 Å²	46.3	23%	0.227	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.2	169.5	-59.1	-111.1	0	0	0	108.1	M44 I46 S92	M44-H68 PolarHBondContact O-N 2.94Å; I46-H68 PolarHBondContact N-O 2.99Å; H68-S92 WeakPolarHBondContact ND1-CB 3.49Å
69	L	87.6	Confident	82.2	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	113.9	-175.5	179.7	57.3	0	0	0	111.4	I46 F67 L71 L87 S92 L93 H94	I46-L69 HydrophobicContact CB-CD1 3.99Å; I46-L69 HydrophobicContact CG2-CD1 3.74Å; F67-L69 HydrophobicContact CD2-CB 4.1Å; F67-L69 HydrophobicContact CE2-CB 4.02Å; F67-L69 HydrophobicContact CE2-CD2 4.3Å; L69-L71 HydrophobicContact CD1-CD1 4.43Å; L69-L71 HydrophobicContact CD1-CG 4.22Å; L69-L71 HydrophobicContact CD2-CD1 3.86Å; L69-L71 HydrophobicContact CG-CD1 3.95Å; L69-L71 HydrophobicContact CG-CG 4.12Å; L69-L87 HydrophobicContact CD2-CD1 3.95Å; L69-S92 PolarHBondContact N-O 2.98Å; L69-L93 HydrophobicContact CB-CD1 4.41Å; L69-L93 HydrophobicContact CD2-CD1 4.16Å; L69-L93 HydrophobicContact CG-CD1 4.29Å; L69-L93 WeakPolarHBondContact O-CA 3.32Å; L69-H94 PolarHBondContact O-N 2.91Å
70	N	83.1	Confident	82.7	Confident	24 Å²	24	44 Å²	44	13%	0.128	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.7	172.4	167.9	-11	0	0	0	109.7	I46 N47 C48 L72	I46-N70 PolarHBondContact O-N 2.77Å; N47-N70 PolarHBondContact OD1-ND2 3.45Å; C48-N70 WeakPolarHBondContact CA-O 3.48Å; C48-N70 VanDerWaalsContact CB-O 3.25Å; C48-N70 WeakPolarHBondContact CB-O 3.41Å; C48-N70 PolarHBondContact N-O 3.09Å; N70-L72 WeakPolarHBondContact OD1-CB 3.17Å; N70-L72 WeakPolarHBondContact OD1-CD1 3.45Å; N70-L72 WeakPolarHBondContact OD1-CG 2.79Å; N70-L72 PolarHBondContact OD1-N 3.11Å
71	L	86.3	Confident	83.5	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.247	C	C	.	.			trans	-124.7	28.8	176.4	-76.9	162.4	0	0	0	112.1	C48 I53 I59 L69 N74 L93 H94 L95 N98	C48-L71 HydrophobicContact CB-CD2 3.56Å; C48-L71 HydrophobicContact CB-CG 4.33Å; I53-L71 HydrophobicContact CD1-CD2 3.71Å; I59-L71 HydrophobicContact CD1-CD1 3.71Å; I59-L71 HydrophobicContact CD1-CD2 3.53Å; I59-L71 HydrophobicContact CD1-CG 4.17Å; I59-L71 HydrophobicContact CG1-CD2 4.45Å; L69-L71 HydrophobicContact CD1-CD1 4.43Å; L69-L71 HydrophobicContact CD1-CG 4.22Å; L69-L71 HydrophobicContact CD2-CD1 3.86Å; L69-L71 HydrophobicContact CG-CD1 3.95Å; L69-L71 HydrophobicContact CG-CG 4.12Å; L71-N74 VanDerWaalsContact C-ND2 3.26Å; L71-N74 PolarHBondContact O-ND2 3.23Å; L71-L93 HydrophobicContact CD1-CD1 4.28Å; L71-H94 CarbonylContact C-O 3.56Å; L71-H94 WeakPolarHBondContact CA-O 3.3Å; L71-H94 WeakPolarHBondContact CB-O 3.4Å; L71-H94 PolarHBondContact N-O 2.94Å; L71-L95 HydrophobicContact CB-CD2 4.15Å; L71-L95 HydrophobicContact CD1-CD2 3.95Å; L71-N98 PolarHBondContact O-ND2 3.07Å
72	L	82.7	Confident	84.1	Confident	9 Å²	9	45.4 Å²	45.4	5%	0.047	26%	0.264	C	S	.	.			trans	-59.6	149.6	-179.3	-63.2	167.7	0	0	0	113.2	E49 E50 N70 N74 H94 G96 F97 E829	E49-L72 WeakPolarHBondContact CA-O 3.42Å; E49-L72 HydrophobicContact CG-CB 4.24Å; E50-L72 PolarHBondContact N-O 2.89Å; E50-L72 VanDerWaalsContact N-O 3.16Å; N70-L72 WeakPolarHBondContact OD1-CB 3.17Å; N70-L72 WeakPolarHBondContact OD1-CD1 3.45Å; N70-L72 WeakPolarHBondContact OD1-CG 2.79Å; N70-L72 PolarHBondContact OD1-N 3.11Å; L72-N74 VanDerWaalsContact C-N 3.34Å; L72-N74 PolarHBondContact O-N 2.7Å; L72-N74 PolarHBondContact O-ND2 3.39Å; L72-H94 HydrophobicContact CD2-CB 4.27Å; L72-H94 HydrophobicContact CG-CB 4.39Å; L72-G96 WeakPolarHBondContact CA-O 3.35Å; L72-F97 HydrophobicContact CD2-CD2 4.44Å; L72-E829 HydrophobicContact CD1-CG 3.7Å; L72-E829 WeakPolarHBondContact CD1-OE2 3.34Å
73	N	81.4	Confident	85	Confident	83 Å²	83	47.1 Å²	47.1	44%	0.444	27%	0.272	S	S	.	.	S	Bend	trans	51.4	49.4	173.1	-159.5	9.5	0	0	0	112.9	E50 G96 F97	E50-N73 WeakPolarHBondContact CA-O 3.27Å; E50-N73 HydrophobicContact CG-CB 3.88Å; E50-N73 WeakPolarHBondContact CG-ND2 3.41Å; E50-N73 PolarHBondContact OE1-ND2 3.3Å; N73-G96 PolarHBondContact N-O 3.39Å; N73-F97 WeakPolarHBondContact CA-O 3.11Å
74	N	86.9	Confident	86.1	Confident	14 Å²	14	42.1 Å²	42.1	8%	0.075	24%	0.239	C	C	.	.			trans	-115.9	-179.7	179.2	-84.1	-69.6	0	0	0	111.8	C48 K51 G52 I53 L71 L72 N98	C48-N74 PolarHBondContact O-ND2 3.1Å; K51-N74 PolarHBondContact N-OD1 3.36Å; G52-N74 PolarHBondContact N-OD1 3.14Å; I53-N74 HydrophobicContact CB-CB 4.45Å; I53-N74 PolarHBondContact N-OD1 3.03Å; L71-N74 VanDerWaalsContact C-ND2 3.26Å; L71-N74 PolarHBondContact O-ND2 3.23Å; L72-N74 VanDerWaalsContact C-N 3.34Å; L72-N74 PolarHBondContact O-N 2.7Å; L72-N74 PolarHBondContact O-ND2 3.39Å; N74-N98 WeakPolarHBondContact CA-OD1 3.46Å; N74-N98 WeakPolarHBondContact CB-OD1 3.49Å; N74-N98 PolarHBondContact O-OD1 3.2Å
75	G	86.8	Confident	86.7	Confident	25 Å²	25	40.1 Å²	40.1	26%	0.258	23%	0.229	S	C	.	.			trans	-96.4	23.7	-174.5	0	0	0	0	0	114.8	I53	I53-G75 CarbonylContact O-C 3.43Å; I53-G75 VanDerWaalsContact O-CA 3.26Å; I53-G75 WeakPolarHBondContact O-CA 3.41Å; I53-G75 PolarHBondContact O-N 2.76Å
76	L	90.6	Very high	86.7	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.01	24%	0.243	C	C	.	.			trans	-70.9	134.5	178.4	-56.4	175.3	0	0	0	110.2	I53 I56 L95 N98 N99 I100	I53-L76 HydrophobicContact CG2-CD2 4.36Å; I56-L76 HydrophobicContact CG1-CD2 4.44Å; L76-L95 HydrophobicContact CD1-CD2 3.69Å; L76-N98 HydrophobicContact CB-CB 4.19Å; L76-N98 VanDerWaalsContact CB-OD1 3.3Å; L76-N98 WeakPolarHBondContact CB-OD1 2.98Å; L76-N98 WeakPolarHBondContact CG-OD1 2.97Å; L76-N98 PolarHBondContact N-OD1 2.97Å; L76-N99 CarbonylContact O-C 3.46Å; L76-N99 VanDerWaalsContact O-C 3.23Å; L76-N99 WeakPolarHBondContact O-CA 3.4Å; L76-N99 PolarHBondContact O-N 3.42Å; L76-I100 HydrophobicContact CB-CD1 4.1Å; L76-I100 HydrophobicContact CB-CG1 3.83Å; L76-I100 HydrophobicContact CD1-CD1 4.48Å; L76-I100 PolarHBondContact O-N 2.95Å
77	T	89.3	Confident	86.8	Confident	84 Å²	84	36.7 Å²	36.7	52%	0.515	23%	0.229	S	C	.	.			trans	-126.9	-21.3	-176.1	52.4	0	0	0	0	114.6	N99 I100 A101	T77-N99 WeakPolarHBondContact CA-O 3.47Å; T77-N99 HydrophobicContact CG2-CB 4.38Å; T77-I100 WeakPolarHBondContact O-CA 3.14Å; T77-A101 PolarHBondContact O-N 2.9Å
78	M	91.6	Very high	86.8	Confident	95 Å²	95	38.3 Å²	38.3	47%	0.468	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	147.7	178.7	178.8	174.7	-84.1	0	0	108.2	D102	M78-D102 WeakPolarHBondContact CA-O 3.41Å; M78-D102 HydrophobicContact CE-CB 3.98Å
79	L	92.4	Very high	87	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.3	173.2	-57.3	178.8	0	0	0	109.4	I56 F84 L95 I100 D102 I103 E104 A107 F108	I56-L79 HydrophobicContact CD1-CD2 3.69Å; L79-F84 HydrophobicContact CD1-CE2 4.06Å; L79-F84 HydrophobicContact CD1-CZ 4.31Å; L79-F84 HydrophobicContact CD2-CE2 4.13Å; L79-F84 HydrophobicContact CD2-CZ 4.21Å; L79-L95 HydrophobicContact CD1-CD1 4.04Å; L79-I100 HydrophobicContact CD1-CD1 4.24Å; L79-I100 HydrophobicContact CD2-CD1 4.26Å; L79-I100 HydrophobicContact CG-CD1 4.27Å; L79-I100 HydrophobicContact CG-CG2 4.15Å; L79-D102 PolarHBondContact N-O 3.46Å; L79-D102 VanDerWaalsContact N-O 3.09Å; L79-I103 HydrophobicContact CB-CG1 4.4Å; L79-I103 HydrophobicContact CB-CG2 4.18Å; L79-I103 HydrophobicContact CD1-CD1 4.08Å; L79-I103 HydrophobicContact CD1-CG1 3.99Å; L79-I103 HydrophobicContact CD1-CG2 4.33Å; L79-I103 HydrophobicContact CG-CG1 4.38Å; L79-E104 PolarHBondContact O-N 3.16Å; L79-A107 HydrophobicContact CB-CB 4Å; L79-F108 HydrophobicContact CD1-CE1 4.08Å; L79-F108 HydrophobicContact CD1-CZ 3.94Å
80	C	91.4	Very high	87.1	Confident	49 Å²	49	38.3 Å²	38.3	33%	0.331	25%	0.245	S	C	.	.			trans	-96.9	160.1	-174.7	-55.4	0	0	0	0	112.3	N82 D83 E104 A107	C80-N82 PolarHBondContact O-N 2.72Å; C80-D83 PolarHBondContact N-OD2 3.43Å; C80-D83 WeakPolarHBondContact O-CB 3.46Å; C80-D83 PolarHBondContact O-N 3.4Å; C80-D83 VanDerWaalsContact O-N 3.11Å; C80-E104 WeakPolarHBondContact CA-OE2 3.2Å; C80-A107 VanDerWaalsContact O-CA 3.3Å; C80-A107 WeakPolarHBondContact O-CA 3.16Å; C80-A107 WeakPolarHBondContact O-CB 3.43Å
81	V	89.9	Confident	87.3	Confident	63 Å²	63	39 Å²	39	38%	0.382	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	126.1	-178.5	-169	0	0	0	0	111.8	E104	V81-E104 HydrophobicContact CG2-CB 3.69Å; V81-E104 WeakPolarHBondContact CG2-OE2 3.48Å; V81-E104 PolarHBondContact N-OE2 2.97Å
82	N	87	Confident	87.2	Confident	82 Å²	82	39 Å²	39	44%	0.439	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	14.8	-177.3	-43.8	-58.3	0	0	0	117	C80 F84 A85 G106 N109	C80-N82 PolarHBondContact O-N 2.72Å; N82-F84 PolarHBondContact O-N 2.8Å; N82-A85 HydrophobicContact CB-CB 4.09Å; N82-A85 VanDerWaalsContact O-CB 3.26Å; N82-A85 WeakPolarHBondContact O-CB 3.2Å; N82-A85 PolarHBondContact O-N 3.28Å; N82-G106 PolarHBondContact N-O 3.25Å; N82-G106 VanDerWaalsContact N-O 3.08Å; N82-N109 VanDerWaalsContact OD1-CB 3.24Å; N82-N109 WeakPolarHBondContact OD1-CB 3.34Å; N82-N109 PolarHBondContact OD1-ND2 2.98Å
83	D	87.2	Confident	87.6	Confident	60 Å²	60	38.6 Å²	38.6	32%	0.321	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-32.5	176	-88.4	-11.2	0	0	0	113	I56 C80	I56-D83 HydrophobicContact CD1-CB 3.94Å; I56-D83 WeakPolarHBondContact CG2-O 3.47Å; C80-D83 PolarHBondContact N-OD2 3.43Å; C80-D83 WeakPolarHBondContact O-CB 3.46Å; C80-D83 PolarHBondContact O-N 3.4Å; C80-D83 VanDerWaalsContact O-N 3.11Å
84	F	89.4	Confident	87.7	Confident	1 Å²	1	35.7 Å²	35.7	0%	0.004	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	6	-179.4	-64.2	-91.4	0	0	0	114.7	I56 L79 N82 G86 L87 L93 L95 A107 F108 L111	I56-F84 HydrophobicContact CD1-CD1 4.35Å; I56-F84 HydrophobicContact CD1-CD2 4.17Å; I56-F84 HydrophobicContact CD1-CE1 3.69Å; I56-F84 HydrophobicContact CD1-CE2 3.51Å; I56-F84 HydrophobicContact CD1-CZ 3.23Å; I56-F84 HydrophobicContact CG1-CE1 4.46Å; I56-F84 HydrophobicContact CG1-CZ 4.37Å; L79-F84 HydrophobicContact CD1-CE2 4.06Å; L79-F84 HydrophobicContact CD1-CZ 4.31Å; L79-F84 HydrophobicContact CD2-CE2 4.13Å; L79-F84 HydrophobicContact CD2-CZ 4.21Å; N82-F84 PolarHBondContact O-N 2.8Å; F84-G86 PolarHBondContact O-N 2.92Å; F84-G86 VanDerWaalsContact O-N 3.1Å; F84-L87 HydrophobicContact CD1-CD1 3.74Å; F84-L87 HydrophobicContact CE1-CD1 4.42Å; F84-L87 WeakPolarHBondContact O-CA 3.46Å; F84-L87 WeakPolarHBondContact O-CB 3.18Å; F84-L87 PolarHBondContact O-N 3.11Å; F84-L93 HydrophobicContact CD1-CD2 3.8Å; F84-L93 HydrophobicContact CE1-CD1 3.92Å; F84-L93 HydrophobicContact CE1-CD2 3.32Å; F84-L93 HydrophobicContact CE1-CG 4.25Å; F84-L93 HydrophobicContact CZ-CD2 3.86Å; F84-L95 HydrophobicContact CZ-CD1 4Å; F84-L95 HydrophobicContact CZ-CD2 4.38Å; F84-A107 WeakPolarHBondContact CD2-O 3.43Å; F84-F108 AromaticContact CD2-CD1 3.85Å; F84-F108 HydrophobicContact CD2-CD1 3.85Å; F84-F108 HydrophobicContact CD2-CE1 4.26Å; F84-F108 AromaticContact CE2-CD1 3.8Å; F84-F108 HydrophobicContact CE2-CD1 3.8Å; F84-F108 AromaticContact CE2-CE1 3.73Å; F84-F108 HydrophobicContact CE2-CE1 3.73Å; F84-F108 HydrophobicContact CG-CD1 4.43Å; F84-F108 HydrophobicContact CZ-CD1 4.37Å; F84-F108 HydrophobicContact CZ-CE1 4.06Å; F84-L111 HydrophobicContact CB-CD1 3.69Å; F84-L111 HydrophobicContact CB-CD2 3.96Å; F84-L111 HydrophobicContact CB-CG 3.72Å; F84-L111 HydrophobicContact CD1-CD1 3.89Å; F84-L111 HydrophobicContact CG-CD1 3.79Å; F84-L111 HydrophobicContact CG-CG 4.39Å
85	A	83.8	Confident	87.8	Confident	57 Å²	57	35 Å²	35	47%	0.471	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.1	-173.5	0	0	0	0	0	114.4	N82 L87	N82-A85 HydrophobicContact CB-CB 4.09Å; N82-A85 VanDerWaalsContact O-CB 3.26Å; N82-A85 WeakPolarHBondContact O-CB 3.2Å; N82-A85 PolarHBondContact O-N 3.28Å; A85-L87 VanDerWaalsContact C-N 3.29Å
86	G	78.9	Confident	87.5	Confident	60 Å²	60	33.8 Å²	33.8	62%	0.619	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-6.7	171.4	0	0	0	0	0	114.7	F84	F84-G86 PolarHBondContact O-N 2.92Å; F84-G86 VanDerWaalsContact O-N 3.1Å
87	L	85.9	Confident	87	Confident	9 Å²	9	38.5 Å²	38.5	5%	0.047	23%	0.234	C	C	.	.			trans	-113.8	19.3	-166.1	-56.6	179.8	0	0	0	113.3	I56 V61 F67 L69 F84 A85 N89 A90 L111	I56-L87 HydrophobicContact CG2-CD1 3.64Å; V61-L87 HydrophobicContact CB-CD2 4.33Å; V61-L87 HydrophobicContact CG1-CD2 3.89Å; V61-L87 HydrophobicContact CG2-CD2 3.43Å; V61-L87 VanDerWaalsContact CG2-CD2 3.43Å; F67-L87 HydrophobicContact CZ-CB 3.98Å; F67-L87 HydrophobicContact CZ-CD2 3.99Å; L69-L87 HydrophobicContact CD2-CD1 3.95Å; F84-L87 HydrophobicContact CD1-CD1 3.74Å; F84-L87 HydrophobicContact CE1-CD1 4.42Å; F84-L87 WeakPolarHBondContact O-CA 3.46Å; F84-L87 WeakPolarHBondContact O-CB 3.18Å; F84-L87 PolarHBondContact O-N 3.11Å; A85-L87 VanDerWaalsContact C-N 3.29Å; L87-N89 PolarHBondContact O-N 2.72Å; L87-A90 WeakPolarHBondContact O-CB 3.3Å; L87-A90 PolarHBondContact O-N 2.66Å; L87-L111 HydrophobicContact CB-CD2 4.06Å; L87-L111 VanDerWaalsContact O-CD2 3.29Å; L87-L111 WeakPolarHBondContact O-CD2 3.24Å
88	A	86.1	Confident	86.7	Confident	38 Å²	38	35 Å²	35	31%	0.314	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-18.1	-170.4	0	0	0	0	0	117.1	G110	A88-G110 WeakPolarHBondContact CA-O 3.48Å; A88-G110 VanDerWaalsContact CB-O 3.3Å; A88-G110 WeakPolarHBondContact CB-O 3.39Å
89	N	88.3	Confident	86.5	Confident	47 Å²	47	35.2 Å²	35.2	25%	0.251	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	9.2	176.2	-60.1	-24.9	0	0	0	113.9	P63 R65 P66 F67 L87 I91	P63-N89 PolarHBondContact O-ND2 3.2Å; R65-N89 WeakPolarHBondContact O-CB 3.12Å; R65-N89 PolarHBondContact O-ND2 3.1Å; P66-N89 WeakPolarHBondContact CA-O 3.3Å; F67-N89 HydrophobicContact CD1-CB 4.23Å; F67-N89 HydrophobicContact CE1-CB 4.09Å; F67-N89 PolarHBondContact N-O 2.88Å; F67-N89 VanDerWaalsContact N-O 3.07Å; L87-N89 PolarHBondContact O-N 2.72Å; N89-I91 PolarHBondContact O-N 2.84Å
90	A	89	Confident	86.5	Confident	2 Å²	2	35.3 Å²	35.3	2%	0.017	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	124.4	172.9	0	0	0	0	0	110.4	F67 L87 L111 L113 L114	F67-A90 HydrophobicContact CD2-CB 4.24Å; F67-A90 HydrophobicContact CE2-CB 3.66Å; F67-A90 HydrophobicContact CZ-CB 3.91Å; F67-A90 CarbonylContact O-C 3.58Å; F67-A90 WeakPolarHBondContact O-CA 3.3Å; L87-A90 WeakPolarHBondContact O-CB 3.3Å; L87-A90 PolarHBondContact O-N 2.66Å; A90-L111 HydrophobicContact CB-CD2 4.2Å; A90-L113 CarbonylContact O-C 3.6Å; A90-L114 HydrophobicContact CB-CD1 3.86Å; A90-L114 VanDerWaalsContact O-CA 3.28Å; A90-L114 WeakPolarHBondContact O-CA 3.26Å; A90-L114 PolarHBondContact O-N 3.26Å
91	I	87.2	Confident	86.3	Confident	38 Å²	38	35.5 Å²	35.5	20%	0.195	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-35.4	167.6	-66.2	-179.2	0	0	0	109.7	T43 P66 F67 N89 K115 Q116	T43-I91 HydrophobicContact CG2-CD1 4.2Å; P66-I91 HydrophobicContact CB-CD1 3.68Å; P66-I91 HydrophobicContact CB-CG1 4.12Å; F67-I91 PolarHBondContact O-N 3.23Å; N89-I91 PolarHBondContact O-N 2.84Å; I91-K115 HydrophobicContact CG2-CB 4.12Å; I91-K115 HydrophobicContact CG2-CD 4.22Å; I91-K115 PolarHBondContact O-N 3.47Å; I91-Q116 PolarHBondContact O-N 2.66Å
92	S	84.8	Confident	86.2	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.7	-174.4	170.9	0	0	0	0	111.1	H68 L69 H94 Q116	H68-S92 WeakPolarHBondContact ND1-CB 3.49Å; L69-S92 PolarHBondContact N-O 2.98Å; S92-H94 PolarHBondContact OG-CD2 3.2Å; S92-H94 PolarHBondContact OG-NE2 3.14Å; S92-Q116 VanDerWaalsContact OG-CD 3.27Å; S92-Q116 PolarHBondContact OG-OE1 2.88Å
93	L	90.4	Very high	86.5	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	114.5	178.6	176.5	57.4	0	0	0	110.4	L69 L71 F84 L95 F108 L111 L114 Q116 L117 H118	L69-L93 HydrophobicContact CB-CD1 4.41Å; L69-L93 HydrophobicContact CD2-CD1 4.16Å; L69-L93 HydrophobicContact CG-CD1 4.29Å; L69-L93 WeakPolarHBondContact O-CA 3.32Å; L71-L93 HydrophobicContact CD1-CD1 4.28Å; F84-L93 HydrophobicContact CD1-CD2 3.8Å; F84-L93 HydrophobicContact CE1-CD1 3.92Å; F84-L93 HydrophobicContact CE1-CD2 3.32Å; F84-L93 HydrophobicContact CE1-CG 4.25Å; F84-L93 HydrophobicContact CZ-CD2 3.86Å; L93-L95 HydrophobicContact CD1-CD1 4.46Å; L93-L95 HydrophobicContact CD1-CD2 4.04Å; L93-L95 HydrophobicContact CD1-CG 4.01Å; L93-L95 HydrophobicContact CD2-CD1 4.06Å; L93-L95 HydrophobicContact CD2-CG 4.48Å; L93-L95 HydrophobicContact CG-CD1 4.09Å; L93-L95 HydrophobicContact CG-CG 3.99Å; L93-F108 HydrophobicContact CD2-CE1 4.34Å; L93-L111 HydrophobicContact CD2-CD1 3.96Å; L93-L114 HydrophobicContact CB-CD1 3.73Å; L93-L114 HydrophobicContact CB-CD2 4.23Å; L93-L114 HydrophobicContact CD2-CD2 4.48Å; L93-Q116 PolarHBondContact N-O 3.34Å; L93-L117 HydrophobicContact CB-CD1 4.22Å; L93-L117 HydrophobicContact CD2-CD1 3.91Å; L93-L117 HydrophobicContact CG-CD1 4Å; L93-H118 PolarHBondContact O-N 2.98Å
94	H	85	Confident	86.7	Confident	22 Å²	22	31.9 Å²	31.9	10%	0.102	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.2	176.2	-58	-116.4	0	0	0	110	L69 L71 L72 S92 H118 E829	L69-H94 PolarHBondContact O-N 2.91Å; L71-H94 CarbonylContact C-O 3.56Å; L71-H94 WeakPolarHBondContact CA-O 3.3Å; L71-H94 WeakPolarHBondContact CB-O 3.4Å; L71-H94 PolarHBondContact N-O 2.94Å; L72-H94 HydrophobicContact CD2-CB 4.27Å; L72-H94 HydrophobicContact CG-CB 4.39Å; S92-H94 PolarHBondContact OG-CD2 3.2Å; S92-H94 PolarHBondContact OG-NE2 3.14Å; H94-H118 HydrophobicContact CB-CB 4.5Å; H94-H118 AromaticContact CE1-CD2 3.48Å; H94-H118 PolarHBondContact CE1-CD2 3.31Å; H94-H118 VanDerWaalsContact CE1-CD2 3.48Å; H94-H118 AromaticContact CE1-CE1 3.86Å; H94-H118 AromaticContact CE1-NE2 3.43Å; H94-H118 PolarHBondContact CE1-NE2 3Å; H94-H118 AromaticContact CG-CD2 3.89Å; H94-H118 AromaticContact ND1-CD2 3.5Å; H94-H118 PolarHBondContact ND1-CD2 2.88Å; H94-H118 AromaticContact ND1-CG 3.68Å; H94-H118 AromaticContact ND1-NE2 3.89Å; H94-H118 AromaticContact NE2-CD2 3.9Å; H94-H118 AromaticContact NE2-NE2 3.93Å; H94-E829 IonicContact CE1-OE2 2.66Å; H94-E829 IonicContact CG-OE2 3.8Å; H94-E829 IonicContact ND1-OE2 3.67Å; H94-E829 PolarHBondContact ND1-OE2 3.4Å
95	L	89.6	Confident	86.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	22%	0.217	C	C	.	.			trans	-114.6	14	178.7	-63.2	167.1	0	0	0	111.7	L71 L76 L79 F84 L93 N98 I100 F108 L117 H118 I119 N122	L71-L95 HydrophobicContact CB-CD2 4.15Å; L71-L95 HydrophobicContact CD1-CD2 3.95Å; L76-L95 HydrophobicContact CD1-CD2 3.69Å; L79-L95 HydrophobicContact CD1-CD1 4.04Å; F84-L95 HydrophobicContact CZ-CD1 4Å; F84-L95 HydrophobicContact CZ-CD2 4.38Å; L93-L95 HydrophobicContact CD1-CD1 4.46Å; L93-L95 HydrophobicContact CD1-CD2 4.04Å; L93-L95 HydrophobicContact CD1-CG 4.01Å; L93-L95 HydrophobicContact CD2-CD1 4.06Å; L93-L95 HydrophobicContact CD2-CG 4.48Å; L93-L95 HydrophobicContact CG-CD1 4.09Å; L93-L95 HydrophobicContact CG-CG 3.99Å; L95-N98 PolarHBondContact O-ND2 3.34Å; L95-N98 VanDerWaalsContact O-ND2 3.09Å; L95-I100 HydrophobicContact CB-CD1 4.2Å; L95-F108 HydrophobicContact CD1-CE1 4.33Å; L95-L117 HydrophobicContact CD1-CD1 4.22Å; L95-H118 WeakPolarHBondContact CA-O 3.38Å; L95-H118 PolarHBondContact N-O 2.74Å; L95-I119 HydrophobicContact CB-CG2 4.21Å; L95-I119 HydrophobicContact CD1-CG2 4Å; L95-N122 PolarHBondContact O-ND2 3Å
96	G	80.1	Confident	86.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	156.2	-177.9	0	0	0	0	0	113.9	L72 N73 N98 N120	L72-G96 WeakPolarHBondContact CA-O 3.35Å; N73-G96 PolarHBondContact N-O 3.39Å; G96-N98 PolarHBondContact O-N 3.15Å; G96-N98 VanDerWaalsContact O-N 3.12Å; G96-N98 PolarHBondContact O-ND2 3.03Å; G96-N120 VanDerWaalsContact CA-O 3.26Å; G96-N120 WeakPolarHBondContact CA-O 3.36Å; G96-N120 WeakPolarHBondContact CA-OD1 3.21Å
97	F	79.9	Confident	87.6	Confident	100 Å²	100	29.4 Å²	29.4	44%	0.439	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	32.1	178.5	-60.5	-88.6	0	0	0	114.1	L72 N73 N120 H121	L72-F97 HydrophobicContact CD2-CD2 4.44Å; N73-F97 WeakPolarHBondContact CA-O 3.11Å; F97-N120 PolarHBondContact N-O 3.46Å; F97-H121 VanDerWaalsContact CA-O 3.31Å; F97-H121 WeakPolarHBondContact CA-O 3.35Å; F97-H121 HydrophobicContact CD1-CB 3.8Å; F97-H121 HydrophobicContact CD2-CB 4.29Å; F97-H121 HydrophobicContact CE1-CB 3.83Å; F97-H121 AromaticContact CE1-CD2 3.21Å; F97-H121 WeakPolarHBondContact CE1-CD2 3.45Å; F97-H121 AromaticContact CE1-CG 3.64Å; F97-H121 AromaticContact CE1-NE2 4Å; F97-H121 HydrophobicContact CE2-CB 4.31Å; F97-H121 HydrophobicContact CG-CB 4.04Å; F97-H121 HydrophobicContact CZ-CB 4.08Å; F97-H121 AromaticContact CZ-CD2 3.44Å; F97-H121 VanDerWaalsContact CZ-CD2 3.44Å; F97-H121 WeakPolarHBondContact CZ-CD2 3.48Å; F97-H121 AromaticContact CZ-CG 3.65Å; F97-H121 AromaticContact CZ-NE2 3.86Å; F97-H121 PolarHBondContact N-O 3.14Å
98	N	82.3	Confident	87.9	Confident	11 Å²	11	29 Å²	29	6%	0.059	16%	0.164	C	C	.	.	S	Bend	trans	-98.7	-178.5	167.2	-79.4	-101.8	0	0	0	109.1	L71 N74 L76 L95 G96 I100 N122	L71-N98 PolarHBondContact O-ND2 3.07Å; N74-N98 WeakPolarHBondContact CA-OD1 3.46Å; N74-N98 WeakPolarHBondContact CB-OD1 3.49Å; N74-N98 PolarHBondContact O-OD1 3.2Å; L76-N98 HydrophobicContact CB-CB 4.19Å; L76-N98 VanDerWaalsContact CB-OD1 3.3Å; L76-N98 WeakPolarHBondContact CB-OD1 2.98Å; L76-N98 WeakPolarHBondContact CG-OD1 2.97Å; L76-N98 PolarHBondContact N-OD1 2.97Å; L95-N98 PolarHBondContact O-ND2 3.34Å; L95-N98 VanDerWaalsContact O-ND2 3.09Å; G96-N98 PolarHBondContact O-N 3.15Å; G96-N98 VanDerWaalsContact O-N 3.12Å; G96-N98 PolarHBondContact O-ND2 3.03Å; N98-I100 HydrophobicContact CB-CD1 4.12Å; N98-I100 HydrophobicContact CB-CG1 3.94Å; N98-N122 VanDerWaalsContact CB-OD1 3.3Å; N98-N122 WeakPolarHBondContact CB-OD1 3.06Å; N98-N122 PolarHBondContact O-OD1 3.18Å; N98-N122 VanDerWaalsContact O-OD1 3.14Å
99	N	87.1	Confident	88.1	Confident	99 Å²	99	29.3 Å²	29.3	53%	0.529	16%	0.16	S	C	.	.			trans	-109.4	34.3	178.9	-153.3	119.9	0	0	0	111	L76 T77 A101 S123	L76-N99 CarbonylContact O-C 3.46Å; L76-N99 VanDerWaalsContact O-C 3.23Å; L76-N99 WeakPolarHBondContact O-CA 3.4Å; L76-N99 PolarHBondContact O-N 3.42Å; T77-N99 WeakPolarHBondContact CA-O 3.47Å; T77-N99 HydrophobicContact CG2-CB 4.38Å; N99-A101 PolarHBondContact O-N 2.76Å; N99-S123 PolarHBondContact ND2-OG 2.88Å
100	I	92.1	Very high	87.9	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.01	17%	0.167	C	C	.	.			trans	-69.5	118.1	-174.5	-55.3	167.9	0	0	0	109.1	L76 T77 L79 L95 N98 I103 N122 S123 L124	L76-I100 HydrophobicContact CB-CD1 4.1Å; L76-I100 HydrophobicContact CB-CG1 3.83Å; L76-I100 HydrophobicContact CD1-CD1 4.48Å; L76-I100 PolarHBondContact O-N 2.95Å; T77-I100 WeakPolarHBondContact O-CA 3.14Å; L79-I100 HydrophobicContact CD1-CD1 4.24Å; L79-I100 HydrophobicContact CD2-CD1 4.26Å; L79-I100 HydrophobicContact CG-CD1 4.27Å; L79-I100 HydrophobicContact CG-CG2 4.15Å; L95-I100 HydrophobicContact CB-CD1 4.2Å; N98-I100 HydrophobicContact CB-CD1 4.12Å; N98-I100 HydrophobicContact CB-CG1 3.94Å; I100-I103 HydrophobicContact CG2-CG1 4.11Å; I100-N122 HydrophobicContact CB-CB 4.49Å; I100-N122 VanDerWaalsContact CB-OD1 3.22Å; I100-N122 WeakPolarHBondContact CB-OD1 3.49Å; I100-N122 VanDerWaalsContact CG1-OD1 3.27Å; I100-N122 WeakPolarHBondContact CG1-OD1 3.33Å; I100-N122 PolarHBondContact N-OD1 2.96Å; I100-S123 CarbonylContact O-C 3.54Å; I100-S123 VanDerWaalsContact O-C 3.27Å; I100-S123 VanDerWaalsContact O-CA 3.31Å; I100-S123 WeakPolarHBondContact O-CA 3.35Å; I100-S123 PolarHBondContact O-N 3.19Å; I100-L124 HydrophobicContact CG2-CD2 3.98Å; I100-L124 PolarHBondContact O-N 2.95Å
101	A	88.3	Confident	88	Confident	54 Å²	54	28.8 Å²	28.8	45%	0.446	17%	0.166	S	C	.	.			trans	-102.4	-25.6	-179.3	0	0	0	0	0	113.3	T77 N99	T77-A101 PolarHBondContact O-N 2.9Å; N99-A101 PolarHBondContact O-N 2.76Å
102	D	87.6	Confident	88	Confident	48 Å²	48	29.6 Å²	29.6	26%	0.257	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	151.3	178.7	-159	-4	0	0	0	112.2	M78 L79 K128	M78-D102 WeakPolarHBondContact CA-O 3.41Å; M78-D102 HydrophobicContact CE-CB 3.98Å; L79-D102 PolarHBondContact N-O 3.46Å; L79-D102 VanDerWaalsContact N-O 3.09Å; D102-K128 WeakPolarHBondContact OD1-CE 3Å; D102-K128 IonicContact OD1-NZ 3.17Å; D102-K128 PolarHBondContact OD1-NZ 3.5Å; D102-K128 IonicContact OD2-NZ 3.72Å; D102-K128 PolarHBondContact OD2-NZ 3.4Å
103	I	93.8	Very high	88.2	Confident	5 Å²	5	34 Å²	34	3%	0.026	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	115.8	177.6	-54.8	180	0	0	0	107.5	L79 I100 A107 F108 L124 T131	L79-I103 HydrophobicContact CB-CG1 4.4Å; L79-I103 HydrophobicContact CB-CG2 4.18Å; L79-I103 HydrophobicContact CD1-CD1 4.08Å; L79-I103 HydrophobicContact CD1-CG1 3.99Å; L79-I103 HydrophobicContact CD1-CG2 4.33Å; L79-I103 HydrophobicContact CG-CG1 4.38Å; I100-I103 HydrophobicContact CG2-CG1 4.11Å; I103-A107 HydrophobicContact CG2-CB 3.86Å; I103-F108 HydrophobicContact CD1-CE2 4.39Å; I103-F108 HydrophobicContact CD1-CZ 4.24Å; I103-F108 HydrophobicContact CG2-CE2 3.86Å; I103-F108 HydrophobicContact CG2-CZ 4.24Å; I103-L124 HydrophobicContact CD1-CD1 4.04Å; I103-L124 HydrophobicContact CD1-CD2 3.98Å; I103-L124 HydrophobicContact CG1-CD2 3.86Å; I103-T131 HydrophobicContact CB-CG2 4.1Å; I103-T131 HydrophobicContact CG2-CG2 3.88Å
104	E	91.9	Very high	88.4	Confident	76 Å²	76	34 Å²	34	36%	0.355	20%	0.198	S	C	.	.			trans	-68.7	139.3	176.8	-64.5	-166.6	128.4	0	0	111.3	L79 C80 V81 G106 A107	L79-E104 PolarHBondContact O-N 3.16Å; C80-E104 WeakPolarHBondContact CA-OE2 3.2Å; V81-E104 HydrophobicContact CG2-CB 3.69Å; V81-E104 WeakPolarHBondContact CG2-OE2 3.48Å; V81-E104 PolarHBondContact N-OE2 2.97Å; E104-G106 PolarHBondContact O-N 2.63Å; E104-A107 WeakPolarHBondContact O-CB 3.5Å; E104-A107 PolarHBondContact O-N 3.36Å
105	P	89.8	Confident	88.4	Confident	63 Å²	63	35.1 Å²	35.1	41%	0.409	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	121.7	175.6	-27.2	36	0	0	0	112.1
106	G	88	Confident	88	Confident	2 Å²	2	35.6 Å²	35.6	2%	0.021	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	15.5	-172.9	0	0	0	0	0	115.5	N82 E104 F108 N109	N82-G106 PolarHBondContact N-O 3.25Å; N82-G106 VanDerWaalsContact N-O 3.08Å; E104-G106 PolarHBondContact O-N 2.63Å; G106-F108 PolarHBondContact O-N 3.33Å; G106-N109 WeakPolarHBondContact CA-OD1 3.4Å; G106-N109 VanDerWaalsContact O-CB 3.26Å; G106-N109 WeakPolarHBondContact O-CB 3.06Å; G106-N109 PolarHBondContact O-N 3.12Å; G106-N109 PolarHBondContact O-ND2 3.35Å; G106-N109 VanDerWaalsContact O-ND2 3.12Å
107	A	92.2	Very high	88.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-43.9	166.6	0	0	0	0	0	111.7	L79 C80 F84 I103 E104 N109	L79-A107 HydrophobicContact CB-CB 4Å; C80-A107 VanDerWaalsContact O-CA 3.3Å; C80-A107 WeakPolarHBondContact O-CA 3.16Å; C80-A107 WeakPolarHBondContact O-CB 3.43Å; F84-A107 WeakPolarHBondContact CD2-O 3.43Å; I103-A107 HydrophobicContact CG2-CB 3.86Å; E104-A107 WeakPolarHBondContact O-CB 3.5Å; E104-A107 PolarHBondContact O-N 3.36Å; A107-N109 PolarHBondContact O-N 3.46Å
108	F	93.6	Very high	88.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	11.8	178.8	-53.7	-63.4	0	0	0	114.9	L79 F84 L93 L95 I103 G106 G110 L111 L117 T131 F132 L135	L79-F108 HydrophobicContact CD1-CE1 4.08Å; L79-F108 HydrophobicContact CD1-CZ 3.94Å; F84-F108 AromaticContact CD2-CD1 3.85Å; F84-F108 HydrophobicContact CD2-CD1 3.85Å; F84-F108 HydrophobicContact CD2-CE1 4.26Å; F84-F108 AromaticContact CE2-CD1 3.8Å; F84-F108 HydrophobicContact CE2-CD1 3.8Å; F84-F108 AromaticContact CE2-CE1 3.73Å; F84-F108 HydrophobicContact CE2-CE1 3.73Å; F84-F108 HydrophobicContact CG-CD1 4.43Å; F84-F108 HydrophobicContact CZ-CD1 4.37Å; F84-F108 HydrophobicContact CZ-CE1 4.06Å; L93-F108 HydrophobicContact CD2-CE1 4.34Å; L95-F108 HydrophobicContact CD1-CE1 4.33Å; I103-F108 HydrophobicContact CD1-CE2 4.39Å; I103-F108 HydrophobicContact CD1-CZ 4.24Å; I103-F108 HydrophobicContact CG2-CE2 3.86Å; I103-F108 HydrophobicContact CG2-CZ 4.24Å; G106-F108 PolarHBondContact O-N 3.33Å; F108-G110 PolarHBondContact O-N 3.18Å; F108-L111 HydrophobicContact CB-CD1 4.26Å; F108-L111 HydrophobicContact CD1-CD1 3.98Å; F108-L111 WeakPolarHBondContact O-CB 3.05Å; F108-L111 PolarHBondContact O-N 3.29Å; F108-L111 VanDerWaalsContact O-N 3.14Å; F108-L117 HydrophobicContact CE1-CD1 4.28Å; F108-L117 HydrophobicContact CE1-CD2 4.21Å; F108-L117 HydrophobicContact CE2-CD2 4.08Å; F108-L117 HydrophobicContact CZ-CD1 4.48Å; F108-L117 HydrophobicContact CZ-CD2 3.86Å; F108-T131 WeakPolarHBondContact CD2-O 3.47Å; F108-F132 HydrophobicContact CD2-CD1 4.4Å; F108-F132 HydrophobicContact CE2-CD1 4.1Å; F108-F132 HydrophobicContact CE2-CE1 4.35Å; F108-L135 HydrophobicContact CB-CD1 3.96Å; F108-L135 HydrophobicContact CB-CD2 3.88Å; F108-L135 HydrophobicContact CB-CG 3.78Å; F108-L135 HydrophobicContact CD2-CD1 3.86Å; F108-L135 HydrophobicContact CG-CD1 3.9Å; F108-L135 HydrophobicContact CG-CD2 4.47Å; F108-L135 HydrophobicContact CG-CG 4.29Å
109	N	90.1	Very high	89.4	Confident	46 Å²	46	30.4 Å²	30.4	25%	0.246	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	129.1	176.1	-79.8	-16.5	0	0	0	111.4	N82 G106 A107	N82-N109 VanDerWaalsContact OD1-CB 3.24Å; N82-N109 WeakPolarHBondContact OD1-CB 3.34Å; N82-N109 PolarHBondContact OD1-ND2 2.98Å; G106-N109 WeakPolarHBondContact CA-OD1 3.4Å; G106-N109 VanDerWaalsContact O-CB 3.26Å; G106-N109 WeakPolarHBondContact O-CB 3.06Å; G106-N109 PolarHBondContact O-N 3.12Å; G106-N109 PolarHBondContact O-ND2 3.35Å; G106-N109 VanDerWaalsContact O-ND2 3.12Å; A107-N109 PolarHBondContact O-N 3.46Å
110	G	82.7	Confident	89.2	Confident	38 Å²	38	26 Å²	26	39%	0.392	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	-12.4	-179.6	0	0	0	0	0	115	A88 F108 S112	A88-G110 WeakPolarHBondContact CA-O 3.48Å; A88-G110 VanDerWaalsContact CB-O 3.3Å; A88-G110 WeakPolarHBondContact CB-O 3.39Å; F108-G110 PolarHBondContact O-N 3.18Å; G110-S112 PolarHBondContact O-N 3.17Å
111	L	90.8	Very high	88.6	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.169	C	C	.	.			trans	-79.6	43	176.1	-66.1	-172.1	0	0	0	113.4	F84 L87 A90 L93 F108 L113 L114 L135	F84-L111 HydrophobicContact CB-CD1 3.69Å; F84-L111 HydrophobicContact CB-CD2 3.96Å; F84-L111 HydrophobicContact CB-CG 3.72Å; F84-L111 HydrophobicContact CD1-CD1 3.89Å; F84-L111 HydrophobicContact CG-CD1 3.79Å; F84-L111 HydrophobicContact CG-CG 4.39Å; L87-L111 HydrophobicContact CB-CD2 4.06Å; L87-L111 VanDerWaalsContact O-CD2 3.29Å; L87-L111 WeakPolarHBondContact O-CD2 3.24Å; A90-L111 HydrophobicContact CB-CD2 4.2Å; L93-L111 HydrophobicContact CD2-CD1 3.96Å; F108-L111 HydrophobicContact CB-CD1 4.26Å; F108-L111 HydrophobicContact CD1-CD1 3.98Å; F108-L111 WeakPolarHBondContact O-CB 3.05Å; F108-L111 PolarHBondContact O-N 3.29Å; F108-L111 VanDerWaalsContact O-N 3.14Å; L111-L113 PolarHBondContact O-N 2.9Å; L111-L113 VanDerWaalsContact O-N 3.17Å; L111-L114 HydrophobicContact CB-CB 4.09Å; L111-L114 HydrophobicContact CD1-CD2 4.15Å; L111-L114 VanDerWaalsContact O-CB 3.26Å; L111-L114 WeakPolarHBondContact O-CB 3.32Å; L111-L114 PolarHBondContact O-N 3.23Å; L111-L135 HydrophobicContact CB-CD2 3.62Å; L111-L135 HydrophobicContact CD1-CD2 4.34Å
112	S	88.3	Confident	88.5	Confident	55 Å²	55	26 Å²	26	39%	0.385	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-13.1	-173.5	60.6	0	0	0	0	114.7	G110 G134 N137	G110-S112 PolarHBondContact O-N 3.17Å; S112-G134 WeakPolarHBondContact CA-O 3.24Å; S112-N137 PolarHBondContact O-ND2 2.81Å
113	L	89.8	Confident	88.7	Confident	93 Å²	93	25 Å²	25	49%	0.487	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-2.3	173.5	-63.7	178.3	0	0	0	113.6	A90 L111 K115	A90-L113 CarbonylContact O-C 3.6Å; L111-L113 PolarHBondContact O-N 2.9Å; L111-L113 VanDerWaalsContact O-N 3.17Å; L113-K115 PolarHBondContact O-N 3.16Å
114	L	92.9	Very high	88.5	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.146	C	C	.	.			trans	-71.3	119.2	-176.2	-166.1	80.3	0	0	0	110.8	A90 L93 L111 Q116 L117 L135 N137 L138	A90-L114 HydrophobicContact CB-CD1 3.86Å; A90-L114 VanDerWaalsContact O-CA 3.28Å; A90-L114 WeakPolarHBondContact O-CA 3.26Å; A90-L114 PolarHBondContact O-N 3.26Å; L93-L114 HydrophobicContact CB-CD1 3.73Å; L93-L114 HydrophobicContact CB-CD2 4.23Å; L93-L114 HydrophobicContact CD2-CD2 4.48Å; L111-L114 HydrophobicContact CB-CB 4.09Å; L111-L114 HydrophobicContact CD1-CD2 4.15Å; L111-L114 VanDerWaalsContact O-CB 3.26Å; L111-L114 WeakPolarHBondContact O-CB 3.32Å; L111-L114 PolarHBondContact O-N 3.23Å; L114-Q116 WeakPolarHBondContact CD1-O 3.3Å; L114-Q116 WeakPolarHBondContact CD2-O 3.43Å; L114-Q116 VanDerWaalsContact CG-O 3.26Å; L114-Q116 WeakPolarHBondContact CG-O 3.38Å; L114-L117 HydrophobicContact CD2-CB 4.15Å; L114-L117 HydrophobicContact CD2-CD1 4.46Å; L114-L135 HydrophobicContact CB-CD2 3.97Å; L114-L135 HydrophobicContact CD2-CD2 3.6Å; L114-L135 HydrophobicContact CG-CD2 4.41Å; L114-N137 CarbonylContact O-C 3.56Å; L114-N137 VanDerWaalsContact O-C 3.29Å; L114-L138 HydrophobicContact CD2-CD1 4.11Å; L114-L138 HydrophobicContact CG-CD1 4.32Å; L114-L138 VanDerWaalsContact O-CA 3.27Å; L114-L138 WeakPolarHBondContact O-CA 3.33Å; L114-L138 PolarHBondContact O-N 3.4Å
115	K	85.8	Confident	88.3	Confident	46 Å²	46	27.4 Å²	27.4	20%	0.2	16%	0.157	C	C	.	.			trans	-92.3	-33	178.1	-90.7	-175.7	154.3	-166	0	112.6	I91 L113 E139 F140 L836 E837	I91-K115 HydrophobicContact CG2-CB 4.12Å; I91-K115 HydrophobicContact CG2-CD 4.22Å; I91-K115 PolarHBondContact O-N 3.47Å; L113-K115 PolarHBondContact O-N 3.16Å; K115-E139 WeakPolarHBondContact CE-OE2 3.25Å; K115-E139 PolarHBondContact O-N 3.36Å; K115-E139 VanDerWaalsContact O-N 3.08Å; K115-F140 PolarHBondContact O-N 3.28Å; K115-L836 HydrophobicContact CB-CD2 3.51Å; K115-L836 HydrophobicContact CD-CD2 3.58Å; K115-L836 HydrophobicContact CG-CD2 3.62Å; K115-E837 IonicContact NZ-OE1 2.66Å; K115-E837 PolarHBondContact NZ-OE1 2.93Å
116	Q	81.8	Confident	88.3	Confident	9 Å²	9	28 Å²	28	4%	0.042	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.4	-173.7	-17.1	177.1	-11.3	0	0	111.8	I91 S92 L93 L114 L833	I91-Q116 PolarHBondContact O-N 2.66Å; S92-Q116 VanDerWaalsContact OG-CD 3.27Å; S92-Q116 PolarHBondContact OG-OE1 2.88Å; L93-Q116 PolarHBondContact N-O 3.34Å; L114-Q116 WeakPolarHBondContact CD1-O 3.3Å; L114-Q116 WeakPolarHBondContact CD2-O 3.43Å; L114-Q116 VanDerWaalsContact CG-O 3.26Å; L114-Q116 WeakPolarHBondContact CG-O 3.38Å; Q116-L833 HydrophobicContact CB-CD1 3.99Å; Q116-L833 HydrophobicContact CG-CD1 3.45Å; Q116-L833 VanDerWaalsContact CG-CD1 3.45Å; Q116-L833 HydrophobicContact CG-CD2 3.69Å; Q116-L833 HydrophobicContact CG-CG 3.95Å; Q116-L833 VanDerWaalsContact NE2-CD1 3.34Å
117	L	93.1	Very high	88.6	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	119.1	167.8	-179.6	57.9	0	0	0	110.8	L93 L95 F108 L114 I119 F132 L135 L138 F140 L141 Q142	L93-L117 HydrophobicContact CB-CD1 4.22Å; L93-L117 HydrophobicContact CD2-CD1 3.91Å; L93-L117 HydrophobicContact CG-CD1 4Å; L95-L117 HydrophobicContact CD1-CD1 4.22Å; F108-L117 HydrophobicContact CE1-CD1 4.28Å; F108-L117 HydrophobicContact CE1-CD2 4.21Å; F108-L117 HydrophobicContact CE2-CD2 4.08Å; F108-L117 HydrophobicContact CZ-CD1 4.48Å; F108-L117 HydrophobicContact CZ-CD2 3.86Å; L114-L117 HydrophobicContact CD2-CB 4.15Å; L114-L117 HydrophobicContact CD2-CD1 4.46Å; L117-I119 HydrophobicContact CD1-CG2 3.93Å; L117-I119 HydrophobicContact CD2-CG2 4.5Å; L117-I119 HydrophobicContact CG-CG2 4.08Å; L117-F132 HydrophobicContact CD2-CD1 4.05Å; L117-F132 HydrophobicContact CD2-CE1 4.03Å; L117-L135 HydrophobicContact CD2-CD1 3.75Å; L117-L138 HydrophobicContact CB-CD1 3.77Å; L117-L138 HydrophobicContact CB-CD2 4.38Å; L117-F140 PolarHBondContact N-O 2.64Å; L117-F140 VanDerWaalsContact N-O 3.15Å; L117-L141 HydrophobicContact CB-CD1 3.98Å; L117-L141 HydrophobicContact CD2-CD1 3.94Å; L117-L141 HydrophobicContact CG-CD1 3.96Å; L117-Q142 PolarHBondContact O-N 3.2Å
118	H	84.9	Confident	88.6	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	112.3	174.6	-52.3	-112.2	0	0	0	108.9	L93 H94 L95 F140 Q142	L93-H118 PolarHBondContact O-N 2.98Å; H94-H118 HydrophobicContact CB-CB 4.5Å; H94-H118 AromaticContact CE1-CD2 3.48Å; H94-H118 PolarHBondContact CE1-CD2 3.31Å; H94-H118 VanDerWaalsContact CE1-CD2 3.48Å; H94-H118 AromaticContact CE1-CE1 3.86Å; H94-H118 AromaticContact CE1-NE2 3.43Å; H94-H118 PolarHBondContact CE1-NE2 3Å; H94-H118 AromaticContact CG-CD2 3.89Å; H94-H118 AromaticContact ND1-CD2 3.5Å; H94-H118 PolarHBondContact ND1-CD2 2.88Å; H94-H118 AromaticContact ND1-CG 3.68Å; H94-H118 AromaticContact ND1-NE2 3.89Å; H94-H118 AromaticContact NE2-CD2 3.9Å; H94-H118 AromaticContact NE2-NE2 3.93Å; L95-H118 WeakPolarHBondContact CA-O 3.38Å; L95-H118 PolarHBondContact N-O 2.74Å; H118-F140 AromaticContact CE1-CD1 4Å; H118-F140 AromaticContact CE1-CE1 3.34Å; H118-F140 WeakPolarHBondContact CE1-CE1 3.4Å; H118-F140 AromaticContact ND1-CE1 3.64Å; H118-F140 AromaticContact NE2-CD1 3.99Å; H118-F140 AromaticContact NE2-CE1 3.78Å; H118-Q142 PolarHBondContact ND1-OE1 3.22Å
119	I	92.6	Very high	88.4	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.186	C	C	.	.			trans	-122.6	23.8	176.5	54	171.8	0	0	0	111.1	L95 L117 N122 L124 F132 L141 Q142 A143 N146	L95-I119 HydrophobicContact CB-CG2 4.21Å; L95-I119 HydrophobicContact CD1-CG2 4Å; L117-I119 HydrophobicContact CD1-CG2 3.93Å; L117-I119 HydrophobicContact CD2-CG2 4.5Å; L117-I119 HydrophobicContact CG-CG2 4.08Å; I119-N122 PolarHBondContact O-ND2 3.04Å; I119-L124 HydrophobicContact CD1-CD1 3.9Å; I119-F132 HydrophobicContact CD1-CE1 3.98Å; I119-F132 HydrophobicContact CD1-CZ 4.06Å; I119-L141 HydrophobicContact CD1-CD1 4.34Å; I119-L141 HydrophobicContact CG1-CD1 4.39Å; I119-Q142 VanDerWaalsContact CG1-O 3.23Å; I119-Q142 WeakPolarHBondContact CG1-O 3.47Å; I119-Q142 PolarHBondContact N-O 2.84Å; I119-A143 HydrophobicContact CD1-CB 3.94Å; I119-A143 HydrophobicContact CG1-CB 3.77Å; I119-N146 PolarHBondContact O-ND2 2.05Å
120	N	84.3	Confident	88.2	Confident	5 Å²	5	34.9 Å²	34.9	3%	0.027	19%	0.187	C	C	.	.			trans	-56.8	156.1	175.6	58	-60.4	0	0	0	113	G96 F97 N122 Q142 D144	G96-N120 VanDerWaalsContact CA-O 3.26Å; G96-N120 WeakPolarHBondContact CA-O 3.36Å; G96-N120 WeakPolarHBondContact CA-OD1 3.21Å; F97-N120 PolarHBondContact N-O 3.46Å; N120-N122 VanDerWaalsContact C-N 3.32Å; N120-N122 PolarHBondContact O-N 3.08Å; N120-N122 PolarHBondContact O-ND2 3.04Å; N120-Q142 HydrophobicContact CB-CG 4.16Å; N120-Q142 PolarHBondContact N-O 2.77Å; N120-D144 CarbonylContact C-O 3.21Å; N120-D144 WeakPolarHBondContact CA-O 3.47Å; N120-D144 WeakPolarHBondContact CB-OD1 3.45Å; N120-D144 WeakPolarHBondContact CB-OD2 3.42Å
121	H	79.1	Confident	88.6	Confident	51 Å²	51	33.2 Å²	33.2	24%	0.236	17%	0.169	C	C	.	.	S	Bend	trans	52.3	49.4	169.6	-68	62.3	0	0	0	112.5	F97 D144 N145	F97-H121 VanDerWaalsContact CA-O 3.31Å; F97-H121 WeakPolarHBondContact CA-O 3.35Å; F97-H121 HydrophobicContact CD1-CB 3.8Å; F97-H121 HydrophobicContact CD2-CB 4.29Å; F97-H121 HydrophobicContact CE1-CB 3.83Å; F97-H121 AromaticContact CE1-CD2 3.21Å; F97-H121 WeakPolarHBondContact CE1-CD2 3.45Å; F97-H121 AromaticContact CE1-CG 3.64Å; F97-H121 AromaticContact CE1-NE2 4Å; F97-H121 HydrophobicContact CE2-CB 4.31Å; F97-H121 HydrophobicContact CG-CB 4.04Å; F97-H121 HydrophobicContact CZ-CB 4.08Å; F97-H121 AromaticContact CZ-CD2 3.44Å; F97-H121 VanDerWaalsContact CZ-CD2 3.44Å; F97-H121 WeakPolarHBondContact CZ-CD2 3.48Å; F97-H121 AromaticContact CZ-CG 3.65Å; F97-H121 AromaticContact CZ-NE2 3.86Å; F97-H121 PolarHBondContact N-O 3.14Å; H121-D144 IonicContact CE1-OD2 2.91Å; H121-D144 PolarHBondContact CE1-OD2 2.65Å; H121-D144 PolarHBondContact N-O 2.95Å; H121-D144 IonicContact ND1-OD2 2.63Å; H121-D144 PolarHBondContact ND1-OD2 3.18Å; H121-N145 VanDerWaalsContact CA-O 3.29Å; H121-N145 WeakPolarHBondContact CA-O 3.3Å; H121-N145 VanDerWaalsContact CE1-CG 3.46Å; H121-N145 PolarHBondContact CE1-OD1 3.24Å; H121-N145 WeakPolarHBondContact ND1-CB 3.38Å
122	N	86.3	Confident	88.7	Confident	6 Å²	6	33.3 Å²	33.3	3%	0.032	17%	0.17	C	C	.	.	S	Bend	trans	-123.1	-167.5	178.3	-90.6	-86.4	0	0	0	109.7	L95 N98 I100 I119 N120 N146	L95-N122 PolarHBondContact O-ND2 3Å; N98-N122 VanDerWaalsContact CB-OD1 3.3Å; N98-N122 WeakPolarHBondContact CB-OD1 3.06Å; N98-N122 PolarHBondContact O-OD1 3.18Å; N98-N122 VanDerWaalsContact O-OD1 3.14Å; I100-N122 HydrophobicContact CB-CB 4.49Å; I100-N122 VanDerWaalsContact CB-OD1 3.22Å; I100-N122 WeakPolarHBondContact CB-OD1 3.49Å; I100-N122 VanDerWaalsContact CG1-OD1 3.27Å; I100-N122 WeakPolarHBondContact CG1-OD1 3.33Å; I100-N122 PolarHBondContact N-OD1 2.96Å; I119-N122 PolarHBondContact O-ND2 3.04Å; N120-N122 VanDerWaalsContact C-N 3.32Å; N120-N122 PolarHBondContact O-N 3.08Å; N120-N122 PolarHBondContact O-ND2 3.04Å; N122-N146 WeakPolarHBondContact CA-OD1 3.37Å; N122-N146 WeakPolarHBondContact CB-OD1 3.26Å; N122-N146 PolarHBondContact N-ND2 3.32Å; N122-N146 PolarHBondContact O-OD1 2.68Å
123	S	90.6	Very high	88.9	Confident	28 Å²	28	33.3 Å²	33.3	20%	0.196	17%	0.165	C	C	.	.			trans	-114.9	26.1	-175.4	-58.8	0	0	0	0	113.8	N99 I100 E125 N146	N99-S123 PolarHBondContact ND2-OG 2.88Å; I100-S123 CarbonylContact O-C 3.54Å; I100-S123 VanDerWaalsContact O-C 3.27Å; I100-S123 VanDerWaalsContact O-CA 3.31Å; I100-S123 WeakPolarHBondContact O-CA 3.35Å; I100-S123 PolarHBondContact O-N 3.19Å; S123-E125 PolarHBondContact O-N 2.82Å; S123-N146 PolarHBondContact N-OD1 2.94Å
124	L	90.4	Very high	88.7	Confident	4 Å²	4	29.5 Å²	29.5	2%	0.021	15%	0.148	C	C	.	.			trans	-70.6	126.4	-175.2	-58.5	173.4	0	0	0	111.6	I100 I103 I119 N146 F147 I148	I100-L124 HydrophobicContact CG2-CD2 3.98Å; I100-L124 PolarHBondContact O-N 2.95Å; I103-L124 HydrophobicContact CD1-CD1 4.04Å; I103-L124 HydrophobicContact CD1-CD2 3.98Å; I103-L124 HydrophobicContact CG1-CD2 3.86Å; I119-L124 HydrophobicContact CD1-CD1 3.9Å; L124-N146 HydrophobicContact CB-CB 4.39Å; L124-N146 WeakPolarHBondContact CB-OD1 3.16Å; L124-N146 WeakPolarHBondContact CG-OD1 3.35Å; L124-N146 PolarHBondContact N-OD1 2.91Å; L124-N146 VanDerWaalsContact N-OD1 3.08Å; L124-F147 CarbonylContact O-C 3.5Å; L124-F147 VanDerWaalsContact O-CA 3.31Å; L124-F147 WeakPolarHBondContact O-CA 3.47Å; L124-F147 PolarHBondContact O-N 3.17Å; L124-I148 HydrophobicContact CB-CG1 4.16Å; L124-I148 WeakPolarHBondContact O-CG1 3.5Å; L124-I148 PolarHBondContact O-N 3.08Å
125	E	88.5	Confident	88.8	Confident	127 Å²	127	29.5 Å²	29.5	59%	0.593	15%	0.148	S	C	*	.			trans	-98.2	-27.4	179.1	-67.3	-174	-173.7	0	0	114.2	S123 F147 I148 T149	S123-E125 PolarHBondContact O-N 2.82Å; E125-F147 HydrophobicContact CG-CB 4.34Å; E125-I148 WeakPolarHBondContact O-CA 3.24Å; E125-T149 PolarHBondContact O-N 3.36Å; E125-T149 PolarHBondContact O-OG1 2.69Å
126	I	89.1	Confident	88.9	Confident	74 Å²	74	32.8 Å²	32.8	38%	0.379	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	135.5	-173.8	-58.2	176.7	0	0	0	109.7	K128 V150	I126-K128 HydrophobicContact CG2-CG 4.25Å; I126-V150 WeakPolarHBondContact CA-O 3.05Å; I126-V150 HydrophobicContact CG2-CB 4.43Å
127	L	93.7	Very high	89.4	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	109.8	165.6	-64.1	-177.7	0	0	0	109.8	F132 I148 V150 I151 E152 A155 F156 L167	L127-F132 HydrophobicContact CD1-CE2 4.21Å; L127-F132 HydrophobicContact CD1-CZ 4.42Å; L127-F132 HydrophobicContact CD2-CE2 4.15Å; L127-F132 HydrophobicContact CD2-CZ 3.99Å; L127-I148 HydrophobicContact CD1-CD1 3.97Å; L127-I148 HydrophobicContact CD1-CG2 4.46Å; L127-I148 HydrophobicContact CD2-CD1 4.13Å; L127-I148 HydrophobicContact CG-CD1 3.93Å; L127-I148 HydrophobicContact CG-CG1 4.37Å; L127-I148 HydrophobicContact CG-CG2 4.07Å; L127-V150 PolarHBondContact N-O 3.43Å; L127-I151 HydrophobicContact CB-CG1 4.23Å; L127-I151 HydrophobicContact CB-CG2 4.29Å; L127-I151 HydrophobicContact CD1-CD1 4.06Å; L127-I151 HydrophobicContact CD1-CG1 4.15Å; L127-I151 HydrophobicContact CG-CG1 4.46Å; L127-E152 PolarHBondContact O-N 3.26Å; L127-A155 HydrophobicContact CB-CB 4.49Å; L127-F156 HydrophobicContact CD1-CE1 4.02Å; L127-F156 HydrophobicContact CD1-CZ 3.84Å; L127-L167 HydrophobicContact CD1-CD2 4.43Å
128	K	92.5	Very high	89.5	Confident	55 Å²	55	34.6 Å²	34.6	24%	0.239	17%	0.174	C	C	.	.			trans	-81.3	164	-173.7	-57.1	168.1	-179.3	161.5	0	112.1	D102 I126 T131 E152 A155	D102-K128 WeakPolarHBondContact OD1-CE 3Å; D102-K128 IonicContact OD1-NZ 3.17Å; D102-K128 PolarHBondContact OD1-NZ 3.5Å; D102-K128 IonicContact OD2-NZ 3.72Å; D102-K128 PolarHBondContact OD2-NZ 3.4Å; I126-K128 HydrophobicContact CG2-CG 4.25Å; K128-T131 WeakPolarHBondContact CB-OG1 3.26Å; K128-T131 PolarHBondContact N-OG1 3.48Å; K128-T131 PolarHBondContact O-N 3.49Å; K128-T131 PolarHBondContact O-OG1 3.09Å; K128-E152 WeakPolarHBondContact CA-OE2 2.88Å; K128-A155 WeakPolarHBondContact O-CB 3.39Å
129	E	89.9	Confident	89.5	Confident	86 Å²	86	35 Å²	35	40%	0.402	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	138.7	168.3	-59	-152.6	129.4	0	0	111	T131 E152 S154	E129-T131 PolarHBondContact O-N 3.44Å; E129-E152 HydrophobicContact CG-CB 3.5Å; E129-E152 HydrophobicContact CG-CG 4.49Å; E129-E152 PolarHBondContact N-OE2 2.81Å; E129-S154 WeakPolarHBondContact OE1-CB 3.32Å; E129-S154 PolarHBondContact OE1-N 3.16Å; E129-S154 PolarHBondContact OE1-OG 2.98Å
130	D	86.3	Confident	89.2	Confident	50 Å²	50	34.9 Å²	34.9	27%	0.267	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	17.6	-179.4	-69.2	-8	0	0	0	116	F132 N133 K158	D130-F132 VanDerWaalsContact C-N 3.27Å; D130-F132 PolarHBondContact O-N 2.81Å; D130-N133 HydrophobicContact CB-CB 4.12Å; D130-N133 WeakPolarHBondContact O-CB 3.26Å; D130-N133 PolarHBondContact O-N 3.5Å; D130-N133 VanDerWaalsContact O-N 3.08Å; D130-K158 VanDerWaalsContact CG-CE 3.45Å; D130-K158 WeakPolarHBondContact OD1-CE 3.43Å; D130-K158 IonicContact OD1-NZ 3.32Å; D130-K158 PolarHBondContact OD1-NZ 3.05Å; D130-K158 IonicContact OD2-NZ 3.45Å; D130-K158 PolarHBondContact OD2-NZ 3.29Å
131	T	90.4	Very high	89.6	Confident	3 Å²	3	34.7 Å²	34.7	2%	0.018	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-45.1	170	-73.2	0	0	0	0	111.8	I103 F108 K128 E129 N133	I103-T131 HydrophobicContact CB-CG2 4.1Å; I103-T131 HydrophobicContact CG2-CG2 3.88Å; F108-T131 WeakPolarHBondContact CD2-O 3.47Å; K128-T131 WeakPolarHBondContact CB-OG1 3.26Å; K128-T131 PolarHBondContact N-OG1 3.48Å; K128-T131 PolarHBondContact O-N 3.49Å; K128-T131 PolarHBondContact O-OG1 3.09Å; E129-T131 PolarHBondContact O-N 3.44Å; T131-N133 VanDerWaalsContact C-N 3.31Å; T131-N133 PolarHBondContact O-N 3.06Å
132	F	93.4	Very high	89.9	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.009	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	22.7	-178.9	-55.5	-77.3	0	0	0	113.6	F108 L117 I119 L127 D130 L135 L141 F156 L159	F108-F132 HydrophobicContact CD2-CD1 4.4Å; F108-F132 HydrophobicContact CE2-CD1 4.1Å; F108-F132 HydrophobicContact CE2-CE1 4.35Å; L117-F132 HydrophobicContact CD2-CD1 4.05Å; L117-F132 HydrophobicContact CD2-CE1 4.03Å; I119-F132 HydrophobicContact CD1-CE1 3.98Å; I119-F132 HydrophobicContact CD1-CZ 4.06Å; L127-F132 HydrophobicContact CD1-CE2 4.21Å; L127-F132 HydrophobicContact CD1-CZ 4.42Å; L127-F132 HydrophobicContact CD2-CE2 4.15Å; L127-F132 HydrophobicContact CD2-CZ 3.99Å; D130-F132 VanDerWaalsContact C-N 3.27Å; D130-F132 PolarHBondContact O-N 2.81Å; F132-L135 HydrophobicContact CB-CD1 4.17Å; F132-L135 HydrophobicContact CD1-CD1 4.06Å; F132-L135 WeakPolarHBondContact O-CB 3.42Å; F132-L135 PolarHBondContact O-N 2.78Å; F132-L141 HydrophobicContact CD1-CD2 4.36Å; F132-L141 HydrophobicContact CE1-CD1 3.97Å; F132-L141 HydrophobicContact CE1-CD2 3.98Å; F132-L141 HydrophobicContact CE2-CD2 4.27Å; F132-L141 HydrophobicContact CZ-CD1 4.47Å; F132-L141 HydrophobicContact CZ-CD2 3.93Å; F132-F156 AromaticContact CD2-CD1 3.96Å; F132-F156 HydrophobicContact CD2-CD1 3.96Å; F132-F156 HydrophobicContact CD2-CE1 4.11Å; F132-F156 AromaticContact CE2-CD1 4Å; F132-F156 HydrophobicContact CE2-CD1 4Å; F132-F156 AromaticContact CE2-CE1 3.65Å; F132-F156 HydrophobicContact CE2-CE1 3.65Å; F132-F156 HydrophobicContact CZ-CE1 4.44Å; F132-L159 HydrophobicContact CB-CD1 4.09Å; F132-L159 HydrophobicContact CB-CD2 3.91Å; F132-L159 HydrophobicContact CB-CG 4.26Å; F132-L159 HydrophobicContact CD2-CD1 4.43Å; F132-L159 HydrophobicContact CG-CD1 4.27Å
133	N	90.8	Very high	90.2	Very high	55 Å²	55	32.5 Å²	32.5	29%	0.294	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	144	176.1	-169	25.6	0	0	0	111.5	D130 T131	D130-N133 HydrophobicContact CB-CB 4.12Å; D130-N133 WeakPolarHBondContact O-CB 3.26Å; D130-N133 PolarHBondContact O-N 3.5Å; D130-N133 VanDerWaalsContact O-N 3.08Å; T131-N133 VanDerWaalsContact C-N 3.31Å; T131-N133 PolarHBondContact O-N 3.06Å
134	G	87.3	Confident	89.7	Confident	12 Å²	12	31.6 Å²	31.6	12%	0.124	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	90	-16.1	-171.1	0	0	0	0	0	115.2	S112 E136	S112-G134 WeakPolarHBondContact CA-O 3.24Å; G134-E136 VanDerWaalsContact C-N 3.33Å; G134-E136 PolarHBondContact O-N 2.87Å
135	L	93.4	Very high	89.1	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.			trans	-90.5	48.7	-175.6	-62.1	-177.4	0	0	0	113.7	F108 L111 L114 L117 F132 N137 L138 L159	F108-L135 HydrophobicContact CB-CD1 3.96Å; F108-L135 HydrophobicContact CB-CD2 3.88Å; F108-L135 HydrophobicContact CB-CG 3.78Å; F108-L135 HydrophobicContact CD2-CD1 3.86Å; F108-L135 HydrophobicContact CG-CD1 3.9Å; F108-L135 HydrophobicContact CG-CD2 4.47Å; F108-L135 HydrophobicContact CG-CG 4.29Å; L111-L135 HydrophobicContact CB-CD2 3.62Å; L111-L135 HydrophobicContact CD1-CD2 4.34Å; L114-L135 HydrophobicContact CB-CD2 3.97Å; L114-L135 HydrophobicContact CD2-CD2 3.6Å; L114-L135 HydrophobicContact CG-CD2 4.41Å; L117-L135 HydrophobicContact CD2-CD1 3.75Å; F132-L135 HydrophobicContact CB-CD1 4.17Å; F132-L135 HydrophobicContact CD1-CD1 4.06Å; F132-L135 WeakPolarHBondContact O-CB 3.42Å; F132-L135 PolarHBondContact O-N 2.78Å; L135-N137 VanDerWaalsContact C-N 3.3Å; L135-N137 PolarHBondContact O-N 3.2Å; L135-L138 HydrophobicContact CB-CB 4.02Å; L135-L138 HydrophobicContact CB-CD2 4.44Å; L135-L138 HydrophobicContact CD1-CD2 4.17Å; L135-L138 WeakPolarHBondContact O-CB 3.29Å; L135-L138 PolarHBondContact O-N 3.03Å; L135-L138 VanDerWaalsContact O-N 3.16Å; L135-L159 HydrophobicContact CB-CD2 3.87Å; L135-L159 WeakPolarHBondContact O-CD2 3.15Å
136	E	88.9	Confident	89	Confident	115 Å²	115	27.1 Å²	27.1	54%	0.537	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-27.3	-170.2	-63.5	-176	-177	0	0	115	G134	G134-E136 VanDerWaalsContact C-N 3.33Å; G134-E136 PolarHBondContact O-N 2.87Å
137	N	91.7	Very high	89	Confident	47 Å²	47	29.6 Å²	29.6	25%	0.251	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	17.9	177.4	-64.3	-70.6	0	0	0	113.3	S112 L114 L135 E139 R161	S112-N137 PolarHBondContact O-ND2 2.81Å; L114-N137 CarbonylContact O-C 3.56Å; L114-N137 VanDerWaalsContact O-C 3.29Å; L135-N137 VanDerWaalsContact C-N 3.3Å; L135-N137 PolarHBondContact O-N 3.2Å; N137-E139 WeakPolarHBondContact O-CG 3.35Å; N137-E139 PolarHBondContact O-N 3.23Å; N137-R161 VanDerWaalsContact OD1-CZ 3.26Å; N137-R161 PolarHBondContact OD1-NE 3.32Å; N137-R161 PolarHBondContact OD1-NH2 2.96Å
138	L	94.8	Very high	88.9	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.			trans	-71.3	128.5	175	-169	79.2	0	0	0	110.4	L114 L117 L135 L141 L159 R161 L162	L114-L138 HydrophobicContact CD2-CD1 4.11Å; L114-L138 HydrophobicContact CG-CD1 4.32Å; L114-L138 VanDerWaalsContact O-CA 3.27Å; L114-L138 WeakPolarHBondContact O-CA 3.33Å; L114-L138 PolarHBondContact O-N 3.4Å; L117-L138 HydrophobicContact CB-CD1 3.77Å; L117-L138 HydrophobicContact CB-CD2 4.38Å; L135-L138 HydrophobicContact CB-CB 4.02Å; L135-L138 HydrophobicContact CB-CD2 4.44Å; L135-L138 HydrophobicContact CD1-CD2 4.17Å; L135-L138 WeakPolarHBondContact O-CB 3.29Å; L135-L138 PolarHBondContact O-N 3.03Å; L135-L138 VanDerWaalsContact O-N 3.16Å; L138-L141 HydrophobicContact CD2-CB 4.08Å; L138-L141 HydrophobicContact CD2-CD1 4.44Å; L138-L159 HydrophobicContact CB-CD2 4.2Å; L138-L159 HydrophobicContact CD2-CD1 4.29Å; L138-L159 HydrophobicContact CD2-CD2 4.01Å; L138-R161 CarbonylContact O-C 3.09Å; L138-R161 VanDerWaalsContact O-C 3.29Å; L138-L162 HydrophobicContact CD2-CD1 4.28Å; L138-L162 HydrophobicContact CG-CD1 4.4Å; L138-L162 WeakPolarHBondContact O-CA 3.06Å; L138-L162 PolarHBondContact O-N 3.4Å
139	E	86.3	Confident	88.8	Confident	10 Å²	10	29.6 Å²	29.6	5%	0.047	15%	0.151	C	C	.	.			trans	-120.9	-23.4	-175.1	-55.2	-166.4	67.7	0	0	112.3	K115 N137 R161 K163 V164 L836	K115-E139 WeakPolarHBondContact CE-OE2 3.25Å; K115-E139 PolarHBondContact O-N 3.36Å; K115-E139 VanDerWaalsContact O-N 3.08Å; N137-E139 WeakPolarHBondContact O-CG 3.35Å; N137-E139 PolarHBondContact O-N 3.23Å; E139-R161 WeakPolarHBondContact CA-O 3.46Å; E139-R161 HydrophobicContact CG-CB 3.85Å; E139-K163 PolarHBondContact O-N 2.86Å; E139-K163 WeakPolarHBondContact OE1-CE 3.18Å; E139-K163 IonicContact OE1-NZ 3.18Å; E139-K163 PolarHBondContact OE1-NZ 3.22Å; E139-V164 PolarHBondContact O-N 2.02Å; E139-L836 HydrophobicContact CB-CD1 3.58Å; E139-L836 HydrophobicContact CB-CD2 3.69Å; E139-L836 HydrophobicContact CB-CG 3.32Å; E139-L836 HydrophobicContact CG-CD2 4.06Å; E139-L836 HydrophobicContact CG-CG 3.88Å
140	F	85.4	Confident	88.8	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.9	173.6	177.5	-91.7	0	0	0	111.6	K115 L117 H118 Q142 V164 I166 Y832 L836	K115-F140 PolarHBondContact O-N 3.28Å; L117-F140 PolarHBondContact N-O 2.64Å; L117-F140 VanDerWaalsContact N-O 3.15Å; H118-F140 AromaticContact CE1-CD1 4Å; H118-F140 AromaticContact CE1-CE1 3.34Å; H118-F140 WeakPolarHBondContact CE1-CE1 3.4Å; H118-F140 AromaticContact ND1-CE1 3.64Å; H118-F140 AromaticContact NE2-CD1 3.99Å; H118-F140 AromaticContact NE2-CE1 3.78Å; F140-Q142 HydrophobicContact CE1-CB 3.48Å; F140-Q142 VanDerWaalsContact CE1-CB 3.48Å; F140-Q142 HydrophobicContact CZ-CB 3.55Å; F140-Q142 HydrophobicContact CZ-CG 4.36Å; F140-V164 HydrophobicContact CD2-CB 3.67Å; F140-V164 HydrophobicContact CD2-CG1 3.63Å; F140-V164 HydrophobicContact CD2-CG2 4.39Å; F140-V164 HydrophobicContact CE2-CB 4.19Å; F140-V164 HydrophobicContact CE2-CG1 3.6Å; F140-I166 HydrophobicContact CE2-CD1 3.79Å; F140-I166 HydrophobicContact CE2-CG1 4.32Å; F140-I166 HydrophobicContact CZ-CD1 3.85Å; F140-Y832 HydrophobicContact CD2-CG 4.3Å; F140-Y832 HydrophobicContact CE1-CD2 4.23Å; F140-Y832 HydrophobicContact CE1-CG 4.45Å; F140-Y832 AromaticContact CE2-CD1 3.9Å; F140-Y832 HydrophobicContact CE2-CD1 3.9Å; F140-Y832 AromaticContact CE2-CD2 3.88Å; F140-Y832 HydrophobicContact CE2-CD2 3.88Å; F140-Y832 AromaticContact CE2-CG 3.4Å; F140-Y832 HydrophobicContact CE2-CG 3.4Å; F140-Y832 VanDerWaalsContact CZ-CB 3.41Å; F140-Y832 HydrophobicContact CZ-CD1 4.24Å; F140-Y832 AromaticContact CZ-CD2 3.41Å; F140-Y832 HydrophobicContact CZ-CD2 3.41Å; F140-Y832 VanDerWaalsContact CZ-CD2 3.41Å; F140-Y832 HydrophobicContact CZ-CE2 4.14Å; F140-Y832 AromaticContact CZ-CG 3.46Å; F140-Y832 HydrophobicContact CZ-CG 3.46Å; F140-Y832 VanDerWaalsContact CZ-CG 3.46Å; F140-L836 HydrophobicContact CB-CD1 4.14Å
141	L	94	Very high	89.3	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	125.1	174.4	178	57.3	0	0	0	111.1	L117 I119 F132 L138 F156 L159 L162 V164 L165 I166	L117-L141 HydrophobicContact CB-CD1 3.98Å; L117-L141 HydrophobicContact CD2-CD1 3.94Å; L117-L141 HydrophobicContact CG-CD1 3.96Å; I119-L141 HydrophobicContact CD1-CD1 4.34Å; I119-L141 HydrophobicContact CG1-CD1 4.39Å; F132-L141 HydrophobicContact CD1-CD2 4.36Å; F132-L141 HydrophobicContact CE1-CD1 3.97Å; F132-L141 HydrophobicContact CE1-CD2 3.98Å; F132-L141 HydrophobicContact CE2-CD2 4.27Å; F132-L141 HydrophobicContact CZ-CD1 4.47Å; F132-L141 HydrophobicContact CZ-CD2 3.93Å; L138-L141 HydrophobicContact CD2-CB 4.08Å; L138-L141 HydrophobicContact CD2-CD1 4.44Å; L141-F156 HydrophobicContact CD2-CD1 4.37Å; L141-F156 HydrophobicContact CD2-CE1 4Å; L141-L159 HydrophobicContact CD2-CD1 4.12Å; L141-L162 HydrophobicContact CB-CD1 3.64Å; L141-L162 HydrophobicContact CB-CD2 4.46Å; L141-V164 PolarHBondContact N-O 3.31Å; L141-V164 VanDerWaalsContact N-O 3.11Å; L141-L165 HydrophobicContact CB-CD1 4.18Å; L141-L165 HydrophobicContact CD2-CD1 3.96Å; L141-L165 HydrophobicContact CG-CD1 4.05Å; L141-I166 PolarHBondContact O-N 3.02Å
142	Q	85.4	Confident	89.4	Confident	10 Å²	10	29.1 Å²	29.1	5%	0.047	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	122.2	178.2	179.9	-177.5	-7.2	0	0	111.5	L117 H118 I119 N120 F140 D144 I166	L117-Q142 PolarHBondContact O-N 3.2Å; H118-Q142 PolarHBondContact ND1-OE1 3.22Å; I119-Q142 VanDerWaalsContact CG1-O 3.23Å; I119-Q142 WeakPolarHBondContact CG1-O 3.47Å; I119-Q142 PolarHBondContact N-O 2.84Å; N120-Q142 HydrophobicContact CB-CG 4.16Å; N120-Q142 PolarHBondContact N-O 2.77Å; F140-Q142 HydrophobicContact CE1-CB 3.48Å; F140-Q142 VanDerWaalsContact CE1-CB 3.48Å; F140-Q142 HydrophobicContact CZ-CB 3.55Å; F140-Q142 HydrophobicContact CZ-CG 4.36Å; Q142-D144 VanDerWaalsContact CD-OD1 3.27Å; Q142-D144 WeakPolarHBondContact CG-OD1 3.4Å; Q142-D144 PolarHBondContact NE2-OD1 3.35Å; Q142-I166 HydrophobicContact CB-CB 4.41Å; Q142-I166 HydrophobicContact CG-CB 4.25Å; Q142-I166 HydrophobicContact CG-CG2 4.33Å
143	A	91.2	Very high	89.1	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.008	17%	0.169	C	C	.	.			trans	-141.2	32.9	-177.5	0	0	0	0	0	112.4	I119 I148 I166 L167 N170	I119-A143 HydrophobicContact CD1-CB 3.94Å; I119-A143 HydrophobicContact CG1-CB 3.77Å; A143-I148 HydrophobicContact CB-CD1 4.35Å; A143-I166 PolarHBondContact N-O 3.24Å; A143-L167 HydrophobicContact CB-CD2 4.03Å; A143-N170 PolarHBondContact O-ND2 3.17Å
144	D	80.9	Confident	89.1	Confident	8 Å²	8	30.8 Å²	30.8	4%	0.043	17%	0.169	C	C	.	.			trans	-63.2	163.8	173.7	58.7	-84.8	0	0	0	113.5	N120 H121 Q142 N146 I166 N168	N120-D144 CarbonylContact C-O 3.21Å; N120-D144 WeakPolarHBondContact CA-O 3.47Å; N120-D144 WeakPolarHBondContact CB-OD1 3.45Å; N120-D144 WeakPolarHBondContact CB-OD2 3.42Å; H121-D144 IonicContact CE1-OD2 2.91Å; H121-D144 PolarHBondContact CE1-OD2 2.65Å; H121-D144 PolarHBondContact N-O 2.95Å; H121-D144 IonicContact ND1-OD2 2.63Å; H121-D144 PolarHBondContact ND1-OD2 3.18Å; Q142-D144 VanDerWaalsContact CD-OD1 3.27Å; Q142-D144 WeakPolarHBondContact CG-OD1 3.4Å; Q142-D144 PolarHBondContact NE2-OD1 3.35Å; D144-N146 VanDerWaalsContact C-N 3.25Å; D144-N146 PolarHBondContact O-N 2.87Å; D144-N146 PolarHBondContact O-ND2 3.09Å; D144-I166 HydrophobicContact CB-CG2 4.27Å; D144-N168 VanDerWaalsContact CA-O 3.27Å; D144-N168 WeakPolarHBondContact CA-O 3.26Å; D144-N168 WeakPolarHBondContact CB-OD1 3.28Å
145	N	78	Confident	89.3	Confident	33 Å²	33	30.2 Å²	30.2	18%	0.176	16%	0.163	C	C	.	.	S	Bend	trans	49.5	47.6	172.5	-70.5	88.7	0	0	0	112.4	H121 N168 D169	H121-N145 VanDerWaalsContact CA-O 3.29Å; H121-N145 WeakPolarHBondContact CA-O 3.3Å; H121-N145 VanDerWaalsContact CE1-CG 3.46Å; H121-N145 PolarHBondContact CE1-OD1 3.24Å; H121-N145 WeakPolarHBondContact ND1-CB 3.38Å; N145-N168 PolarHBondContact N-O 3.12Å; N145-D169 WeakPolarHBondContact CA-O 3.25Å
146	N	85.2	Confident	89.3	Confident	4 Å²	4	30.2 Å²	30.2	2%	0.021	16%	0.163	C	C	.	.	S	Bend	trans	-118.6	-177.8	170.9	-86.3	-96.7	0	0	0	108.6	I119 N122 S123 L124 D144 I148 N170	I119-N146 PolarHBondContact O-ND2 2.05Å; N122-N146 WeakPolarHBondContact CA-OD1 3.37Å; N122-N146 WeakPolarHBondContact CB-OD1 3.26Å; N122-N146 PolarHBondContact N-ND2 3.32Å; N122-N146 PolarHBondContact O-OD1 2.68Å; S123-N146 PolarHBondContact N-OD1 2.94Å; L124-N146 HydrophobicContact CB-CB 4.39Å; L124-N146 WeakPolarHBondContact CB-OD1 3.16Å; L124-N146 WeakPolarHBondContact CG-OD1 3.35Å; L124-N146 PolarHBondContact N-OD1 2.91Å; L124-N146 VanDerWaalsContact N-OD1 3.08Å; D144-N146 VanDerWaalsContact C-N 3.25Å; D144-N146 PolarHBondContact O-N 2.87Å; D144-N146 PolarHBondContact O-ND2 3.09Å; N146-I148 HydrophobicContact CB-CD1 4.14Å; N146-I148 HydrophobicContact CB-CG1 4.03Å; N146-N170 WeakPolarHBondContact CA-OD1 3.46Å; N146-N170 WeakPolarHBondContact CB-OD1 3.38Å; N146-N170 PolarHBondContact O-OD1 3.23Å
147	F	89.3	Confident	89.3	Confident	126 Å²	126	26.4 Å²	26.4	55%	0.553	15%	0.149	S	C	*	.			trans	-104.5	26	-179.7	-55.4	-60.2	0	0	0	112.6	L124 E125 T149	L124-F147 CarbonylContact O-C 3.5Å; L124-F147 VanDerWaalsContact O-CA 3.31Å; L124-F147 WeakPolarHBondContact O-CA 3.47Å; L124-F147 PolarHBondContact O-N 3.17Å; E125-F147 HydrophobicContact CG-CB 4.34Å; F147-T149 PolarHBondContact O-N 3.33Å
148	I	92.8	Very high	89.2	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.152	C	C	.	.			trans	-65.1	113.2	-169.2	-58.8	164	0	0	0	109.6	L124 E125 L127 A143 N146 I151 L167 N170 A171 I172	L124-I148 HydrophobicContact CB-CG1 4.16Å; L124-I148 WeakPolarHBondContact O-CG1 3.5Å; L124-I148 PolarHBondContact O-N 3.08Å; E125-I148 WeakPolarHBondContact O-CA 3.24Å; L127-I148 HydrophobicContact CD1-CD1 3.97Å; L127-I148 HydrophobicContact CD1-CG2 4.46Å; L127-I148 HydrophobicContact CD2-CD1 4.13Å; L127-I148 HydrophobicContact CG-CD1 3.93Å; L127-I148 HydrophobicContact CG-CG1 4.37Å; L127-I148 HydrophobicContact CG-CG2 4.07Å; A143-I148 HydrophobicContact CB-CD1 4.35Å; N146-I148 HydrophobicContact CB-CD1 4.14Å; N146-I148 HydrophobicContact CB-CG1 4.03Å; I148-I151 HydrophobicContact CG2-CD1 4.47Å; I148-I151 HydrophobicContact CG2-CG1 3.91Å; I148-L167 HydrophobicContact CD1-CD2 4.39Å; I148-N170 HydrophobicContact CB-CB 4.39Å; I148-N170 VanDerWaalsContact CB-OD1 3.24Å; I148-N170 WeakPolarHBondContact CB-OD1 3.33Å; I148-N170 WeakPolarHBondContact CD1-OD1 3.49Å; I148-N170 VanDerWaalsContact CG1-OD1 3.27Å; I148-N170 WeakPolarHBondContact CG1-OD1 3.41Å; I148-N170 PolarHBondContact N-OD1 2.88Å; I148-A171 CarbonylContact O-C 3.27Å; I148-A171 VanDerWaalsContact O-CA 3.24Å; I148-A171 WeakPolarHBondContact O-CA 3.47Å; I148-A171 WeakPolarHBondContact O-CB 3.48Å; I148-A171 PolarHBondContact O-N 3.13Å; I148-I172 HydrophobicContact CB-CG1 4.42Å; I148-I172 HydrophobicContact CG2-CG1 4.12Å; I148-I172 WeakPolarHBondContact O-CG1 3.16Å; I148-I172 PolarHBondContact O-N 3.04Å
149	T	89.5	Confident	89.1	Confident	59 Å²	59	27.6 Å²	27.6	36%	0.362	15%	0.152	S	C	.	.			trans	-96.8	-37.3	178.4	52.9	0	0	0	0	112.2	E125 F147 A171	E125-T149 PolarHBondContact O-N 3.36Å; E125-T149 PolarHBondContact O-OG1 2.69Å; F147-T149 PolarHBondContact O-N 3.33Å; T149-A171 HydrophobicContact CG2-CB 3.69Å
150	V	91	Very high	89.3	Confident	45 Å²	45	31.4 Å²	31.4	27%	0.273	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	136.4	-173.9	-179.8	0	0	0	0	110	I126 L127	I126-V150 WeakPolarHBondContact CA-O 3.05Å; I126-V150 HydrophobicContact CG2-CB 4.43Å; L127-V150 PolarHBondContact N-O 3.43Å
151	I	95.1	Very high	89.6	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.015	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.5	168	-57.8	-175.4	0	0	0	106.6	L127 I148 A155 F156 L167 I172 L175 P176 I179	L127-I151 HydrophobicContact CB-CG1 4.23Å; L127-I151 HydrophobicContact CB-CG2 4.29Å; L127-I151 HydrophobicContact CD1-CD1 4.06Å; L127-I151 HydrophobicContact CD1-CG1 4.15Å; L127-I151 HydrophobicContact CG-CG1 4.46Å; I148-I151 HydrophobicContact CG2-CD1 4.47Å; I148-I151 HydrophobicContact CG2-CG1 3.91Å; I151-A155 HydrophobicContact CG2-CB 3.83Å; I151-F156 HydrophobicContact CD1-CE2 4.21Å; I151-F156 HydrophobicContact CD1-CZ 4.14Å; I151-F156 HydrophobicContact CG2-CE2 4.07Å; I151-F156 HydrophobicContact CG2-CZ 4.3Å; I151-L167 HydrophobicContact CD1-CD1 4.06Å; I151-I172 HydrophobicContact CD1-CD1 3.76Å; I151-I172 HydrophobicContact CD1-CG1 4.41Å; I151-I172 HydrophobicContact CG1-CD1 4.49Å; I151-L175 HydrophobicContact CD1-CD2 3.94Å; I151-P176 WeakPolarHBondContact O-CD 3.07Å; I151-P176 WeakPolarHBondContact O-CG 3.36Å; I151-I179 HydrophobicContact CG2-CD1 4.18Å
152	E	93.1	Very high	89.6	Confident	81 Å²	81	36.7 Å²	36.7	38%	0.379	19%	0.193	S	C	.	.			trans	-79.1	154.5	-179.9	-60.4	-171.3	141.1	0	0	111.8	L127 K128 E129 S154 A155 I179	L127-E152 PolarHBondContact O-N 3.26Å; K128-E152 WeakPolarHBondContact CA-OE2 2.88Å; E129-E152 HydrophobicContact CG-CB 3.5Å; E129-E152 HydrophobicContact CG-CG 4.49Å; E129-E152 PolarHBondContact N-OE2 2.81Å; E152-S154 PolarHBondContact O-N 3.27Å; E152-S154 VanDerWaalsContact O-N 3.08Å; E152-A155 WeakPolarHBondContact O-CB 3.49Å; E152-A155 PolarHBondContact O-N 3.11Å; E152-I179 WeakPolarHBondContact O-CD1 3.36Å
153	A	87.8	Confident	89.6	Confident	50 Å²	50	37.1 Å²	37.1	41%	0.413	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-28	-162.9	0	0	0	0	0	114.8	P176 I179	A153-P176 HydrophobicContact CB-CB 4.07Å; A153-P176 HydrophobicContact CB-CG 4.42Å; A153-I179 WeakPolarHBondContact O-CD1 3.49Å
154	S	89.7	Confident	89.2	Confident	41 Å²	41	37.6 Å²	37.6	29%	0.287	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	3.2	-179.8	-47.8	0	0	0	0	114.6	E129 E152 F156 S157	E129-S154 WeakPolarHBondContact OE1-CB 3.32Å; E129-S154 PolarHBondContact OE1-N 3.16Å; E129-S154 PolarHBondContact OE1-OG 2.98Å; E152-S154 PolarHBondContact O-N 3.27Å; E152-S154 VanDerWaalsContact O-N 3.08Å; S154-F156 PolarHBondContact O-N 3.32Å; S154-S157 WeakPolarHBondContact O-CB 3.39Å; S154-S157 PolarHBondContact O-N 3.24Å; S154-S157 PolarHBondContact O-OG 2.84Å
155	A	92.6	Very high	89.8	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.008	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-43.6	-169.7	0	0	0	0	0	114.5	L127 K128 I151 E152 I179	L127-A155 HydrophobicContact CB-CB 4.49Å; K128-A155 WeakPolarHBondContact O-CB 3.39Å; I151-A155 HydrophobicContact CG2-CB 3.83Å; E152-A155 WeakPolarHBondContact O-CB 3.49Å; E152-A155 PolarHBondContact O-N 3.11Å; A155-I179 HydrophobicContact CB-CD1 4.43Å
156	F	93.4	Very high	90.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	6.6	177.7	-52.7	-47.1	0	0	0	113.8	L127 F132 L141 I151 S154 K158 L159 L165 L167 I179 F180 V183	L127-F156 HydrophobicContact CD1-CE1 4.02Å; L127-F156 HydrophobicContact CD1-CZ 3.84Å; F132-F156 AromaticContact CD2-CD1 3.96Å; F132-F156 HydrophobicContact CD2-CD1 3.96Å; F132-F156 HydrophobicContact CD2-CE1 4.11Å; F132-F156 AromaticContact CE2-CD1 4Å; F132-F156 HydrophobicContact CE2-CD1 4Å; F132-F156 AromaticContact CE2-CE1 3.65Å; F132-F156 HydrophobicContact CE2-CE1 3.65Å; F132-F156 HydrophobicContact CZ-CE1 4.44Å; L141-F156 HydrophobicContact CD2-CD1 4.37Å; L141-F156 HydrophobicContact CD2-CE1 4Å; I151-F156 HydrophobicContact CD1-CE2 4.21Å; I151-F156 HydrophobicContact CD1-CZ 4.14Å; I151-F156 HydrophobicContact CG2-CE2 4.07Å; I151-F156 HydrophobicContact CG2-CZ 4.3Å; S154-F156 PolarHBondContact O-N 3.32Å; F156-K158 PolarHBondContact O-N 3.32Å; F156-L159 HydrophobicContact CB-CD1 4.15Å; F156-L159 HydrophobicContact CD1-CD1 3.82Å; F156-L159 HydrophobicContact CG-CD1 4.4Å; F156-L159 WeakPolarHBondContact O-CB 3.24Å; F156-L159 PolarHBondContact O-N 3.49Å; F156-L165 HydrophobicContact CD2-CD2 4.15Å; F156-L165 HydrophobicContact CE2-CD2 3.77Å; F156-L165 HydrophobicContact CZ-CD1 4.31Å; F156-L165 HydrophobicContact CZ-CD2 4.06Å; F156-L167 HydrophobicContact CE2-CD1 4.43Å; F156-L167 HydrophobicContact CZ-CD1 4.26Å; F156-I179 HydrophobicContact CB-CD1 4.48Å; F156-I179 HydrophobicContact CD2-CD1 3.92Å; F156-I179 HydrophobicContact CD2-CG1 3.76Å; F156-I179 HydrophobicContact CE2-CG1 4.31Å; F156-I179 HydrophobicContact CG-CD1 4.47Å; F156-F180 HydrophobicContact CD2-CD1 4.35Å; F156-F180 AromaticContact CD2-CE1 3.71Å; F156-F180 HydrophobicContact CD2-CE1 3.71Å; F156-F180 HydrophobicContact CE2-CE1 4.08Å; F156-V183 HydrophobicContact CB-CG2 4.25Å
157	S	89.2	Confident	90.4	Very high	34 Å²	34	36 Å²	36	24%	0.238	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.9	-168.2	68.6	0	0	0	0	115.8	S154	S154-S157 WeakPolarHBondContact O-CB 3.39Å; S154-S157 PolarHBondContact O-N 3.24Å; S154-S157 PolarHBondContact O-OG 2.84Å
158	K	88.6	Confident	90.1	Very high	72 Å²	72	30.8 Å²	30.8	31%	0.313	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-10.5	176.8	-44.3	-58.1	173.6	-178.9	0	113.5	D130 F156 N160	D130-K158 VanDerWaalsContact CG-CE 3.45Å; D130-K158 WeakPolarHBondContact OD1-CE 3.43Å; D130-K158 IonicContact OD1-NZ 3.32Å; D130-K158 PolarHBondContact OD1-NZ 3.05Å; D130-K158 IonicContact OD2-NZ 3.45Å; D130-K158 PolarHBondContact OD2-NZ 3.29Å; F156-K158 PolarHBondContact O-N 3.32Å; K158-N160 PolarHBondContact O-N 3.38Å; K158-N160 PolarHBondContact O-ND2 3.05Å
159	L	92.9	Very high	89.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.			trans	-84.9	57.6	-169.4	-56.8	-176	0	0	0	111.4	F132 L135 L138 L141 F156 R161 L162	F132-L159 HydrophobicContact CB-CD1 4.09Å; F132-L159 HydrophobicContact CB-CD2 3.91Å; F132-L159 HydrophobicContact CB-CG 4.26Å; F132-L159 HydrophobicContact CD2-CD1 4.43Å; F132-L159 HydrophobicContact CG-CD1 4.27Å; L135-L159 HydrophobicContact CB-CD2 3.87Å; L135-L159 WeakPolarHBondContact O-CD2 3.15Å; L138-L159 HydrophobicContact CB-CD2 4.2Å; L138-L159 HydrophobicContact CD2-CD1 4.29Å; L138-L159 HydrophobicContact CD2-CD2 4.01Å; L141-L159 HydrophobicContact CD2-CD1 4.12Å; F156-L159 HydrophobicContact CB-CD1 4.15Å; F156-L159 HydrophobicContact CD1-CD1 3.82Å; F156-L159 HydrophobicContact CG-CD1 4.4Å; F156-L159 WeakPolarHBondContact O-CB 3.24Å; F156-L159 PolarHBondContact O-N 3.49Å; L159-R161 PolarHBondContact O-N 2.89Å; L159-L162 HydrophobicContact CB-CB 3.95Å; L159-L162 HydrophobicContact CB-CD2 4.42Å; L159-L162 HydrophobicContact CD1-CD2 4.03Å; L159-L162 WeakPolarHBondContact O-CB 3.43Å; L159-L162 PolarHBondContact O-N 3.34Å
160	N	90.9	Very high	89.5	Confident	90 Å²	90	31.1 Å²	31.1	48%	0.481	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-10.7	-169.6	-62.2	-62.2	0	0	0	114.7	K158 P184	K158-N160 PolarHBondContact O-N 3.38Å; K158-N160 PolarHBondContact O-ND2 3.05Å; N160-P184 WeakPolarHBondContact O-CD 3.49Å; N160-P184 WeakPolarHBondContact O-CG 3.17Å
161	R	91.4	Very high	89.5	Confident	113 Å²	113	30.3 Å²	30.3	43%	0.426	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	4	176.7	-57.4	-163.8	-179.9	-145.8	0.9	114.5	N137 L138 E139 L159 K163	N137-R161 VanDerWaalsContact OD1-CZ 3.26Å; N137-R161 PolarHBondContact OD1-NE 3.32Å; N137-R161 PolarHBondContact OD1-NH2 2.96Å; L138-R161 CarbonylContact O-C 3.09Å; L138-R161 VanDerWaalsContact O-C 3.29Å; E139-R161 WeakPolarHBondContact CA-O 3.46Å; E139-R161 HydrophobicContact CG-CB 3.85Å; L159-R161 PolarHBondContact O-N 2.89Å; R161-K163 PolarHBondContact O-N 3.29Å
162	L	93.6	Very high	89.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.163	C	C	.	.			trans	-66.1	118	-175.6	-168.8	74.6	0	0	0	111.1	L138 L141 L159 V164 L165 V183 P184 L185	L138-L162 HydrophobicContact CD2-CD1 4.28Å; L138-L162 HydrophobicContact CG-CD1 4.4Å; L138-L162 WeakPolarHBondContact O-CA 3.06Å; L138-L162 PolarHBondContact O-N 3.4Å; L141-L162 HydrophobicContact CB-CD1 3.64Å; L141-L162 HydrophobicContact CB-CD2 4.46Å; L159-L162 HydrophobicContact CB-CB 3.95Å; L159-L162 HydrophobicContact CB-CD2 4.42Å; L159-L162 HydrophobicContact CD1-CD2 4.03Å; L159-L162 WeakPolarHBondContact O-CB 3.43Å; L159-L162 PolarHBondContact O-N 3.34Å; L162-V164 WeakPolarHBondContact CD1-O 3.45Å; L162-L165 HydrophobicContact CD2-CB 4.11Å; L162-L165 HydrophobicContact CD2-CD1 4.4Å; L162-L165 HydrophobicContact CD2-CD2 4.32Å; L162-V183 HydrophobicContact CB-CG1 3.75Å; L162-V183 HydrophobicContact CD2-CG1 3.96Å; L162-V183 HydrophobicContact CG-CG1 4.35Å; L162-P184 CarbonylContact O-C 3.6Å; L162-P184 VanDerWaalsContact O-C 3.27Å; L162-P184 WeakPolarHBondContact O-CD 3.39Å; L162-L185 HydrophobicContact CD2-CD2 4.07Å; L162-L185 HydrophobicContact CG-CD2 4.05Å; L162-L185 PolarHBondContact O-N 3.14Å
163	K	85.2	Confident	89.4	Confident	19 Å²	19	31.6 Å²	31.6	8%	0.083	17%	0.17	C	C	.	.			trans	-104.8	-30.8	-179.3	-67.9	168.1	-175	164.5	0	112.1	E139 R161 T186 H187 V835 L836	E139-K163 PolarHBondContact O-N 2.86Å; E139-K163 WeakPolarHBondContact OE1-CE 3.18Å; E139-K163 IonicContact OE1-NZ 3.18Å; E139-K163 PolarHBondContact OE1-NZ 3.22Å; R161-K163 PolarHBondContact O-N 3.29Å; K163-T186 HydrophobicContact CB-CG2 4.49Å; K163-T186 PolarHBondContact O-N 2.89Å; K163-T186 PolarHBondContact O-OG1 3.49Å; K163-H187 PolarHBondContact O-N 3.27Å; K163-V835 HydrophobicContact CB-CG1 3.85Å; K163-V835 HydrophobicContact CD-CG1 4.05Å; K163-V835 WeakPolarHBondContact CD-O 3.37Å; K163-V835 PolarHBondContact NZ-O 2.77Å; K163-L836 PolarHBondContact NZ-O 3.4Å
164	V	82.3	Confident	89.5	Confident	10 Å²	10	35.5 Å²	35.5	6%	0.061	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	126.3	-176.8	-176.4	0	0	0	0	109.4	E139 F140 L141 L162 I166 H187 V835	E139-V164 PolarHBondContact O-N 2.02Å; F140-V164 HydrophobicContact CD2-CB 3.67Å; F140-V164 HydrophobicContact CD2-CG1 3.63Å; F140-V164 HydrophobicContact CD2-CG2 4.39Å; F140-V164 HydrophobicContact CE2-CB 4.19Å; F140-V164 HydrophobicContact CE2-CG1 3.6Å; L141-V164 PolarHBondContact N-O 3.31Å; L141-V164 VanDerWaalsContact N-O 3.11Å; L162-V164 WeakPolarHBondContact CD1-O 3.45Å; V164-I166 HydrophobicContact CG1-CD1 4.46Å; V164-I166 HydrophobicContact CG1-CG1 4.15Å; V164-H187 WeakPolarHBondContact CA-O 3.35Å; V164-H187 HydrophobicContact CB-CB 4.48Å; V164-H187 HydrophobicContact CG1-CB 4.16Å; V164-H187 HydrophobicContact CG2-CB 4.2Å; V164-V835 HydrophobicContact CG2-CB 3.94Å; V164-V835 HydrophobicContact CG2-CG1 3.78Å; V164-V835 HydrophobicContact CG2-CG2 3.89Å
165	L	93.9	Very high	89.7	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	117.5	177.3	176	55.4	0	0	0	109.9	L141 F156 L162 L167 F180 L185 H187 L188 D189	L141-L165 HydrophobicContact CB-CD1 4.18Å; L141-L165 HydrophobicContact CD2-CD1 3.96Å; L141-L165 HydrophobicContact CG-CD1 4.05Å; F156-L165 HydrophobicContact CD2-CD2 4.15Å; F156-L165 HydrophobicContact CE2-CD2 3.77Å; F156-L165 HydrophobicContact CZ-CD1 4.31Å; F156-L165 HydrophobicContact CZ-CD2 4.06Å; L162-L165 HydrophobicContact CD2-CB 4.11Å; L162-L165 HydrophobicContact CD2-CD1 4.4Å; L162-L165 HydrophobicContact CD2-CD2 4.32Å; L165-L167 HydrophobicContact CD1-CD1 4.02Å; L165-L167 HydrophobicContact CD1-CD2 4.42Å; L165-L167 HydrophobicContact CD1-CG 3.9Å; L165-L167 HydrophobicContact CD2-CD1 3.88Å; L165-L167 HydrophobicContact CG-CD1 3.85Å; L165-L167 HydrophobicContact CG-CG 4.05Å; L165-F180 HydrophobicContact CD2-CE1 3.58Å; L165-F180 HydrophobicContact CD2-CZ 3.87Å; L165-L185 HydrophobicContact CB-CD1 4.47Å; L165-L185 HydrophobicContact CB-CD2 3.77Å; L165-L185 HydrophobicContact CD2-CD1 4.34Å; L165-H187 PolarHBondContact N-O 3.45Å; L165-H187 VanDerWaalsContact N-O 3.12Å; L165-L188 HydrophobicContact CB-CD1 3.95Å; L165-L188 HydrophobicContact CD2-CD1 3.92Å; L165-L188 HydrophobicContact CG-CD1 3.86Å; L165-L188 WeakPolarHBondContact O-CA 3.48Å; L165-D189 PolarHBondContact O-N 3.07Å
166	I	83.6	Confident	89.6	Confident	11 Å²	11	34.4 Å²	34.4	6%	0.056	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115.1	-179.3	-57.6	-177.2	0	0	0	109	F140 L141 Q142 A143 D144 V164 N168 D189 Y832	F140-I166 HydrophobicContact CE2-CD1 3.79Å; F140-I166 HydrophobicContact CE2-CG1 4.32Å; F140-I166 HydrophobicContact CZ-CD1 3.85Å; L141-I166 PolarHBondContact O-N 3.02Å; Q142-I166 HydrophobicContact CB-CB 4.41Å; Q142-I166 HydrophobicContact CG-CB 4.25Å; Q142-I166 HydrophobicContact CG-CG2 4.33Å; A143-I166 PolarHBondContact N-O 3.24Å; D144-I166 HydrophobicContact CB-CG2 4.27Å; V164-I166 HydrophobicContact CG1-CD1 4.46Å; V164-I166 HydrophobicContact CG1-CG1 4.15Å; I166-N168 WeakPolarHBondContact CG2-OD1 3.46Å; I166-D189 HydrophobicContact CG2-CB 4.42Å; I166-Y832 HydrophobicContact CD1-CD1 3.93Å; I166-Y832 HydrophobicContact CD1-CD2 4.47Å; I166-Y832 HydrophobicContact CD1-CE1 3.5Å; I166-Y832 HydrophobicContact CD1-CE2 4.1Å; I166-Y832 HydrophobicContact CD1-CG 4.39Å
167	L	93.1	Very high	89.4	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.			trans	-131.2	20.2	-177.4	-72.6	168.5	0	0	0	112	L127 A143 I148 I151 F156 L165 N170 I172 D189 L190 N193	L127-L167 HydrophobicContact CD1-CD2 4.43Å; A143-L167 HydrophobicContact CB-CD2 4.03Å; I148-L167 HydrophobicContact CD1-CD2 4.39Å; I151-L167 HydrophobicContact CD1-CD1 4.06Å; F156-L167 HydrophobicContact CE2-CD1 4.43Å; F156-L167 HydrophobicContact CZ-CD1 4.26Å; L165-L167 HydrophobicContact CD1-CD1 4.02Å; L165-L167 HydrophobicContact CD1-CD2 4.42Å; L165-L167 HydrophobicContact CD1-CG 3.9Å; L165-L167 HydrophobicContact CD2-CD1 3.88Å; L165-L167 HydrophobicContact CG-CD1 3.85Å; L165-L167 HydrophobicContact CG-CG 4.05Å; L167-N170 PolarHBondContact O-ND2 3.29Å; L167-I172 HydrophobicContact CB-CD1 4.22Å; L167-I172 HydrophobicContact CD1-CD1 4.3Å; L167-I172 HydrophobicContact CD2-CD1 4.46Å; L167-D189 CarbonylContact C-O 3.56Å; L167-D189 WeakPolarHBondContact CA-O 3.21Å; L167-D189 WeakPolarHBondContact CB-O 3.08Å; L167-D189 PolarHBondContact N-O 2.05Å; L167-L190 HydrophobicContact CB-CD2 4.17Å; L167-L190 HydrophobicContact CD1-CD2 4.18Å; L167-N193 PolarHBondContact O-ND2 2.68Å
168	N	83.2	Confident	89.4	Confident	18 Å²	18	39.7 Å²	39.7	10%	0.096	20%	0.196	C	C	.	.			trans	-63.7	159.4	-179.5	63.1	-83	0	0	0	112.7	D144 N145 I166 N170 R191	D144-N168 VanDerWaalsContact CA-O 3.27Å; D144-N168 WeakPolarHBondContact CA-O 3.26Å; D144-N168 WeakPolarHBondContact CB-OD1 3.28Å; N145-N168 PolarHBondContact N-O 3.12Å; I166-N168 WeakPolarHBondContact CG2-OD1 3.46Å; N168-N170 VanDerWaalsContact C-N 3.29Å; N168-N170 PolarHBondContact O-N 3.12Å; N168-N170 PolarHBondContact O-ND2 2.71Å; N168-R191 CarbonylContact C-O 3.56Å; N168-R191 WeakPolarHBondContact CA-O 3.37Å; N168-R191 HydrophobicContact CB-CB 4.07Å
169	D	81.3	Confident	89.6	Confident	58 Å²	58	36.4 Å²	36.4	31%	0.31	18%	0.182	S	C	.	.	S	Bend	trans	52.7	47.3	174	-58.9	-65.5	0	0	0	112.9	N145 R191	N145-D169 WeakPolarHBondContact CA-O 3.25Å; D169-R191 PolarHBondContact N-O 3.16Å
170	N	88.1	Confident	89.5	Confident	8 Å²	8	36.6 Å²	36.6	4%	0.043	18%	0.182	C	C	.	.	S	Bend	trans	-119.7	-175.8	173.7	-87.6	-88	0	0	0	110.6	A143 N146 I148 L167 N168 I172 N193	A143-N170 PolarHBondContact O-ND2 3.17Å; N146-N170 WeakPolarHBondContact CA-OD1 3.46Å; N146-N170 WeakPolarHBondContact CB-OD1 3.38Å; N146-N170 PolarHBondContact O-OD1 3.23Å; I148-N170 HydrophobicContact CB-CB 4.39Å; I148-N170 VanDerWaalsContact CB-OD1 3.24Å; I148-N170 WeakPolarHBondContact CB-OD1 3.33Å; I148-N170 WeakPolarHBondContact CD1-OD1 3.49Å; I148-N170 VanDerWaalsContact CG1-OD1 3.27Å; I148-N170 WeakPolarHBondContact CG1-OD1 3.41Å; I148-N170 PolarHBondContact N-OD1 2.88Å; L167-N170 PolarHBondContact O-ND2 3.29Å; N168-N170 VanDerWaalsContact C-N 3.29Å; N168-N170 PolarHBondContact O-N 3.12Å; N168-N170 PolarHBondContact O-ND2 2.71Å; N170-I172 HydrophobicContact CB-CD1 4.4Å; N170-I172 HydrophobicContact CB-CG1 4.26Å; N170-N193 WeakPolarHBondContact CB-OD1 3.23Å; N170-N193 WeakPolarHBondContact O-CA 3.27Å; N170-N193 PolarHBondContact O-OD1 3.08Å
171	A	91.1	Very high	89.4	Confident	28 Å²	28	38.9 Å²	38.9	23%	0.231	18%	0.184	C	C	.	.			trans	-106.3	16.5	-175	0	0	0	0	0	114.4	I148 T149 E173 Q194	I148-A171 CarbonylContact O-C 3.27Å; I148-A171 VanDerWaalsContact O-CA 3.24Å; I148-A171 WeakPolarHBondContact O-CA 3.47Å; I148-A171 WeakPolarHBondContact O-CB 3.48Å; I148-A171 PolarHBondContact O-N 3.13Å; T149-A171 HydrophobicContact CG2-CB 3.69Å; A171-E173 PolarHBondContact O-N 3.43Å; A171-Q194 WeakPolarHBondContact O-CG 3.22Å
172	I	95.2	Very high	89.2	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.188	C	C	.	.			trans	-65.9	117.9	-166.1	-55.4	165.2	0	0	0	111.2	I148 I151 L167 N170 Y174 L175 N193 Q194 L195	I148-I172 HydrophobicContact CB-CG1 4.42Å; I148-I172 HydrophobicContact CG2-CG1 4.12Å; I148-I172 WeakPolarHBondContact O-CG1 3.16Å; I148-I172 PolarHBondContact O-N 3.04Å; I151-I172 HydrophobicContact CD1-CD1 3.76Å; I151-I172 HydrophobicContact CD1-CG1 4.41Å; I151-I172 HydrophobicContact CG1-CD1 4.49Å; L167-I172 HydrophobicContact CB-CD1 4.22Å; L167-I172 HydrophobicContact CD1-CD1 4.3Å; L167-I172 HydrophobicContact CD2-CD1 4.46Å; N170-I172 HydrophobicContact CB-CD1 4.4Å; N170-I172 HydrophobicContact CB-CG1 4.26Å; I172-Y174 VanDerWaalsContact CG2-O 3.28Å; I172-Y174 WeakPolarHBondContact CG2-O 3.29Å; I172-L175 HydrophobicContact CG2-CD2 4.01Å; I172-L175 HydrophobicContact CG2-CG 4.34Å; I172-N193 HydrophobicContact CB-CB 4.34Å; I172-N193 VanDerWaalsContact CB-OD1 3.27Å; I172-N193 WeakPolarHBondContact CB-OD1 3.31Å; I172-N193 WeakPolarHBondContact CD1-OD1 3.48Å; I172-N193 VanDerWaalsContact CG1-OD1 3.22Å; I172-N193 WeakPolarHBondContact CG1-OD1 3.4Å; I172-N193 PolarHBondContact N-OD1 3.12Å; I172-Q194 CarbonylContact O-C 3.26Å; I172-Q194 VanDerWaalsContact O-CA 3.27Å; I172-Q194 WeakPolarHBondContact O-CA 3.43Å; I172-Q194 WeakPolarHBondContact O-CB 3.35Å; I172-Q194 PolarHBondContact O-N 3.39Å; I172-L195 HydrophobicContact CB-CD2 4.47Å; I172-L195 HydrophobicContact CG2-CD2 3.89Å; I172-L195 PolarHBondContact O-N 2.99Å
173	E	90.1	Very high	89.1	Confident	110 Å²	110	39.4 Å²	39.4	51%	0.514	19%	0.19	S	C	.	.			trans	-84.8	-32.6	-179.8	-63.1	-160.5	159.5	0	0	113.8	A171 Q194 L195	A171-E173 PolarHBondContact O-N 3.43Å; E173-Q194 HydrophobicContact CG-CB 4.15Å; E173-L195 WeakPolarHBondContact O-CA 3.32Å
174	Y	90.9	Very high	89.3	Confident	133 Å²	133	41.8 Å²	41.8	52%	0.522	21%	0.208	S	C	.	.			trans	-154.5	159.2	178.1	65.6	-86.3	0	0	0	110.9	I172	I172-Y174 VanDerWaalsContact CG2-O 3.28Å; I172-Y174 WeakPolarHBondContact CG2-O 3.29Å
175	L	92.4	Very high	89.7	Confident	8 Å²	8	41.7 Å²	41.7	4%	0.042	21%	0.207	C	C	.	.			trans	-112.4	133.5	172.7	-68.4	166.6	0	0	0	109.3	I151 I172 L190 L195 L198 F203	I151-L175 HydrophobicContact CD1-CD2 3.94Å; I172-L175 HydrophobicContact CG2-CD2 4.01Å; I172-L175 HydrophobicContact CG2-CG 4.34Å; L175-L190 HydrophobicContact CD1-CD1 3.77Å; L175-L190 HydrophobicContact CD1-CD2 3.98Å; L175-L195 HydrophobicContact CD1-CD1 4.37Å; L175-L195 HydrophobicContact CD1-CD2 4.37Å; L175-L195 HydrophobicContact CG-CD2 4.1Å; L175-L198 HydrophobicContact CD1-CD2 4.18Å; L175-F203 HydrophobicContact CB-CD2 4.24Å; L175-F203 HydrophobicContact CB-CE2 3.76Å; L175-F203 HydrophobicContact CD1-CE2 3.56Å; L175-F203 HydrophobicContact CD1-CZ 3.66Å; L175-F203 HydrophobicContact CG-CE2 4.26Å
176	P	91.3	Very high	89.1	Confident	11 Å²	11	43.3 Å²	43.3	7%	0.071	22%	0.217	C	C	.	.			trans	-70.5	150.8	-177.1	25.6	-31.7	0	0	0	112.4	I151 A153 I179	I151-P176 WeakPolarHBondContact O-CD 3.07Å; I151-P176 WeakPolarHBondContact O-CG 3.36Å; A153-P176 HydrophobicContact CB-CB 4.07Å; A153-P176 HydrophobicContact CB-CG 4.42Å; P176-I179 HydrophobicContact CG-CB 4.08Å; P176-I179 HydrophobicContact CG-CD1 4.17Å; P176-I179 HydrophobicContact CG-CG1 4.2Å; P176-I179 WeakPolarHBondContact O-CB 3.4Å; P176-I179 WeakPolarHBondContact O-CG2 3.32Å; P176-I179 PolarHBondContact O-N 2.92Å
177	P	88.9	Confident	89	Confident	76 Å²	76	45 Å²	45	49%	0.494	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	142.8	178.7	29.9	-35	0	0	0	111.2	I179	P177-I179 VanDerWaalsContact C-N 3.28Å; P177-I179 PolarHBondContact O-N 3.01Å
178	N	89.6	Confident	89	Confident	69 Å²	69	45.1 Å²	45.1	37%	0.369	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	5.1	-175.9	-50.8	-88.8	0	0	0	115.7	F180 R181 G202	N178-F180 PolarHBondContact O-N 2.69Å; N178-F180 VanDerWaalsContact O-N 3.09Å; N178-R181 HydrophobicContact CB-CB 4.05Å; N178-R181 WeakPolarHBondContact O-CB 3.31Å; N178-R181 PolarHBondContact O-N 3.12Å; N178-G202 WeakPolarHBondContact CA-O 3.36Å; N178-G202 PolarHBondContact N-O 3.06Å
179	I	92.1	Very high	89	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.015	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.8	-179.5	-168.8	57.5	0	0	0	114.1	I151 E152 A153 A155 F156 P176 P177 F203	I151-I179 HydrophobicContact CG2-CD1 4.18Å; E152-I179 WeakPolarHBondContact O-CD1 3.36Å; A153-I179 WeakPolarHBondContact O-CD1 3.49Å; A155-I179 HydrophobicContact CB-CD1 4.43Å; F156-I179 HydrophobicContact CB-CD1 4.48Å; F156-I179 HydrophobicContact CD2-CD1 3.92Å; F156-I179 HydrophobicContact CD2-CG1 3.76Å; F156-I179 HydrophobicContact CE2-CG1 4.31Å; F156-I179 HydrophobicContact CG-CD1 4.47Å; P176-I179 HydrophobicContact CG-CB 4.08Å; P176-I179 HydrophobicContact CG-CD1 4.17Å; P176-I179 HydrophobicContact CG-CG1 4.2Å; P176-I179 WeakPolarHBondContact O-CB 3.4Å; P176-I179 WeakPolarHBondContact O-CG2 3.32Å; P176-I179 PolarHBondContact O-N 2.92Å; P177-I179 VanDerWaalsContact C-N 3.28Å; P177-I179 PolarHBondContact O-N 3.01Å; I179-F203 HydrophobicContact CG2-CD2 3.9Å; I179-F203 HydrophobicContact CG2-CE2 4.02Å
180	F	92.1	Very high	89.6	Confident	3 Å²	3	42.4 Å²	42.4	1%	0.013	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	13.6	177.2	-57.3	-43.1	0	0	0	114.2	F156 L165 N178 F182 V183 L185 L188 F203 I207	F156-F180 HydrophobicContact CD2-CD1 4.35Å; F156-F180 AromaticContact CD2-CE1 3.71Å; F156-F180 HydrophobicContact CD2-CE1 3.71Å; F156-F180 HydrophobicContact CE2-CE1 4.08Å; L165-F180 HydrophobicContact CD2-CE1 3.58Å; L165-F180 HydrophobicContact CD2-CZ 3.87Å; N178-F180 PolarHBondContact O-N 2.69Å; N178-F180 VanDerWaalsContact O-N 3.09Å; F180-F182 PolarHBondContact O-N 3.18Å; F180-F182 VanDerWaalsContact O-N 3.11Å; F180-V183 HydrophobicContact CB-CB 4.25Å; F180-V183 HydrophobicContact CD1-CB 4.22Å; F180-V183 HydrophobicContact CD1-CG1 4.36Å; F180-V183 HydrophobicContact CD1-CG2 4.42Å; F180-V183 PolarHBondContact O-N 3.26Å; F180-V183 VanDerWaalsContact O-N 3.07Å; F180-L185 HydrophobicContact CD1-CD1 3.65Å; F180-L185 HydrophobicContact CD2-CD1 4.04Å; F180-L185 HydrophobicContact CE1-CD1 3.63Å; F180-L185 HydrophobicContact CE2-CD1 4Å; F180-L185 HydrophobicContact CG-CD1 3.87Å; F180-L185 HydrophobicContact CZ-CD1 3.81Å; F180-L188 HydrophobicContact CE2-CD2 3.59Å; F180-L188 HydrophobicContact CZ-CD1 4.22Å; F180-L188 HydrophobicContact CZ-CD2 3.96Å; F180-F203 HydrophobicContact CD2-CD2 4.12Å; F180-F203 AromaticContact CD2-CE2 3.63Å; F180-F203 HydrophobicContact CD2-CE2 3.63Å; F180-F203 HydrophobicContact CD2-CZ 4Å; F180-F203 HydrophobicContact CE2-CD2 4.26Å; F180-F203 AromaticContact CE2-CE2 3.34Å; F180-F203 HydrophobicContact CE2-CE2 3.34Å; F180-F203 AromaticContact CE2-CZ 3.57Å; F180-F203 HydrophobicContact CE2-CZ 3.57Å; F180-F203 HydrophobicContact CZ-CE2 4.37Å; F180-I207 HydrophobicContact CB-CG2 4.13Å; F180-I207 HydrophobicContact CD2-CG2 3.63Å; F180-I207 HydrophobicContact CE2-CG2 4.45Å; F180-I207 HydrophobicContact CG-CG2 4.23Å
181	R	88.2	Confident	89.4	Confident	138 Å²	138	44.9 Å²	44.9	52%	0.521	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-27.3	-174.2	175.7	170.5	173.5	-173.9	-3.3	114.6	N178	N178-R181 HydrophobicContact CB-CB 4.05Å; N178-R181 WeakPolarHBondContact O-CB 3.31Å; N178-R181 PolarHBondContact O-N 3.12Å
182	F	88.1	Confident	89	Confident	116 Å²	116	44.4 Å²	44.4	51%	0.509	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	15.4	178.7	-53.6	-66.6	0	0	0	112.4	F180	F180-F182 PolarHBondContact O-N 3.18Å; F180-F182 VanDerWaalsContact O-N 3.11Å
183	V	91.5	Very high	88.9	Confident	8 Å²	8	44.4 Å²	44.4	5%	0.048	22%	0.218	C	C	.	.			trans	-119.3	105.5	-166.2	-167.1	0	0	0	0	109.5	F156 L162 F180 L185	F156-V183 HydrophobicContact CB-CG2 4.25Å; L162-V183 HydrophobicContact CB-CG1 3.75Å; L162-V183 HydrophobicContact CD2-CG1 3.96Å; L162-V183 HydrophobicContact CG-CG1 4.35Å; F180-V183 HydrophobicContact CB-CB 4.25Å; F180-V183 HydrophobicContact CD1-CB 4.22Å; F180-V183 HydrophobicContact CD1-CG1 4.36Å; F180-V183 HydrophobicContact CD1-CG2 4.42Å; F180-V183 PolarHBondContact O-N 3.26Å; F180-V183 VanDerWaalsContact O-N 3.07Å; V183-L185 HydrophobicContact CG1-CD2 4.09Å; V183-L185 HydrophobicContact CG1-CG 3.96Å; V183-L185 PolarHBondContact O-N 3.08Å
184	P	88.4	Confident	89	Confident	69 Å²	69	41.5 Å²	41.5	45%	0.448	20%	0.204	S	C	.	.			trans	-81.7	57	-168.7	35	-37.9	0	0	0	113.5	N160 L162 T186	N160-P184 WeakPolarHBondContact O-CD 3.49Å; N160-P184 WeakPolarHBondContact O-CG 3.17Å; L162-P184 CarbonylContact O-C 3.6Å; L162-P184 VanDerWaalsContact O-C 3.27Å; L162-P184 WeakPolarHBondContact O-CD 3.39Å; P184-T186 PolarHBondContact O-N 3.4Å
185	L	90.6	Very high	89.2	Confident	9 Å²	9	35.2 Å²	35.2	5%	0.047	18%	0.179	C	C	.	.			trans	-62.1	133.5	-175.8	-67.1	178.1	0	0	0	113.3	L162 L165 F180 V183 L188	L162-L185 HydrophobicContact CD2-CD2 4.07Å; L162-L185 HydrophobicContact CG-CD2 4.05Å; L162-L185 PolarHBondContact O-N 3.14Å; L165-L185 HydrophobicContact CB-CD1 4.47Å; L165-L185 HydrophobicContact CB-CD2 3.77Å; L165-L185 HydrophobicContact CD2-CD1 4.34Å; F180-L185 HydrophobicContact CD1-CD1 3.65Å; F180-L185 HydrophobicContact CD2-CD1 4.04Å; F180-L185 HydrophobicContact CE1-CD1 3.63Å; F180-L185 HydrophobicContact CE2-CD1 4Å; F180-L185 HydrophobicContact CG-CD1 3.87Å; F180-L185 HydrophobicContact CZ-CD1 3.81Å; V183-L185 HydrophobicContact CG1-CD2 4.09Å; V183-L185 HydrophobicContact CG1-CG 3.96Å; V183-L185 PolarHBondContact O-N 3.08Å; L185-L188 HydrophobicContact CD1-CB 4.45Å; L185-L188 HydrophobicContact CD1-CD1 4.33Å; L185-L188 HydrophobicContact CD1-CD2 4.22Å
186	T	82.1	Confident	89.1	Confident	33 Å²	33	39.3 Å²	39.3	20%	0.202	20%	0.198	C	C	.	.	S	Bend	trans	-109.2	-29.2	171.3	61.9	0	0	0	0	112	K163 P184 I210 L211 D212	K163-T186 HydrophobicContact CB-CG2 4.49Å; K163-T186 PolarHBondContact O-N 2.89Å; K163-T186 PolarHBondContact O-OG1 3.49Å; P184-T186 PolarHBondContact O-N 3.4Å; T186-I210 WeakPolarHBondContact O-CG1 3.49Å; T186-L211 WeakPolarHBondContact O-CB 3.5Å; T186-L211 PolarHBondContact O-N 3.29Å; T186-D212 PolarHBondContact O-N 2.9Å
187	H	81	Confident	89.2	Confident	46 Å²	46	41 Å²	41	21%	0.213	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	130.5	178.7	-60.3	76.5	0	0	0	109.6	K163 V164 L165 D212	K163-H187 PolarHBondContact O-N 3.27Å; V164-H187 WeakPolarHBondContact CA-O 3.35Å; V164-H187 HydrophobicContact CB-CB 4.48Å; V164-H187 HydrophobicContact CG1-CB 4.16Å; V164-H187 HydrophobicContact CG2-CB 4.2Å; L165-H187 PolarHBondContact N-O 3.45Å; L165-H187 VanDerWaalsContact N-O 3.12Å; H187-D212 WeakPolarHBondContact CA-O 3.23Å; H187-D212 VanDerWaalsContact CD2-CB 3.46Å; H187-D212 WeakPolarHBondContact CD2-CB 3.46Å
188	L	92.9	Very high	89.3	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	120.6	176.8	177.8	57.7	0	0	0	110.3	L165 F180 L185 L190 F203 I210 D212 L213 Q214	L165-L188 HydrophobicContact CB-CD1 3.95Å; L165-L188 HydrophobicContact CD2-CD1 3.92Å; L165-L188 HydrophobicContact CG-CD1 3.86Å; L165-L188 WeakPolarHBondContact O-CA 3.48Å; F180-L188 HydrophobicContact CE2-CD2 3.59Å; F180-L188 HydrophobicContact CZ-CD1 4.22Å; F180-L188 HydrophobicContact CZ-CD2 3.96Å; L185-L188 HydrophobicContact CD1-CB 4.45Å; L185-L188 HydrophobicContact CD1-CD1 4.33Å; L185-L188 HydrophobicContact CD1-CD2 4.22Å; L188-L190 HydrophobicContact CD1-CD2 4.28Å; L188-L190 HydrophobicContact CD1-CG 4.15Å; L188-L190 HydrophobicContact CD2-CD1 3.91Å; L188-L190 HydrophobicContact CD2-CG 4.37Å; L188-L190 HydrophobicContact CG-CD1 4.06Å; L188-L190 HydrophobicContact CG-CG 3.99Å; L188-F203 HydrophobicContact CD2-CZ 4.49Å; L188-I210 HydrophobicContact CB-CD1 3.62Å; L188-D212 PolarHBondContact N-O 2.9Å; L188-L213 HydrophobicContact CB-CD1 3.91Å; L188-L213 HydrophobicContact CD2-CD1 3.89Å; L188-L213 HydrophobicContact CG-CD1 3.98Å; L188-L213 WeakPolarHBondContact O-CA 3.41Å; L188-Q214 PolarHBondContact O-N 3.34Å
189	D	83.4	Confident	89.1	Confident	19 Å²	19	36.5 Å²	36.5	10%	0.102	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.1	174.8	-160.6	-25.6	0	0	0	111.2	L165 I166 L167 R191 Q214	L165-D189 PolarHBondContact O-N 3.07Å; I166-D189 HydrophobicContact CG2-CB 4.42Å; L167-D189 CarbonylContact C-O 3.56Å; L167-D189 WeakPolarHBondContact CA-O 3.21Å; L167-D189 WeakPolarHBondContact CB-O 3.08Å; L167-D189 PolarHBondContact N-O 2.05Å; D189-R191 WeakPolarHBondContact OD1-CB 3.06Å; D189-R191 WeakPolarHBondContact OD1-CG 3.46Å; D189-R191 PolarHBondContact OD1-N 3.01Å; D189-R191 IonicContact OD1-NE 3.6Å; D189-R191 PolarHBondContact OD1-NE 3.18Å; D189-R191 IonicContact OD2-CZ 2.84Å; D189-R191 IonicContact OD2-NE 2.72Å; D189-R191 PolarHBondContact OD2-NE 3.06Å; D189-R191 IonicContact OD2-NH2 3.87Å; D189-R191 PolarHBondContact OD2-NH2 3.31Å; D189-Q214 HydrophobicContact CB-CB 4.49Å
190	L	93.7	Very high	88.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.202	C	C	.	.			trans	-121.5	14.2	178.3	-67	168.3	0	0	0	112.2	L167 L175 L188 N193 L195 Q214 L215 N218	L167-L190 HydrophobicContact CB-CD2 4.17Å; L167-L190 HydrophobicContact CD1-CD2 4.18Å; L175-L190 HydrophobicContact CD1-CD1 3.77Å; L175-L190 HydrophobicContact CD1-CD2 3.98Å; L188-L190 HydrophobicContact CD1-CD2 4.28Å; L188-L190 HydrophobicContact CD1-CG 4.15Å; L188-L190 HydrophobicContact CD2-CD1 3.91Å; L188-L190 HydrophobicContact CD2-CG 4.37Å; L188-L190 HydrophobicContact CG-CD1 4.06Å; L188-L190 HydrophobicContact CG-CG 3.99Å; L190-N193 WeakPolarHBondContact O-CB 3.42Å; L190-N193 PolarHBondContact O-ND2 3.02Å; L190-L195 HydrophobicContact CB-CD1 4.03Å; L190-L195 HydrophobicContact CD1-CD1 3.92Å; L190-L195 HydrophobicContact CD2-CD1 4.42Å; L190-L195 HydrophobicContact CG-CD1 4.35Å; L190-Q214 PolarHBondContact N-O 2.8Å; L190-Q214 VanDerWaalsContact N-O 3.12Å; L190-L215 HydrophobicContact CB-CD2 4.48Å; L190-L215 HydrophobicContact CD1-CD2 4.16Å; L190-N218 PolarHBondContact O-ND2 3.07Å
191	R	84.9	Confident	88.3	Confident	59 Å²	59	46.6 Å²	46.6	22%	0.223	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	150.7	-175.7	-69	177.8	-67.9	152.5	-1.2	113.1	N168 D169 D189 N193 Q214 E216	N168-R191 CarbonylContact C-O 3.56Å; N168-R191 WeakPolarHBondContact CA-O 3.37Å; N168-R191 HydrophobicContact CB-CB 4.07Å; D169-R191 PolarHBondContact N-O 3.16Å; D189-R191 WeakPolarHBondContact OD1-CB 3.06Å; D189-R191 WeakPolarHBondContact OD1-CG 3.46Å; D189-R191 PolarHBondContact OD1-N 3.01Å; D189-R191 IonicContact OD1-NE 3.6Å; D189-R191 PolarHBondContact OD1-NE 3.18Å; D189-R191 IonicContact OD2-CZ 2.84Å; D189-R191 IonicContact OD2-NE 2.72Å; D189-R191 PolarHBondContact OD2-NE 3.06Å; D189-R191 IonicContact OD2-NH2 3.87Å; D189-R191 PolarHBondContact OD2-NH2 3.31Å; R191-N193 PolarHBondContact O-N 2.99Å; R191-N193 VanDerWaalsContact O-N 3.07Å; R191-N193 PolarHBondContact O-ND2 3.4Å; R191-Q214 HydrophobicContact CG-CB 3.63Å; R191-E216 WeakPolarHBondContact CA-O 3.18Å; R191-E216 HydrophobicContact CG-CB 4.14Å
192	G	82	Confident	87.9	Confident	19 Å²	19	40 Å²	40	20%	0.196	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	-1.4	175.1	0	0	0	0	0	116.3	Q194 E216	G192-Q194 PolarHBondContact O-NE2 3.29Å; G192-Q194 VanDerWaalsContact O-NE2 3.14Å; G192-E216 PolarHBondContact N-O 2.71Å
193	N	91.8	Very high	87.9	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-76	-175.9	178.5	-79.8	-82.1	0	0	0	113.2	L167 N170 I172 L190 R191 L195 N218	L167-N193 PolarHBondContact O-ND2 2.68Å; N170-N193 WeakPolarHBondContact CB-OD1 3.23Å; N170-N193 WeakPolarHBondContact O-CA 3.27Å; N170-N193 PolarHBondContact O-OD1 3.08Å; I172-N193 HydrophobicContact CB-CB 4.34Å; I172-N193 VanDerWaalsContact CB-OD1 3.27Å; I172-N193 WeakPolarHBondContact CB-OD1 3.31Å; I172-N193 WeakPolarHBondContact CD1-OD1 3.48Å; I172-N193 VanDerWaalsContact CG1-OD1 3.22Å; I172-N193 WeakPolarHBondContact CG1-OD1 3.4Å; I172-N193 PolarHBondContact N-OD1 3.12Å; L190-N193 WeakPolarHBondContact O-CB 3.42Å; L190-N193 PolarHBondContact O-ND2 3.02Å; R191-N193 PolarHBondContact O-N 2.99Å; R191-N193 VanDerWaalsContact O-N 3.07Å; R191-N193 PolarHBondContact O-ND2 3.4Å; N193-L195 HydrophobicContact CB-CG 4.26Å; N193-N218 WeakPolarHBondContact CA-OD1 3.23Å; N193-N218 WeakPolarHBondContact CB-OD1 3.46Å; N193-N218 WeakPolarHBondContact O-CA 3.45Å; N193-N218 PolarHBondContact O-OD1 3.24Å
194	Q	93.2	Very high	87.7	Confident	49 Å²	49	34.2 Å²	34.2	23%	0.229	18%	0.183	C	C	.	.			trans	-107.9	18.1	-173.3	-47.6	-51.7	-51.7	0	0	112.3	A171 I172 E173 G192 Q196 K219	A171-Q194 WeakPolarHBondContact O-CG 3.22Å; I172-Q194 CarbonylContact O-C 3.26Å; I172-Q194 VanDerWaalsContact O-CA 3.27Å; I172-Q194 WeakPolarHBondContact O-CA 3.43Å; I172-Q194 WeakPolarHBondContact O-CB 3.35Å; I172-Q194 PolarHBondContact O-N 3.39Å; E173-Q194 HydrophobicContact CG-CB 4.15Å; G192-Q194 PolarHBondContact O-NE2 3.29Å; G192-Q194 VanDerWaalsContact O-NE2 3.14Å; Q194-Q196 PolarHBondContact O-N 3.19Å; Q194-K219 HydrophobicContact CB-CD 4.24Å; Q194-K219 VanDerWaalsContact OE1-CD 3.32Å
195	L	94.3	Very high	87.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.181	C	C	.	.			trans	-63	132.5	-171.7	-60	171.6	0	0	0	111.9	I172 E173 L175 L190 N193 L198 N218 K219 W220	I172-L195 HydrophobicContact CB-CD2 4.47Å; I172-L195 HydrophobicContact CG2-CD2 3.89Å; I172-L195 PolarHBondContact O-N 2.99Å; E173-L195 WeakPolarHBondContact O-CA 3.32Å; L175-L195 HydrophobicContact CD1-CD1 4.37Å; L175-L195 HydrophobicContact CD1-CD2 4.37Å; L175-L195 HydrophobicContact CG-CD2 4.1Å; L190-L195 HydrophobicContact CB-CD1 4.03Å; L190-L195 HydrophobicContact CD1-CD1 3.92Å; L190-L195 HydrophobicContact CD2-CD1 4.42Å; L190-L195 HydrophobicContact CG-CD1 4.35Å; N193-L195 HydrophobicContact CB-CG 4.26Å; L195-L198 HydrophobicContact CD1-CD2 4.48Å; L195-N218 HydrophobicContact CB-CB 4.37Å; L195-N218 WeakPolarHBondContact CB-OD1 3.47Å; L195-N218 VanDerWaalsContact CG-OD1 3.26Å; L195-N218 WeakPolarHBondContact CG-OD1 3.4Å; L195-N218 PolarHBondContact N-OD1 2.83Å; L195-K219 CarbonylContact O-C 3.59Å; L195-K219 WeakPolarHBondContact O-CA 3.47Å; L195-K219 PolarHBondContact O-N 3.19Å; L195-W220 HydrophobicContact CB-CH2 3.68Å; L195-W220 HydrophobicContact CB-CZ2 4.25Å; L195-W220 HydrophobicContact CB-CZ3 3.86Å; L195-W220 HydrophobicContact CD1-CH2 3.91Å; L195-W220 HydrophobicContact CD1-CZ2 4.41Å; L195-W220 HydrophobicContact CG-CH2 4.46Å; L195-W220 PolarHBondContact O-N 3.43Å; L195-W220 VanDerWaalsContact O-N 3.09Å
196	Q	92.1	Very high	87.3	Confident	95 Å²	95	37.8 Å²	37.8	44%	0.444	19%	0.193	S	C	.	.			trans	-102.1	-32	177.8	-64.3	-177.4	66.6	0	0	112.7	Q194 K219 A221	Q194-Q196 PolarHBondContact O-N 3.19Å; Q196-K219 HydrophobicContact CG-CB 4.31Å; Q196-A221 HydrophobicContact CB-CB 4.24Å; Q196-A221 PolarHBondContact O-N 3.2Å
197	T	91.5	Very high	87.5	Confident	47 Å²	47	36.4 Å²	36.4	29%	0.288	19%	0.185	S	C	.	.			trans	-155.9	160.9	177.5	-170.5	0	0	0	0	111.5
198	L	91.6	Very high	87.1	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.			trans	-122.2	116.2	169.3	-66.4	176.5	0	0	0	108.2	L175 L195 F203 L204 L215 W220 L229	L175-L198 HydrophobicContact CD1-CD2 4.18Å; L195-L198 HydrophobicContact CD1-CD2 4.48Å; L198-F203 HydrophobicContact CB-CD1 4.33Å; L198-F203 HydrophobicContact CB-CE1 4.37Å; L198-F203 HydrophobicContact CD1-CE1 3.99Å; L198-F203 HydrophobicContact CD2-CD1 4.28Å; L198-F203 HydrophobicContact CD2-CE1 3.74Å; L198-F203 HydrophobicContact CD2-CE2 4.46Å; L198-F203 HydrophobicContact CD2-CZ 3.83Å; L198-F203 HydrophobicContact CG-CE1 4.24Å; L198-L204 HydrophobicContact CB-CD2 4.29Å; L198-L204 HydrophobicContact CD1-CD2 4.44Å; L198-L215 HydrophobicContact CD1-CD2 4.04Å; L198-W220 HydrophobicContact CD1-CH2 3.88Å; L198-W220 HydrophobicContact CD1-CZ3 4.37Å; L198-W220 HydrophobicContact CD2-CH2 4.34Å; L198-W220 HydrophobicContact CG-CH2 3.77Å; L198-W220 HydrophobicContact CG-CZ3 3.85Å; L198-L229 HydrophobicContact CB-CD1 4.46Å; L198-L229 HydrophobicContact CD1-CD1 4.19Å; L198-L229 HydrophobicContact CD1-CD2 4.37Å
199	P	84.9	Confident	86.4	Confident	49 Å²	49	46.5 Å²	46.5	32%	0.318	23%	0.233	S	C	.	.			trans	-69.9	147.7	-179.5	29.7	-34.3	0	0	0	110.7	F203 L204	P199-F203 HydrophobicContact CG-CB 4.08Å; P199-F203 WeakPolarHBondContact O-CB 3.35Å; P199-L204 WeakPolarHBondContact O-CG 3.3Å; P199-L204 PolarHBondContact O-N 3.22Å
200	Y	84.6	Confident	86.4	Confident	109 Å²	109	45.6 Å²	45.6	43%	0.427	23%	0.228	S	C	.	.	I	π-helix	trans	-72.1	-55.7	174.2	-177.5	-88.2	0	0	0	111.5	F203 L204 E205	Y200-F203 PolarHBondContact O-N 3.11Å; Y200-L204 HydrophobicContact CD2-CB 3.96Å; Y200-L204 HydrophobicContact CD2-CD1 4.35Å; Y200-L204 PolarHBondContact O-N 2.83Å; Y200-L204 VanDerWaalsContact O-N 3.1Å; Y200-E205 HydrophobicContact CE1-CB 4.27Å; Y200-E205 PolarHBondContact O-N 2.93Å
201	V	83.4	Confident	85.3	Confident	109 Å²	109	47.4 Å²	47.4	66%	0.661	24%	0.238	S	C	*	.	I	π-helix	trans	-65.2	132.8	176.4	-175.9	0	0	0	0	109.3	F203	V201-F203 VanDerWaalsContact C-N 3.25Å; V201-F203 PolarHBondContact O-N 3.18Å
202	G	80.8	Confident	84.9	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.01	23%	0.231	C	C	.	.	I	π-helix	trans	80.4	-20.8	-176	0	0	0	0	0	115.1	N178 E205 H206	N178-G202 WeakPolarHBondContact CA-O 3.36Å; N178-G202 PolarHBondContact N-O 3.06Å; G202-E205 VanDerWaalsContact CA-OE1 3.31Å; G202-E205 WeakPolarHBondContact CA-OE1 3.45Å; G202-E205 PolarHBondContact N-OE1 2.83Å; G202-H206 PolarHBondContact O-ND1 2.78Å
203	F	88.3	Confident	85.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.221	C	C	.	.	I	π-helix	trans	-129.7	-70.6	-170.7	-171.2	-80.1	0	0	0	113.4	L175 I179 F180 L188 L198 P199 Y200 V201 E205 H206 I207	L175-F203 HydrophobicContact CB-CD2 4.24Å; L175-F203 HydrophobicContact CB-CE2 3.76Å; L175-F203 HydrophobicContact CD1-CE2 3.56Å; L175-F203 HydrophobicContact CD1-CZ 3.66Å; L175-F203 HydrophobicContact CG-CE2 4.26Å; I179-F203 HydrophobicContact CG2-CD2 3.9Å; I179-F203 HydrophobicContact CG2-CE2 4.02Å; F180-F203 HydrophobicContact CD2-CD2 4.12Å; F180-F203 AromaticContact CD2-CE2 3.63Å; F180-F203 HydrophobicContact CD2-CE2 3.63Å; F180-F203 HydrophobicContact CD2-CZ 4Å; F180-F203 HydrophobicContact CE2-CD2 4.26Å; F180-F203 AromaticContact CE2-CE2 3.34Å; F180-F203 HydrophobicContact CE2-CE2 3.34Å; F180-F203 AromaticContact CE2-CZ 3.57Å; F180-F203 HydrophobicContact CE2-CZ 3.57Å; F180-F203 HydrophobicContact CZ-CE2 4.37Å; L188-F203 HydrophobicContact CD2-CZ 4.49Å; L198-F203 HydrophobicContact CB-CD1 4.33Å; L198-F203 HydrophobicContact CB-CE1 4.37Å; L198-F203 HydrophobicContact CD1-CE1 3.99Å; L198-F203 HydrophobicContact CD2-CD1 4.28Å; L198-F203 HydrophobicContact CD2-CE1 3.74Å; L198-F203 HydrophobicContact CD2-CE2 4.46Å; L198-F203 HydrophobicContact CD2-CZ 3.83Å; L198-F203 HydrophobicContact CG-CE1 4.24Å; P199-F203 HydrophobicContact CG-CB 4.08Å; P199-F203 WeakPolarHBondContact O-CB 3.35Å; Y200-F203 PolarHBondContact O-N 3.11Å; V201-F203 VanDerWaalsContact C-N 3.25Å; V201-F203 PolarHBondContact O-N 3.18Å; F203-E205 PolarHBondContact O-N 2.95Å; F203-H206 PolarHBondContact O-N 2.83Å; F203-I207 HydrophobicContact CD1-CD1 4.3Å; F203-I207 HydrophobicContact CE1-CD1 3.77Å; F203-I207 HydrophobicContact CE1-CG1 4.48Å; F203-I207 PolarHBondContact O-N 3Å
204	L	86.4	Confident	84.8	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.226	C	C	.	.	I	π-helix	trans	-65.2	-23.8	-177	-59	173.4	0	0	0	113.3	L198 P199 Y200 H206 I207 L229 W232	L198-L204 HydrophobicContact CB-CD2 4.29Å; L198-L204 HydrophobicContact CD1-CD2 4.44Å; P199-L204 WeakPolarHBondContact O-CG 3.3Å; P199-L204 PolarHBondContact O-N 3.22Å; Y200-L204 HydrophobicContact CD2-CB 3.96Å; Y200-L204 HydrophobicContact CD2-CD1 4.35Å; Y200-L204 PolarHBondContact O-N 2.83Å; Y200-L204 VanDerWaalsContact O-N 3.1Å; L204-H206 VanDerWaalsContact C-N 3.31Å; L204-I207 HydrophobicContact CD2-CD1 4.11Å; L204-I207 HydrophobicContact CD2-CG1 4.43Å; L204-L229 HydrophobicContact CD1-CB 4.22Å; L204-L229 HydrophobicContact CD1-CD1 3.91Å; L204-L229 HydrophobicContact CD2-CD1 3.89Å; L204-W232 HydrophobicContact CB-CD2 4.4Å; L204-W232 HydrophobicContact CB-CG 4.11Å; L204-W232 HydrophobicContact CD1-CB 4.04Å; L204-W232 HydrophobicContact CD1-CD2 4.47Å; L204-W232 HydrophobicContact CD1-CG 4.1Å; L204-W232 HydrophobicContact CD2-CD2 4.03Å; L204-W232 HydrophobicContact CD2-CE3 4.21Å; L204-W232 HydrophobicContact CD2-CG 4.44Å; L204-W232 HydrophobicContact CD2-CZ2 4.44Å; L204-W232 HydrophobicContact CG-CG 4.45Å; L204-W232 PolarHBondContact O-NE1 2.87Å; L204-W232 VanDerWaalsContact O-NE1 3.14Å
205	E	85.1	Confident	84.6	Confident	90 Å²	90	43 Å²	43	42%	0.421	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-29	172.1	71.5	-172.4	169.3	0	0	113.4	Y200 G202 F203	Y200-E205 HydrophobicContact CE1-CB 4.27Å; Y200-E205 PolarHBondContact O-N 2.93Å; G202-E205 VanDerWaalsContact CA-OE1 3.31Å; G202-E205 WeakPolarHBondContact CA-OE1 3.45Å; G202-E205 PolarHBondContact N-OE1 2.83Å; F203-E205 PolarHBondContact O-N 2.95Å
206	H	85.8	Confident	84.1	Confident	63 Å²	63	43.4 Å²	43.4	29%	0.292	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-34.5	-178.5	-64.4	113.9	0	0	0	112.5	G202 F203 L204 G208	G202-H206 PolarHBondContact O-ND1 2.78Å; F203-H206 PolarHBondContact O-N 2.83Å; L204-H206 VanDerWaalsContact C-N 3.31Å; H206-G208 VanDerWaalsContact C-N 3.32Å; H206-G208 PolarHBondContact O-N 2.57Å
207	I	85.5	Confident	83.6	Confident	5 Å²	5	41.2 Å²	41.2	3%	0.026	21%	0.208	C	C	.	.	S	Bend	trans	-88.1	14.2	-179.4	66.5	161.8	0	0	0	114.6	F180 F203 L204 R209 I210 L213 W232	F180-I207 HydrophobicContact CB-CG2 4.13Å; F180-I207 HydrophobicContact CD2-CG2 3.63Å; F180-I207 HydrophobicContact CE2-CG2 4.45Å; F180-I207 HydrophobicContact CG-CG2 4.23Å; F203-I207 HydrophobicContact CD1-CD1 4.3Å; F203-I207 HydrophobicContact CE1-CD1 3.77Å; F203-I207 HydrophobicContact CE1-CG1 4.48Å; F203-I207 PolarHBondContact O-N 3Å; L204-I207 HydrophobicContact CD2-CD1 4.11Å; L204-I207 HydrophobicContact CD2-CG1 4.43Å; I207-R209 PolarHBondContact O-N 2.99Å; I207-I210 WeakPolarHBondContact O-CB 3.48Å; I207-I210 VanDerWaalsContact O-CG2 3.24Å; I207-I210 WeakPolarHBondContact O-CG2 3.5Å; I207-I210 PolarHBondContact O-N 3.12Å; I207-I210 VanDerWaalsContact O-N 3.09Å; I207-L213 HydrophobicContact CD1-CD2 3.94Å; I207-W232 HydrophobicContact CD1-CH2 4.19Å; I207-W232 HydrophobicContact CD1-CZ2 4.12Å; I207-W232 HydrophobicContact CG1-CZ2 4.02Å
208	G	73.8	Confident	83.5	Confident	40 Å²	40	39.6 Å²	39.6	41%	0.412	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	6.5	-175.9	0	0	0	0	0	117.1	H206	H206-G208 VanDerWaalsContact C-N 3.32Å; H206-G208 PolarHBondContact O-N 2.57Å
209	R	76.6	Confident	83.5	Confident	222 Å²	222	43.9 Å²	43.9	84%	0.838	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.7	5.8	174.3	-65.7	-175.1	179.9	174.8	2	113.7	I207	I207-R209 PolarHBondContact O-N 2.99Å
210	I	83.5	Confident	83.8	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.201	C	C	.	.			trans	-65.7	137.7	-173.3	-164.4	157.3	0	0	0	112.8	T186 L188 I207 D212 L213 W232 M236 S240	T186-I210 WeakPolarHBondContact O-CG1 3.49Å; L188-I210 HydrophobicContact CB-CD1 3.62Å; I207-I210 WeakPolarHBondContact O-CB 3.48Å; I207-I210 VanDerWaalsContact O-CG2 3.24Å; I207-I210 WeakPolarHBondContact O-CG2 3.5Å; I207-I210 PolarHBondContact O-N 3.12Å; I207-I210 VanDerWaalsContact O-N 3.09Å; I210-D212 WeakPolarHBondContact CD1-O 3.39Å; I210-D212 VanDerWaalsContact CG1-O 3.26Å; I210-D212 WeakPolarHBondContact CG1-O 3.05Å; I210-L213 HydrophobicContact CD1-CB 3.86Å; I210-L213 HydrophobicContact CD1-CD1 3.97Å; I210-L213 HydrophobicContact CD1-CG 4.35Å; I210-L213 HydrophobicContact CG1-CB 4.25Å; I210-L213 HydrophobicContact CG2-CB 4.33Å; I210-W232 HydrophobicContact CG2-CH2 3.87Å; I210-W232 HydrophobicContact CG2-CZ2 4.13Å; I210-M236 HydrophobicContact CG2-CE 3.63Å; I210-S240 WeakPolarHBondContact O-CB 3.15Å; I210-S240 PolarHBondContact O-OG 2.66Å
211	L	72.5	Confident	84.2	Confident	38 Å²	38	37 Å²	37	20%	0.199	19%	0.185	C	C	.	.	S	Bend	trans	-98.9	-30.3	-179	-60.2	175	0	0	0	112	T186 S240 I241 R485 M539	T186-L211 WeakPolarHBondContact O-CB 3.5Å; T186-L211 PolarHBondContact O-N 3.29Å; L211-S240 WeakPolarHBondContact O-CA 3.34Å; L211-I241 PolarHBondContact O-N 3.09Å; L211-R485 PolarHBondContact O-NH2 2.92Å; L211-M539 HydrophobicContact CD1-CE 3.76Å; L211-M539 HydrophobicContact CD2-CE 4.47Å
212	D	76	Confident	84.5	Confident	15 Å²	15	31.8 Å²	31.8	8%	0.08	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	125	173.5	-151	-49.8	0	0	0	111.7	T186 H187 L188 I210 Q214 I241 R485	T186-D212 PolarHBondContact O-N 2.9Å; H187-D212 WeakPolarHBondContact CA-O 3.23Å; H187-D212 VanDerWaalsContact CD2-CB 3.46Å; H187-D212 WeakPolarHBondContact CD2-CB 3.46Å; L188-D212 PolarHBondContact N-O 2.9Å; I210-D212 WeakPolarHBondContact CD1-O 3.39Å; I210-D212 VanDerWaalsContact CG1-O 3.26Å; I210-D212 WeakPolarHBondContact CG1-O 3.05Å; D212-Q214 PolarHBondContact OD1-NE2 2.8Å; D212-I241 WeakPolarHBondContact CA-O 3.48Å; D212-R485 IonicContact OD2-CZ 2.72Å; D212-R485 IonicContact OD2-NH1 2.77Å; D212-R485 PolarHBondContact OD2-NH1 3.4Å; D212-R485 IonicContact OD2-NH2 2.67Å
213	L	88.2	Confident	84.9	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	98	178.9	178	59	0	0	0	110	L188 I207 I210 L215 W232 I241 I242 G243	L188-L213 HydrophobicContact CB-CD1 3.91Å; L188-L213 HydrophobicContact CD2-CD1 3.89Å; L188-L213 HydrophobicContact CG-CD1 3.98Å; L188-L213 WeakPolarHBondContact O-CA 3.41Å; I207-L213 HydrophobicContact CD1-CD2 3.94Å; I210-L213 HydrophobicContact CD1-CB 3.86Å; I210-L213 HydrophobicContact CD1-CD1 3.97Å; I210-L213 HydrophobicContact CD1-CG 4.35Å; I210-L213 HydrophobicContact CG1-CB 4.25Å; I210-L213 HydrophobicContact CG2-CB 4.33Å; L213-L215 HydrophobicContact CD1-CD2 3.94Å; L213-L215 HydrophobicContact CD1-CG 4.34Å; L213-L215 HydrophobicContact CD2-CD1 4.03Å; L213-L215 HydrophobicContact CD2-CD2 4.5Å; L213-L215 HydrophobicContact CD2-CG 4.42Å; L213-L215 HydrophobicContact CG-CD1 4.03Å; L213-L215 HydrophobicContact CG-CD2 4.03Å; L213-L215 HydrophobicContact CG-CG 3.9Å; L213-W232 HydrophobicContact CD2-CH2 3.49Å; L213-W232 VanDerWaalsContact CD2-CH2 3.49Å; L213-W232 HydrophobicContact CD2-CZ3 3.67Å; L213-I241 PolarHBondContact N-O 2.7Å; L213-I241 VanDerWaalsContact N-O 3.07Å; L213-I242 HydrophobicContact CB-CG1 4.37Å; L213-I242 HydrophobicContact CB-CG2 4.16Å; L213-I242 HydrophobicContact CD2-CG2 4.25Å; L213-I242 HydrophobicContact CG-CG2 4.29Å; L213-I242 CarbonylContact O-C 3.48Å; L213-I242 WeakPolarHBondContact O-CA 3.45Å; L213-G243 PolarHBondContact O-N 2.97Å
214	Q	82.6	Confident	84.8	Confident	20 Å²	20	37.1 Å²	37.1	9%	0.093	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.3	-178.9	-58.1	-70.8	-62.3	0	0	110.5	L188 D189 L190 R191 D212	L188-Q214 PolarHBondContact O-N 3.34Å; D189-Q214 HydrophobicContact CB-CB 4.49Å; L190-Q214 PolarHBondContact N-O 2.8Å; L190-Q214 VanDerWaalsContact N-O 3.12Å; R191-Q214 HydrophobicContact CG-CB 3.63Å; D212-Q214 PolarHBondContact OD1-NE2 2.8Å
215	L	89.1	Confident	84.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.211	C	C	.	.			trans	-133.3	5	-169.2	-64.5	176.9	0	0	0	113.7	L190 L198 L213 W220 I242 V245	L190-L215 HydrophobicContact CB-CD2 4.48Å; L190-L215 HydrophobicContact CD1-CD2 4.16Å; L198-L215 HydrophobicContact CD1-CD2 4.04Å; L213-L215 HydrophobicContact CD1-CD2 3.94Å; L213-L215 HydrophobicContact CD1-CG 4.34Å; L213-L215 HydrophobicContact CD2-CD1 4.03Å; L213-L215 HydrophobicContact CD2-CD2 4.5Å; L213-L215 HydrophobicContact CD2-CG 4.42Å; L213-L215 HydrophobicContact CG-CD1 4.03Å; L213-L215 HydrophobicContact CG-CD2 4.03Å; L213-L215 HydrophobicContact CG-CG 3.9Å; L215-W220 HydrophobicContact CB-CZ2 4Å; L215-W220 HydrophobicContact CD2-CH2 4.24Å; L215-W220 HydrophobicContact CD2-CZ2 3.93Å; L215-W220 HydrophobicContact CG-CZ2 4.41Å; L215-W220 PolarHBondContact O-NE1 2.99Å; L215-I242 HydrophobicContact CD1-CG2 4.01Å; L215-V245 HydrophobicContact CB-CG2 3.94Å; L215-V245 HydrophobicContact CD1-CG2 3.6Å; L215-V245 HydrophobicContact CG-CG2 4.44Å
216	E	83.8	Confident	85.1	Confident	8 Å²	8	37.6 Å²	37.6	4%	0.037	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	157.9	-179.5	-79.7	80.8	170.3	0	0	113.3	R191 G192 N218 G243 D244 K414	R191-E216 WeakPolarHBondContact CA-O 3.18Å; R191-E216 HydrophobicContact CG-CB 4.14Å; G192-E216 PolarHBondContact N-O 2.71Å; E216-N218 PolarHBondContact O-N 2.97Å; E216-N218 PolarHBondContact O-ND2 2.66Å; E216-G243 WeakPolarHBondContact OE1-CA 3.37Å; E216-G243 WeakPolarHBondContact OE2-CA 3.49Å; E216-D244 VanDerWaalsContact CD-N 3.33Å; E216-D244 PolarHBondContact OE1-N 3.37Å; E216-K414 IonicContact OE1-NZ 3.95Å; E216-K414 PolarHBondContact OE1-NZ 3.05Å
217	D	82.2	Confident	85.2	Confident	49 Å²	49	36.3 Å²	36.3	26%	0.262	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	32.4	166	-63.7	-50.6	0	0	0	114.9	K366	D217-K366 IonicContact OD1-NZ 3.02Å; D217-K366 PolarHBondContact OD1-NZ 3.12Å; D217-K366 IonicContact OD2-NZ 2.63Å; D217-K366 PolarHBondContact OD2-NZ 3.03Å
218	N	89.9	Confident	85.3	Confident	12 Å²	12	40.7 Å²	40.7	6%	0.064	21%	0.207	C	C	.	.			trans	-101.4	169.2	171.8	-87.9	-95.2	0	0	0	112.8	L190 N193 L195 E216 W220	L190-N218 PolarHBondContact O-ND2 3.07Å; N193-N218 WeakPolarHBondContact CA-OD1 3.23Å; N193-N218 WeakPolarHBondContact CB-OD1 3.46Å; N193-N218 WeakPolarHBondContact O-CA 3.45Å; N193-N218 PolarHBondContact O-OD1 3.24Å; L195-N218 HydrophobicContact CB-CB 4.37Å; L195-N218 WeakPolarHBondContact CB-OD1 3.47Å; L195-N218 VanDerWaalsContact CG-OD1 3.26Å; L195-N218 WeakPolarHBondContact CG-OD1 3.4Å; L195-N218 PolarHBondContact N-OD1 2.83Å; E216-N218 PolarHBondContact O-N 2.97Å; E216-N218 PolarHBondContact O-ND2 2.66Å; N218-W220 VanDerWaalsContact C-N 3.33Å; N218-W220 HydrophobicContact CB-CD2 4.26Å; N218-W220 HydrophobicContact CB-CG 4.43Å; N218-W220 HydrophobicContact CB-CZ2 3.85Å; N218-W220 PolarHBondContact O-N 2.73Å
219	K	89.8	Confident	86.1	Confident	91 Å²	91	38.8 Å²	38.8	40%	0.396	19%	0.187	S	C	.	.			trans	-89.7	30.6	-173.9	-79.9	178.4	174.5	155	0	115.2	Q194 L195 Q196 A221 N248	Q194-K219 HydrophobicContact CB-CD 4.24Å; Q194-K219 VanDerWaalsContact OE1-CD 3.32Å; L195-K219 CarbonylContact O-C 3.59Å; L195-K219 WeakPolarHBondContact O-CA 3.47Å; L195-K219 PolarHBondContact O-N 3.19Å; Q196-K219 HydrophobicContact CG-CB 4.31Å; K219-A221 PolarHBondContact O-N 2.76Å; K219-N248 WeakPolarHBondContact CB-ND2 3.38Å; K219-N248 WeakPolarHBondContact O-CB 3.34Å; K219-N248 PolarHBondContact O-ND2 3.26Å
220	W	93.2	Very high	86.6	Confident	1 Å²	1	28.4 Å²	28.4	0%	0.004	15%	0.148	C	C	.	.			trans	-41.4	121.5	-173.5	-60.1	116.8	0	0	0	116.3	L195 L198 L215 N218 C222 L226 L229 V245 N248 S249	L195-W220 HydrophobicContact CB-CH2 3.68Å; L195-W220 HydrophobicContact CB-CZ2 4.25Å; L195-W220 HydrophobicContact CB-CZ3 3.86Å; L195-W220 HydrophobicContact CD1-CH2 3.91Å; L195-W220 HydrophobicContact CD1-CZ2 4.41Å; L195-W220 HydrophobicContact CG-CH2 4.46Å; L195-W220 PolarHBondContact O-N 3.43Å; L195-W220 VanDerWaalsContact O-N 3.09Å; L198-W220 HydrophobicContact CD1-CH2 3.88Å; L198-W220 HydrophobicContact CD1-CZ3 4.37Å; L198-W220 HydrophobicContact CD2-CH2 4.34Å; L198-W220 HydrophobicContact CG-CH2 3.77Å; L198-W220 HydrophobicContact CG-CZ3 3.85Å; L215-W220 HydrophobicContact CB-CZ2 4Å; L215-W220 HydrophobicContact CD2-CH2 4.24Å; L215-W220 HydrophobicContact CD2-CZ2 3.93Å; L215-W220 HydrophobicContact CG-CZ2 4.41Å; L215-W220 PolarHBondContact O-NE1 2.99Å; N218-W220 VanDerWaalsContact C-N 3.33Å; N218-W220 HydrophobicContact CB-CD2 4.26Å; N218-W220 HydrophobicContact CB-CG 4.43Å; N218-W220 HydrophobicContact CB-CZ2 3.85Å; N218-W220 PolarHBondContact O-N 2.73Å; W220-C222 PolarHBondContact O-N 3.07Å; W220-L226 HydrophobicContact CB-CD2 4.23Å; W220-L226 HydrophobicContact CE3-CD1 3.92Å; W220-L226 HydrophobicContact CZ3-CD1 4.43Å; W220-L229 HydrophobicContact CZ3-CD2 4.44Å; W220-V245 HydrophobicContact CB-CG1 4.26Å; W220-V245 HydrophobicContact CD2-CG1 3.96Å; W220-V245 HydrophobicContact CG-CG1 3.69Å; W220-N248 WeakPolarHBondContact O-CA 3.12Å; W220-N248 WeakPolarHBondContact O-CB 3.36Å; W220-N248 PolarHBondContact O-N 2.77Å; W220-S249 PolarHBondContact O-N 2.92Å; W220-S249 VanDerWaalsContact O-N 3.15Å
221	A	91.3	Very high	86.7	Confident	11 Å²	11	31 Å²	31	9%	0.091	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-93.5	94	174.8	0	0	0	0	0	110	Q196 K219 N223 L226 S249	Q196-A221 HydrophobicContact CB-CB 4.24Å; Q196-A221 PolarHBondContact O-N 3.2Å; K219-A221 PolarHBondContact O-N 2.76Å; A221-N223 PolarHBondContact O-N 2.73Å; A221-N223 PolarHBondContact O-OD1 3.31Å; A221-L226 WeakPolarHBondContact O-CB 3.22Å; A221-S249 WeakPolarHBondContact CA-OG 3.49Å; A221-S249 WeakPolarHBondContact CB-OG 3.45Å
222	C	90.1	Very high	87.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	67.3	-178.9	-71.1	0	0	0	0	112.1	W220 L226 C247 S249 P250 I253 L266	W220-C222 PolarHBondContact O-N 3.07Å; C222-L226 HydrophobicContact CB-CD2 4.25Å; C222-L226 VanDerWaalsContact SG-CD2 3.51Å; C222-C247 HydrophobicContact CB-CB 3.71Å; C222-C247 WeakPolarHBondContact CB-SG 3.02Å; C222-C247 WeakPolarHBondContact SG-CA 3.35Å; C222-C247 WeakPolarHBondContact SG-CB 3.38Å; C222-C247 CovalentContact SG-SG 2.02Å; C222-C247 PolarHBondContact SG-SG 3.45Å; C222-S249 WeakPolarHBondContact CB-O 3.43Å; C222-S249 PolarHBondContact N-O 2.89Å; C222-P250 WeakPolarHBondContact O-CD 3Å; C222-I253 HydrophobicContact CB-CD1 3.8Å; C222-I253 HydrophobicContact CB-CG1 4.44Å; C222-I253 WeakPolarHBondContact O-CD1 3.25Å; C222-L266 HydrophobicContact CB-CD2 3.55Å; C222-L266 WeakPolarHBondContact O-CD2 3.45Å
223	N	88.4	Confident	87.9	Confident	57 Å²	57	31.3 Å²	31.3	31%	0.305	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-160.3	173.9	69.4	-3.7	0	0	0	110.4	A221 D225 L226 L266	A221-N223 PolarHBondContact O-N 2.73Å; A221-N223 PolarHBondContact O-OD1 3.31Å; N223-D225 PolarHBondContact ND2-OD2 3.23Å; N223-D225 PolarHBondContact O-N 3.08Å; N223-D225 VanDerWaalsContact OD1-CB 3.29Å; N223-D225 WeakPolarHBondContact OD1-CB 3.28Å; N223-D225 PolarHBondContact OD1-N 2.89Å; N223-D225 PolarHBondContact OD1-OD2 3.11Å; N223-L226 PolarHBondContact O-N 3.48Å; N223-L226 PolarHBondContact OD1-N 3.48Å; N223-L266 CarbonylContact C-O 3.17Å; N223-L266 VanDerWaalsContact C-O 3.25Å
224	C	87.4	Confident	87.7	Confident	57 Å²	57	35.5 Å²	35.5	39%	0.385	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-29.5	174.1	-66	0	0	0	0	114.1	L227 L266 C267	C224-L227 WeakPolarHBondContact O-CB 3.27Å; C224-L227 PolarHBondContact O-N 3.21Å; C224-L266 PolarHBondContact N-O 2.83Å; C224-C267 HydrophobicContact CB-CB 3.83Å; C224-C267 WeakPolarHBondContact CB-SG 3.46Å; C224-C267 WeakPolarHBondContact SG-CA 3.31Å; C224-C267 WeakPolarHBondContact SG-CB 3.21Å; C224-C267 CovalentContact SG-SG 2.05Å; C224-C267 PolarHBondContact SG-SG 3.12Å
225	D	86.6	Confident	87.7	Confident	100 Å²	100	40.5 Å²	40.5	54%	0.535	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-38.3	-175.2	-48.6	-41.6	0	0	0	110.7	N223 L227	N223-D225 PolarHBondContact ND2-OD2 3.23Å; N223-D225 PolarHBondContact O-N 3.08Å; N223-D225 VanDerWaalsContact OD1-CB 3.29Å; N223-D225 WeakPolarHBondContact OD1-CB 3.28Å; N223-D225 PolarHBondContact OD1-N 2.89Å; N223-D225 PolarHBondContact OD1-OD2 3.11Å; D225-L227 PolarHBondContact O-N 2.91Å
226	L	90.2	Very high	87.2	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-5.6	177	-149.9	73	0	0	0	113.6	W220 A221 C222 N223 Q228 L229 K230 V245 L258	W220-L226 HydrophobicContact CB-CD2 4.23Å; W220-L226 HydrophobicContact CE3-CD1 3.92Å; W220-L226 HydrophobicContact CZ3-CD1 4.43Å; A221-L226 WeakPolarHBondContact O-CB 3.22Å; C222-L226 HydrophobicContact CB-CD2 4.25Å; C222-L226 VanDerWaalsContact SG-CD2 3.51Å; N223-L226 PolarHBondContact O-N 3.48Å; N223-L226 PolarHBondContact OD1-N 3.48Å; L226-Q228 PolarHBondContact O-N 2.88Å; L226-L229 HydrophobicContact CD1-CB 4.2Å; L226-L229 HydrophobicContact CD1-CD2 3.7Å; L226-L229 HydrophobicContact CG-CB 4.28Å; L226-L229 HydrophobicContact CG-CD2 4.18Å; L226-L229 PolarHBondContact O-N 3.26Å; L226-K230 PolarHBondContact O-N 3.33Å; L226-V245 HydrophobicContact CD2-CG1 4.32Å; L226-L258 HydrophobicContact CD2-CD1 4.15Å; L226-L258 HydrophobicContact CD2-CD2 3.8Å; L226-L258 HydrophobicContact CG-CD2 3.96Å
227	L	87.9	Confident	86.5	Confident	37 Å²	37	43.7 Å²	43.7	19%	0.194	23%	0.228	C	C	.	.	H	α-helix	trans	-59.9	-34.9	175.9	-179.2	60.5	0	0	0	111.7	C224 D225 K230 I231 K263 L266 C267	C224-L227 WeakPolarHBondContact O-CB 3.27Å; C224-L227 PolarHBondContact O-N 3.21Å; D225-L227 PolarHBondContact O-N 2.91Å; L227-K230 WeakPolarHBondContact O-CB 3.38Å; L227-K230 PolarHBondContact O-N 2.82Å; L227-I231 HydrophobicContact CD1-CD1 4.27Å; L227-I231 HydrophobicContact CD1-CG1 4.49Å; L227-I231 HydrophobicContact CG-CD1 3.98Å; L227-I231 VanDerWaalsContact O-CG1 3.32Å; L227-I231 WeakPolarHBondContact O-CG1 3.22Å; L227-I231 PolarHBondContact O-N 3.49Å; L227-K263 HydrophobicContact CD1-CB 3.89Å; L227-K263 HydrophobicContact CD1-CD 4.46Å; L227-K263 HydrophobicContact CD1-CG 3.87Å; L227-L266 HydrophobicContact CD1-CD1 4.31Å; L227-C267 HydrophobicContact CD2-CB 4.08Å
228	Q	87.8	Confident	85.2	Confident	96 Å²	96	47.6 Å²	47.6	45%	0.449	26%	0.256	S	S	.	.	H	α-helix	trans	-70.7	-38.3	178.4	-58.8	-67.3	12.2	0	0	112.1	L226 K230 I231 W232	L226-Q228 PolarHBondContact O-N 2.88Å; Q228-K230 VanDerWaalsContact C-N 3.33Å; Q228-K230 PolarHBondContact O-N 3.38Å; Q228-I231 PolarHBondContact O-N 3.33Å; Q228-W232 WeakPolarHBondContact O-CB 3.19Å; Q228-W232 PolarHBondContact O-N 3.3Å
229	L	90.6	Very high	83.6	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.9	-43.5	171.1	179.6	63.4	0	0	0	110.6	L198 L204 W220 L226 I231 W232 L233 V245 L258	L198-L229 HydrophobicContact CB-CD1 4.46Å; L198-L229 HydrophobicContact CD1-CD1 4.19Å; L198-L229 HydrophobicContact CD1-CD2 4.37Å; L204-L229 HydrophobicContact CD1-CB 4.22Å; L204-L229 HydrophobicContact CD1-CD1 3.91Å; L204-L229 HydrophobicContact CD2-CD1 3.89Å; W220-L229 HydrophobicContact CZ3-CD2 4.44Å; L226-L229 HydrophobicContact CD1-CB 4.2Å; L226-L229 HydrophobicContact CD1-CD2 3.7Å; L226-L229 HydrophobicContact CG-CB 4.28Å; L226-L229 HydrophobicContact CG-CD2 4.18Å; L226-L229 PolarHBondContact O-N 3.26Å; L229-I231 PolarHBondContact O-N 2.99Å; L229-W232 HydrophobicContact CD1-CE3 4.1Å; L229-W232 PolarHBondContact O-N 3.4Å; L229-L233 HydrophobicContact CD1-CG 4.31Å; L229-L233 HydrophobicContact CG-CD1 4.16Å; L229-L233 HydrophobicContact CG-CG 4.39Å; L229-L233 WeakPolarHBondContact O-CB 3.43Å; L229-L233 VanDerWaalsContact O-CG 3.24Å; L229-L233 WeakPolarHBondContact O-CG 3.44Å; L229-L233 PolarHBondContact O-N 3.25Å; L229-V245 HydrophobicContact CD2-CG1 4.36Å; L229-V245 HydrophobicContact CD2-CG2 4.32Å; L229-L258 HydrophobicContact CD2-CD2 4.27Å; L229-L258 HydrophobicContact CG-CD2 4.29Å
230	K	87.4	Confident	82.6	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.017	26%	0.258	C	S	.	.	H	α-helix	trans	-57.9	-47.1	174.1	177.8	172.2	175.2	55.4	0	112.5	L226 L227 Q228 W232 L233 E234 L258 S259 L261 K263 L266	L226-K230 PolarHBondContact O-N 3.33Å; L227-K230 WeakPolarHBondContact O-CB 3.38Å; L227-K230 PolarHBondContact O-N 2.82Å; Q228-K230 VanDerWaalsContact C-N 3.33Å; Q228-K230 PolarHBondContact O-N 3.38Å; K230-W232 VanDerWaalsContact C-N 3.31Å; K230-W232 PolarHBondContact O-N 2.95Å; K230-L233 PolarHBondContact O-N 3.21Å; K230-E234 WeakPolarHBondContact CE-OE1 3.26Å; K230-E234 WeakPolarHBondContact CG-OE1 3.48Å; K230-E234 IonicContact NZ-OE1 2.65Å; K230-E234 PolarHBondContact NZ-OE1 3.43Å; K230-E234 WeakPolarHBondContact O-CG 3.29Å; K230-E234 PolarHBondContact O-N 3.14Å; K230-L258 HydrophobicContact CB-CD1 4.06Å; K230-L258 HydrophobicContact CB-CD2 4.05Å; K230-L258 HydrophobicContact CB-CG 3.89Å; K230-L258 HydrophobicContact CD-CD1 4.25Å; K230-L258 HydrophobicContact CD-CG 4.49Å; K230-L258 HydrophobicContact CG-CG 4.33Å; K230-L258 PolarHBondContact NZ-O 3Å; K230-S259 PolarHBondContact NZ-O 2.97Å; K230-L261 WeakPolarHBondContact CE-O 3.45Å; K230-L261 PolarHBondContact NZ-O 3.22Å; K230-K263 HydrophobicContact CD-CG 4.31Å; K230-L266 HydrophobicContact CB-CD1 4.31Å; K230-L266 HydrophobicContact CD-CD1 3.34Å; K230-L266 HydrophobicContact CG-CD1 4.46Å
231	I	85.4	Confident	81.3	Confident	56 Å²	56	49.5 Å²	49.5	29%	0.287	27%	0.269	S	S	.	.	H	α-helix	trans	-64.5	-38.9	179.8	-68.8	165.1	0	0	0	110.6	L227 Q228 L229 E234 N235 K263	L227-I231 HydrophobicContact CD1-CD1 4.27Å; L227-I231 HydrophobicContact CD1-CG1 4.49Å; L227-I231 HydrophobicContact CG-CD1 3.98Å; L227-I231 VanDerWaalsContact O-CG1 3.32Å; L227-I231 WeakPolarHBondContact O-CG1 3.22Å; L227-I231 PolarHBondContact O-N 3.49Å; Q228-I231 PolarHBondContact O-N 3.33Å; L229-I231 PolarHBondContact O-N 2.99Å; I231-E234 PolarHBondContact O-N 2.77Å; I231-N235 PolarHBondContact O-N 3.05Å; I231-N235 PolarHBondContact O-ND2 2.65Å; I231-K263 HydrophobicContact CG1-CD 4.49Å
232	W	89.1	Confident	80.8	Confident	21 Å²	21	50.9 Å²	50.9	8%	0.08	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-51.5	174.3	-176.8	90.4	0	0	0	111.3	L204 I207 I210 L213 Q228 L229 K230 E234 N235 M236 I242	L204-W232 HydrophobicContact CB-CD2 4.4Å; L204-W232 HydrophobicContact CB-CG 4.11Å; L204-W232 HydrophobicContact CD1-CB 4.04Å; L204-W232 HydrophobicContact CD1-CD2 4.47Å; L204-W232 HydrophobicContact CD1-CG 4.1Å; L204-W232 HydrophobicContact CD2-CD2 4.03Å; L204-W232 HydrophobicContact CD2-CE3 4.21Å; L204-W232 HydrophobicContact CD2-CG 4.44Å; L204-W232 HydrophobicContact CD2-CZ2 4.44Å; L204-W232 HydrophobicContact CG-CG 4.45Å; L204-W232 PolarHBondContact O-NE1 2.87Å; L204-W232 VanDerWaalsContact O-NE1 3.14Å; I207-W232 HydrophobicContact CD1-CH2 4.19Å; I207-W232 HydrophobicContact CD1-CZ2 4.12Å; I207-W232 HydrophobicContact CG1-CZ2 4.02Å; I210-W232 HydrophobicContact CG2-CH2 3.87Å; I210-W232 HydrophobicContact CG2-CZ2 4.13Å; L213-W232 HydrophobicContact CD2-CH2 3.49Å; L213-W232 VanDerWaalsContact CD2-CH2 3.49Å; L213-W232 HydrophobicContact CD2-CZ3 3.67Å; Q228-W232 WeakPolarHBondContact O-CB 3.19Å; Q228-W232 PolarHBondContact O-N 3.3Å; L229-W232 HydrophobicContact CD1-CE3 4.1Å; L229-W232 PolarHBondContact O-N 3.4Å; K230-W232 VanDerWaalsContact C-N 3.31Å; K230-W232 PolarHBondContact O-N 2.95Å; W232-E234 VanDerWaalsContact C-N 3.27Å; W232-E234 PolarHBondContact O-N 2.96Å; W232-N235 CarbonylContact O-C 3.48Å; W232-N235 PolarHBondContact O-N 2.83Å; W232-M236 HydrophobicContact CD2-CG 3.97Å; W232-M236 HydrophobicContact CD2-SD 4.21Å; W232-M236 HydrophobicContact CE3-CG 3.91Å; W232-M236 HydrophobicContact CH2-CE 3.79Å; W232-M236 HydrophobicContact CH2-CG 3.98Å; W232-M236 HydrophobicContact CH2-SD 3.86Å; W232-M236 HydrophobicContact CZ2-CE 3.8Å; W232-M236 HydrophobicContact CZ2-CG 4.06Å; W232-M236 HydrophobicContact CZ2-SD 3.47Å; W232-M236 WeakPolarHBondContact CZ2-SD 3.18Å; W232-M236 HydrophobicContact CZ3-CG 3.91Å; W232-M236 HydrophobicContact CZ3-SD 4.4Å; W232-M236 WeakPolarHBondContact O-CG 3.34Å; W232-M236 PolarHBondContact O-N 3.12Å; W232-M236 VanDerWaalsContact O-N 3.16Å; W232-I242 HydrophobicContact CH2-CD1 4.33Å; W232-I242 HydrophobicContact CZ3-CD1 3.96Å
233	L	86	Confident	80	Confident	37 Å²	37	51.2 Å²	51.2	19%	0.194	28%	0.277	C	S	.	.	H	α-helix	trans	-54.8	-39.4	176.4	-69.2	171.2	0	0	0	113.1	L229 K230 N235 I242 V245 L258	L229-L233 HydrophobicContact CD1-CG 4.31Å; L229-L233 HydrophobicContact CG-CD1 4.16Å; L229-L233 HydrophobicContact CG-CG 4.39Å; L229-L233 WeakPolarHBondContact O-CB 3.43Å; L229-L233 VanDerWaalsContact O-CG 3.24Å; L229-L233 WeakPolarHBondContact O-CG 3.44Å; L229-L233 PolarHBondContact O-N 3.25Å; K230-L233 PolarHBondContact O-N 3.21Å; L233-N235 PolarHBondContact O-N 3.1Å; L233-I242 HydrophobicContact CD2-CB 4.17Å; L233-I242 HydrophobicContact CD2-CD1 3.96Å; L233-I242 HydrophobicContact CD2-CG2 3.42Å; L233-I242 VanDerWaalsContact CD2-CG2 3.42Å; L233-V245 HydrophobicContact CD1-CG2 4.1Å; L233-L258 HydrophobicContact CD1-CD2 3.99Å
234	E	83.4	Confident	79.5	Confident	88 Å²	88	50.9 Å²	50.9	41%	0.411	28%	0.276	S	S	.	.	H	α-helix	trans	-70.2	-15.9	178.2	-75.4	173.1	-169.4	0	0	114.3	K230 I231 W232 K263	K230-E234 WeakPolarHBondContact CE-OE1 3.26Å; K230-E234 WeakPolarHBondContact CG-OE1 3.48Å; K230-E234 IonicContact NZ-OE1 2.65Å; K230-E234 PolarHBondContact NZ-OE1 3.43Å; K230-E234 WeakPolarHBondContact O-CG 3.29Å; K230-E234 PolarHBondContact O-N 3.14Å; I231-E234 PolarHBondContact O-N 2.77Å; W232-E234 VanDerWaalsContact C-N 3.27Å; W232-E234 PolarHBondContact O-N 2.96Å; E234-K263 WeakPolarHBondContact OE2-CE 3.21Å; E234-K263 IonicContact OE2-NZ 3.85Å; E234-K263 PolarHBondContact OE2-NZ 3.04Å
235	N	82.8	Confident	79.4	Confident	125 Å²	125	48.3 Å²	48.3	67%	0.668	26%	0.258	S	S	*	.	H	α-helix	trans	-113.3	3.6	-179.2	-70.7	-82.4	0	0	0	113.4	I231 W232 L233	I231-N235 PolarHBondContact O-N 3.05Å; I231-N235 PolarHBondContact O-ND2 2.65Å; W232-N235 CarbonylContact O-C 3.48Å; W232-N235 PolarHBondContact O-N 2.83Å; L233-N235 PolarHBondContact O-N 3.1Å
236	M	78.4	Confident	79.3	Confident	30 Å²	30	45.6 Å²	45.6	15%	0.148	25%	0.245	C	C	.	.	S	Bend	trans	-71.5	150.6	179.9	-82.5	-64.9	-73.8	0	0	112.3	I210 W232 I242	I210-M236 HydrophobicContact CG2-CE 3.63Å; W232-M236 HydrophobicContact CD2-CG 3.97Å; W232-M236 HydrophobicContact CD2-SD 4.21Å; W232-M236 HydrophobicContact CE3-CG 3.91Å; W232-M236 HydrophobicContact CH2-CE 3.79Å; W232-M236 HydrophobicContact CH2-CG 3.98Å; W232-M236 HydrophobicContact CH2-SD 3.86Å; W232-M236 HydrophobicContact CZ2-CE 3.8Å; W232-M236 HydrophobicContact CZ2-CG 4.06Å; W232-M236 HydrophobicContact CZ2-SD 3.47Å; W232-M236 WeakPolarHBondContact CZ2-SD 3.18Å; W232-M236 HydrophobicContact CZ3-CG 3.91Å; W232-M236 HydrophobicContact CZ3-SD 4.4Å; W232-M236 WeakPolarHBondContact O-CG 3.34Å; W232-M236 PolarHBondContact O-N 3.12Å; W232-M236 VanDerWaalsContact O-N 3.16Å; M236-I242 HydrophobicContact CB-CD1 3.68Å; M236-I242 HydrophobicContact CE-CD1 4.11Å; M236-I242 HydrophobicContact CG-CD1 3.65Å
237	P	68.2	Low	79.1	Confident	46 Å²	46	45.7 Å²	45.7	30%	0.299	25%	0.246	S	C	.	.			trans	-63.6	144.5	-179.5	-20.8	33.7	0	0	0	112.5	Q239 S240	P237-Q239 HydrophobicContact CB-CG 4.33Å; P237-Q239 VanDerWaalsContact CB-OE1 3.23Å; P237-Q239 PolarHBondContact O-N 3.14Å; P237-Q239 VanDerWaalsContact O-N 3.11Å; P237-S240 WeakPolarHBondContact O-CB 3.22Å; P237-S240 PolarHBondContact O-N 3.3Å
238	P	55.9	Low	79.1	Confident	130 Å²	130	46.3 Å²	46.3	84%	0.844	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.5	-175.8	28.1	-36.4	0	0	0	114.7
239	Q	56.3	Low	78.8	Confident	84 Å²	84	43.6 Å²	43.6	39%	0.393	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-15.7	171.9	66.9	-86.9	21.9	0	0	114	P237 V509	P237-Q239 HydrophobicContact CB-CG 4.33Å; P237-Q239 VanDerWaalsContact CB-OE1 3.23Å; P237-Q239 PolarHBondContact O-N 3.14Å; P237-Q239 VanDerWaalsContact O-N 3.11Å; Q239-V509 HydrophobicContact CB-CG1 4.26Å
240	S	68.8	Low	78.5	Confident	18 Å²	18	46.1 Å²	46.1	13%	0.126	26%	0.257	C	S	.	.			trans	-82.6	119	177	-59.8	0	0	0	0	109.9	I210 L211 P237	I210-S240 WeakPolarHBondContact O-CB 3.15Å; I210-S240 PolarHBondContact O-OG 2.66Å; L211-S240 WeakPolarHBondContact O-CA 3.34Å; P237-S240 WeakPolarHBondContact O-CB 3.22Å; P237-S240 PolarHBondContact O-N 3.3Å
241	I	65.3	Low	78.2	Confident	42 Å²	42	51.2 Å²	51.2	22%	0.215	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	132.5	168	-68.9	-166	0	0	0	108.6	L211 D212 L213 V462 R485	L211-I241 PolarHBondContact O-N 3.09Å; D212-I241 WeakPolarHBondContact CA-O 3.48Å; L213-I241 PolarHBondContact N-O 2.7Å; L213-I241 VanDerWaalsContact N-O 3.07Å; I241-V462 HydrophobicContact CD1-CG2 4.29Å; I241-R485 HydrophobicContact CD1-CG 4.08Å
242	I	81.3	Confident	77.9	Confident	41 Å²	41	54.6 Å²	54.6	21%	0.21	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	132.7	-178.4	-52.9	165.1	0	0	0	108.2	L213 L215 W232 L233 M236	L213-I242 HydrophobicContact CB-CG1 4.37Å; L213-I242 HydrophobicContact CB-CG2 4.16Å; L213-I242 HydrophobicContact CD2-CG2 4.25Å; L213-I242 HydrophobicContact CG-CG2 4.29Å; L213-I242 CarbonylContact O-C 3.48Å; L213-I242 WeakPolarHBondContact O-CA 3.45Å; L215-I242 HydrophobicContact CD1-CG2 4.01Å; W232-I242 HydrophobicContact CH2-CD1 4.33Å; W232-I242 HydrophobicContact CZ3-CD1 3.96Å; L233-I242 HydrophobicContact CD2-CB 4.17Å; L233-I242 HydrophobicContact CD2-CD1 3.96Å; L233-I242 HydrophobicContact CD2-CG2 3.42Å; L233-I242 VanDerWaalsContact CD2-CG2 3.42Å; M236-I242 HydrophobicContact CB-CD1 3.68Å; M236-I242 HydrophobicContact CE-CD1 4.11Å; M236-I242 HydrophobicContact CG-CD1 3.65Å
243	G	72	Confident	77.5	Confident	6 Å²	6	54.6 Å²	54.6	6%	0.062	32%	0.315	C	S	.	.			trans	-62.2	153.9	-175.4	0	0	0	0	0	114.5	L213 E216 V245	L213-G243 PolarHBondContact O-N 2.97Å; E216-G243 WeakPolarHBondContact OE1-CA 3.37Å; E216-G243 WeakPolarHBondContact OE2-CA 3.49Å; G243-V245 PolarHBondContact O-N 2.96Å
244	D	78.6	Confident	77.1	Confident	51 Å²	51	55.3 Å²	55.3	27%	0.273	32%	0.317	S	S	.	.			trans	-68.6	100.9	179.9	-75.2	-68.6	0	0	0	111.3	E216 V246 I257 K414	E216-D244 VanDerWaalsContact CD-N 3.33Å; E216-D244 PolarHBondContact OE1-N 3.37Å; D244-V246 HydrophobicContact CB-CG2 4.45Å; D244-V246 PolarHBondContact O-N 2.96Å; D244-I257 HydrophobicContact CB-CG2 4.47Å; D244-K414 IonicContact OD2-NZ 2.69Å; D244-K414 PolarHBondContact OD2-NZ 3.15Å
245	V	85.8	Confident	76.6	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.018	30%	0.301	C	S	.	.			trans	-69.3	97.7	171.8	-180	0	0	0	0	109.8	L215 W220 L226 L229 L233 G243 L258	L215-V245 HydrophobicContact CB-CG2 3.94Å; L215-V245 HydrophobicContact CD1-CG2 3.6Å; L215-V245 HydrophobicContact CG-CG2 4.44Å; W220-V245 HydrophobicContact CB-CG1 4.26Å; W220-V245 HydrophobicContact CD2-CG1 3.96Å; W220-V245 HydrophobicContact CG-CG1 3.69Å; L226-V245 HydrophobicContact CD2-CG1 4.32Å; L229-V245 HydrophobicContact CD2-CG1 4.36Å; L229-V245 HydrophobicContact CD2-CG2 4.32Å; L233-V245 HydrophobicContact CD1-CG2 4.1Å; G243-V245 PolarHBondContact O-N 2.96Å; V245-L258 HydrophobicContact CB-CB 3.96Å; V245-L258 HydrophobicContact CB-CD2 4.23Å; V245-L258 HydrophobicContact CG1-CB 3.87Å; V245-L258 HydrophobicContact CG1-CD2 3.69Å; V245-L258 HydrophobicContact CG1-CG 4.42Å; V245-L258 WeakPolarHBondContact O-CB 3.41Å; V245-L258 PolarHBondContact O-N 3.1Å
246	V	84.8	Confident	76.3	Confident	42 Å²	42	47 Å²	47	26%	0.255	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-94.5	124.1	178.1	-178.9	0	0	0	0	110.8	D244 N248 I257	D244-V246 HydrophobicContact CB-CG2 4.45Å; D244-V246 PolarHBondContact O-N 2.96Å; V246-N248 PolarHBondContact O-N 2.95Å; V246-I257 HydrophobicContact CG2-CG1 4.38Å
247	C	85.8	Confident	76.2	Confident	3 Å²	3	47 Å²	47	2%	0.02	28%	0.28	C	S	.	.			trans	-64.7	127.2	-179.2	-60.6	0	0	0	0	113	C222 I253 K254 G255 S256 L261	C222-C247 HydrophobicContact CB-CB 3.71Å; C222-C247 WeakPolarHBondContact CB-SG 3.02Å; C222-C247 WeakPolarHBondContact SG-CA 3.35Å; C222-C247 WeakPolarHBondContact SG-CB 3.38Å; C222-C247 CovalentContact SG-SG 2.02Å; C222-C247 PolarHBondContact SG-SG 3.45Å; C247-I253 WeakPolarHBondContact CB-O 3.43Å; C247-K254 CarbonylContact O-C 3.25Å; C247-K254 WeakPolarHBondContact O-CA 3.47Å; C247-G255 PolarHBondContact O-N 2.84Å; C247-S256 PolarHBondContact N-O 3.06Å; C247-S256 PolarHBondContact SG-O 2.97Å; C247-S256 VanDerWaalsContact SG-O 3.37Å; C247-L261 VanDerWaalsContact SG-CD1 3.57Å
248	N	88.1	Confident	77	Confident	49 Å²	49	44.9 Å²	44.9	26%	0.262	27%	0.266	S	S	.	.			trans	-97.6	-25.4	171.5	168	55.9	0	0	0	112.7	K219 W220 V246 K254	K219-N248 WeakPolarHBondContact CB-ND2 3.38Å; K219-N248 WeakPolarHBondContact O-CB 3.34Å; K219-N248 PolarHBondContact O-ND2 3.26Å; W220-N248 WeakPolarHBondContact O-CA 3.12Å; W220-N248 WeakPolarHBondContact O-CB 3.36Å; W220-N248 PolarHBondContact O-N 2.77Å; V246-N248 PolarHBondContact O-N 2.95Å; N248-K254 WeakPolarHBondContact O-CD 3.47Å; N248-K254 WeakPolarHBondContact O-CE 3.36Å; N248-K254 WeakPolarHBondContact O-CG 3.48Å; N248-K254 PolarHBondContact O-NZ 3.11Å; N248-K254 WeakPolarHBondContact OD1-CE 2.98Å; N248-K254 PolarHBondContact OD1-NZ 2.92Å
249	S	82.1	Confident	78.1	Confident	40 Å²	40	42.2 Å²	42.2	28%	0.28	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-147.1	166.2	171.6	81.2	0	0	0	0	110.2	W220 A221 C222	W220-S249 PolarHBondContact O-N 2.92Å; W220-S249 VanDerWaalsContact O-N 3.15Å; A221-S249 WeakPolarHBondContact CA-OG 3.49Å; A221-S249 WeakPolarHBondContact CB-OG 3.45Å; C222-S249 WeakPolarHBondContact CB-O 3.43Å; C222-S249 PolarHBondContact N-O 2.89Å
250	P	83.4	Confident	79.1	Confident	53 Å²	53	47.2 Å²	47.2	34%	0.344	27%	0.265	S	S	.	.	S	Bend	cis	-69.3	164.6	-12.5	31.4	-35.5	0	0	0	112.2	C222 V252 I253 K254	C222-P250 WeakPolarHBondContact O-CD 3Å; P250-V252 PolarHBondContact O-N 2.84Å; P250-I253 HydrophobicContact CG-CD1 4.31Å; P250-I253 HydrophobicContact CG-CG1 4.02Å; P250-I253 PolarHBondContact O-N 3.26Å; P250-K254 PolarHBondContact O-N 2.95Å; P250-K254 VanDerWaalsContact O-N 3.16Å
251	P	80	Confident	79.6	Confident	111 Å²	111	47.5 Å²	47.5	72%	0.721	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-26.1	-171.4	-28.2	36.1	0	0	0	116	I253	P251-I253 VanDerWaalsContact C-N 3.33Å; P251-I253 PolarHBondContact O-N 2.62Å
252	V	79.2	Confident	80.4	Confident	126 Å²	126	52.8 Å²	52.8	76%	0.764	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-32.7	-177.6	-177.4	0	0	0	0	112.7	P250	P250-V252 PolarHBondContact O-N 2.84Å
253	I	81.9	Confident	80.4	Confident	22 Å²	22	54.4 Å²	54.4	11%	0.113	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	9	-178.8	53.8	175.9	0	0	0	112.6	C222 C247 P250 P251 G255 S256 L261 L266	C222-I253 HydrophobicContact CB-CD1 3.8Å; C222-I253 HydrophobicContact CB-CG1 4.44Å; C222-I253 WeakPolarHBondContact O-CD1 3.25Å; C247-I253 WeakPolarHBondContact CB-O 3.43Å; P250-I253 HydrophobicContact CG-CD1 4.31Å; P250-I253 HydrophobicContact CG-CG1 4.02Å; P250-I253 PolarHBondContact O-N 3.26Å; P251-I253 VanDerWaalsContact C-N 3.33Å; P251-I253 PolarHBondContact O-N 2.62Å; I253-G255 PolarHBondContact O-N 3.27Å; I253-S256 WeakPolarHBondContact O-CB 3.43Å; I253-S256 PolarHBondContact O-N 3.15Å; I253-S256 PolarHBondContact O-OG 3.34Å; I253-L261 HydrophobicContact CB-CD1 4.4Å; I253-L261 HydrophobicContact CB-CD2 4.36Å; I253-L261 HydrophobicContact CD1-CD1 3.93Å; I253-L261 HydrophobicContact CG2-CD2 4.12Å; I253-L266 HydrophobicContact CD1-CD2 4.06Å
254	K	76.9	Confident	80.8	Confident	52 Å²	52	59.7 Å²	59.7	23%	0.226	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	131.4	175.3	-176.5	167.1	-159.9	150.9	0	111.2	C247 N248 P250 S256 H337	C247-K254 CarbonylContact O-C 3.25Å; C247-K254 WeakPolarHBondContact O-CA 3.47Å; N248-K254 WeakPolarHBondContact O-CD 3.47Å; N248-K254 WeakPolarHBondContact O-CE 3.36Å; N248-K254 WeakPolarHBondContact O-CG 3.48Å; N248-K254 PolarHBondContact O-NZ 3.11Å; N248-K254 WeakPolarHBondContact OD1-CE 2.98Å; N248-K254 PolarHBondContact OD1-NZ 2.92Å; P250-K254 PolarHBondContact O-N 2.95Å; P250-K254 VanDerWaalsContact O-N 3.16Å; K254-S256 VanDerWaalsContact C-N 3.34Å; K254-H337 WeakPolarHBondContact CE-CE1 3.43Å; K254-H337 VanDerWaalsContact CE-NE2 3.3Å; K254-H337 WeakPolarHBondContact CE-NE2 3.27Å
255	G	73.5	Confident	80.9	Confident	8 Å²	8	59.7 Å²	59.7	8%	0.082	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	-8.8	-176	0	0	0	0	0	114.7	C247 I253 S340	C247-G255 PolarHBondContact O-N 2.84Å; I253-G255 PolarHBondContact O-N 3.27Å; G255-S340 WeakPolarHBondContact CA-OG 3.36Å; G255-S340 PolarHBondContact O-OG 3.02Å
256	S	75.6	Confident	80.7	Confident	30 Å²	30	59.9 Å²	59.9	21%	0.21	32%	0.32	C	S	.	.			trans	-73.3	147.9	175.9	-51.4	0	0	0	0	111.6	C247 I253 K254	C247-S256 PolarHBondContact N-O 3.06Å; C247-S256 PolarHBondContact SG-O 2.97Å; C247-S256 VanDerWaalsContact SG-O 3.37Å; I253-S256 WeakPolarHBondContact O-CB 3.43Å; I253-S256 PolarHBondContact O-N 3.15Å; I253-S256 PolarHBondContact O-OG 3.34Å; K254-S256 VanDerWaalsContact C-N 3.34Å
257	I	77.3	Confident	80.7	Confident	31 Å²	31	59.7 Å²	59.7	16%	0.159	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-87.4	128.5	173.2	-52.8	177.2	0	0	0	109.1	D244 V246 S259 R260 L261	D244-I257 HydrophobicContact CB-CG2 4.47Å; V246-I257 HydrophobicContact CG2-CG1 4.38Å; I257-S259 VanDerWaalsContact C-N 3.28Å; I257-S259 WeakPolarHBondContact CG2-OG 3.37Å; I257-S259 PolarHBondContact O-N 3Å; I257-R260 HydrophobicContact CB-CG 4.39Å; I257-R260 PolarHBondContact O-N 2.95Å; I257-L261 PolarHBondContact O-N 2.66Å
258	L	83.8	Confident	80.2	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-34.5	-171.5	-175.2	62	0	0	0	114	L226 L229 K230 L233 V245 R260 L261 L266	L226-L258 HydrophobicContact CD2-CD1 4.15Å; L226-L258 HydrophobicContact CD2-CD2 3.8Å; L226-L258 HydrophobicContact CG-CD2 3.96Å; L229-L258 HydrophobicContact CD2-CD2 4.27Å; L229-L258 HydrophobicContact CG-CD2 4.29Å; K230-L258 HydrophobicContact CB-CD1 4.06Å; K230-L258 HydrophobicContact CB-CD2 4.05Å; K230-L258 HydrophobicContact CB-CG 3.89Å; K230-L258 HydrophobicContact CD-CD1 4.25Å; K230-L258 HydrophobicContact CD-CG 4.49Å; K230-L258 HydrophobicContact CG-CG 4.33Å; K230-L258 PolarHBondContact NZ-O 3Å; L233-L258 HydrophobicContact CD1-CD2 3.99Å; V245-L258 HydrophobicContact CB-CB 3.96Å; V245-L258 HydrophobicContact CB-CD2 4.23Å; V245-L258 HydrophobicContact CG1-CB 3.87Å; V245-L258 HydrophobicContact CG1-CD2 3.69Å; V245-L258 HydrophobicContact CG1-CG 4.42Å; V245-L258 WeakPolarHBondContact O-CB 3.41Å; V245-L258 PolarHBondContact O-N 3.1Å; L258-R260 VanDerWaalsContact C-N 3.28Å; L258-R260 PolarHBondContact O-N 2.9Å; L258-L261 PolarHBondContact O-N 3.15Å; L258-L266 HydrophobicContact CD1-CD1 3.63Å; L258-L266 HydrophobicContact CD1-CD2 3.81Å; L258-L266 HydrophobicContact CD1-CG 4.36Å
259	S	79.1	Confident	78.9	Confident	74 Å²	74	67.5 Å²	67.5	52%	0.517	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-33.4	175.5	57.4	0	0	0	0	112.6	K230 I257	K230-S259 PolarHBondContact NZ-O 2.97Å; I257-S259 VanDerWaalsContact C-N 3.28Å; I257-S259 WeakPolarHBondContact CG2-OG 3.37Å; I257-S259 PolarHBondContact O-N 3Å
260	R	78.8	Confident	77.3	Confident	189 Å²	189	74 Å²	74	71%	0.713	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-14.9	-177.4	-55.8	-176.7	-172	170.3	6.3	113.8	I257 L258	I257-R260 HydrophobicContact CB-CG 4.39Å; I257-R260 PolarHBondContact O-N 2.95Å; L258-R260 VanDerWaalsContact C-N 3.28Å; L258-R260 PolarHBondContact O-N 2.9Å
261	L	79.3	Confident	75.2	Confident	24 Å²	24	76.3 Å²	76.3	13%	0.126	41%	0.412	C	S	.	.	S	Bend	trans	-72.9	158.9	174.3	-72.1	178.1	0	0	0	112	K230 C247 I253 I257 L258 L266	K230-L261 WeakPolarHBondContact CE-O 3.45Å; K230-L261 PolarHBondContact NZ-O 3.22Å; C247-L261 VanDerWaalsContact SG-CD1 3.57Å; I253-L261 HydrophobicContact CB-CD1 4.4Å; I253-L261 HydrophobicContact CB-CD2 4.36Å; I253-L261 HydrophobicContact CD1-CD1 3.93Å; I253-L261 HydrophobicContact CG2-CD2 4.12Å; I257-L261 PolarHBondContact O-N 2.66Å; L258-L261 PolarHBondContact O-N 3.15Å; L261-L266 HydrophobicContact CD1-CD2 3.9Å; L261-L266 HydrophobicContact CD1-CG 4.48Å
262	K	81	Confident	73.3	Confident	153 Å²	153	77.2 Å²	77.2	67%	0.665	42%	0.415	S	S	*	.			trans	-91.4	153.8	171.4	-62.3	-165.7	176.4	-172.3	0	111.2	E264 S265	K262-E264 VanDerWaalsContact C-N 3.3Å; K262-E264 VanDerWaalsContact CB-OE2 3.32Å; K262-E264 WeakPolarHBondContact CB-OE2 3.4Å; K262-E264 PolarHBondContact O-N 2.86Å; K262-S265 PolarHBondContact N-OG 3.45Å; K262-S265 VanDerWaalsContact N-OG 3.12Å; K262-S265 PolarHBondContact O-N 2.9Å; K262-S265 VanDerWaalsContact O-N 3.1Å; K262-S265 PolarHBondContact O-OG 2.88Å
263	K	82.5	Confident	71.1	Confident	75 Å²	75	78.5 Å²	78.5	33%	0.326	42%	0.418	S	S	.	.	H	α-helix	trans	-64.3	-38.2	-177.6	-68.1	179.5	178.7	171.7	0	111.6	L227 K230 I231 E234 S265 L266 C267	L227-K263 HydrophobicContact CD1-CB 3.89Å; L227-K263 HydrophobicContact CD1-CD 4.46Å; L227-K263 HydrophobicContact CD1-CG 3.87Å; K230-K263 HydrophobicContact CD-CG 4.31Å; I231-K263 HydrophobicContact CG1-CD 4.49Å; E234-K263 WeakPolarHBondContact OE2-CE 3.21Å; E234-K263 IonicContact OE2-NZ 3.85Å; E234-K263 PolarHBondContact OE2-NZ 3.04Å; K263-S265 PolarHBondContact O-N 2.99Å; K263-L266 PolarHBondContact O-N 2.87Å; K263-C267 PolarHBondContact O-N 2.66Å; K263-C267 VanDerWaalsContact O-N 3.12Å
264	E	79.8	Confident	68.8	Low	118 Å²	118	85.3 Å²	85.3	55%	0.551	45%	0.449	S	S	*	.	H	α-helix	trans	-70.5	-18.2	178	-43.8	71.2	-142.3	0	0	112.5	K262 P268	K262-E264 VanDerWaalsContact C-N 3.3Å; K262-E264 VanDerWaalsContact CB-OE2 3.32Å; K262-E264 WeakPolarHBondContact CB-OE2 3.4Å; K262-E264 PolarHBondContact O-N 2.86Å; E264-P268 WeakPolarHBondContact O-CA 3.37Å
265	S	80.3	Confident	67	Low	51 Å²	51	90.1 Å²	90.1	36%	0.357	48%	0.477	S	S	.	.	H	α-helix	trans	-85	-12.4	174.5	62.8	0	0	0	0	114.3	K262 K263	K262-S265 PolarHBondContact N-OG 3.45Å; K262-S265 VanDerWaalsContact N-OG 3.12Å; K262-S265 PolarHBondContact O-N 2.9Å; K262-S265 VanDerWaalsContact O-N 3.1Å; K262-S265 PolarHBondContact O-OG 2.88Å; K263-S265 PolarHBondContact O-N 2.99Å
266	L	82.1	Confident	64.9	Low	7 Å²	7	99 Å²	99	4%	0.037	52%	0.516	C	S	.	.	H	α-helix	trans	-96.5	-42.7	173.7	-67.3	162.8	0	0	0	111.1	C222 N223 C224 L227 K230 I253 L258 L261 K263	C222-L266 HydrophobicContact CB-CD2 3.55Å; C222-L266 WeakPolarHBondContact O-CD2 3.45Å; N223-L266 CarbonylContact C-O 3.17Å; N223-L266 VanDerWaalsContact C-O 3.25Å; C224-L266 PolarHBondContact N-O 2.83Å; L227-L266 HydrophobicContact CD1-CD1 4.31Å; K230-L266 HydrophobicContact CB-CD1 4.31Å; K230-L266 HydrophobicContact CD-CD1 3.34Å; K230-L266 HydrophobicContact CG-CD1 4.46Å; I253-L266 HydrophobicContact CD1-CD2 4.06Å; L258-L266 HydrophobicContact CD1-CD1 3.63Å; L258-L266 HydrophobicContact CD1-CD2 3.81Å; L258-L266 HydrophobicContact CD1-CG 4.36Å; L261-L266 HydrophobicContact CD1-CD2 3.9Å; L261-L266 HydrophobicContact CD1-CG 4.48Å; K263-L266 PolarHBondContact O-N 2.87Å
267	C	83.4	Confident	62.7	Low	37 Å²	37	104.8 Å²	104.8	25%	0.25	55%	0.545	C	S	.	.	S	Bend	trans	-131.4	90.8	177	-154.7	0	0	0	0	109.7	C224 L227 K263 T269	C224-C267 HydrophobicContact CB-CB 3.83Å; C224-C267 WeakPolarHBondContact CB-SG 3.46Å; C224-C267 WeakPolarHBondContact SG-CA 3.31Å; C224-C267 WeakPolarHBondContact SG-CB 3.21Å; C224-C267 CovalentContact SG-SG 2.05Å; C224-C267 PolarHBondContact SG-SG 3.12Å; L227-C267 HydrophobicContact CD2-CB 4.08Å; K263-C267 PolarHBondContact O-N 2.66Å; K263-C267 VanDerWaalsContact O-N 3.12Å; C267-T269 PolarHBondContact O-N 3.02Å; C267-T269 VanDerWaalsContact O-N 3.12Å
268	P	75.4	Confident	60.7	Low	96 Å²	96	108.9 Å²	108.9	62%	0.623	57%	0.573	S	S	*	*			trans	-70.8	107.6	177.3	27.9	-33.1	0	0	0	109.5	E264 H270	E264-P268 WeakPolarHBondContact O-CA 3.37Å; P268-H270 PolarHBondContact O-N 2.65Å
269	T	60.9	Low	58.2	Low	120 Å²	120	114.7 Å²	114.7	74%	0.736	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-62.4	119.7	172.6	50.6	0	0	0	0	109.5	C267	C267-T269 PolarHBondContact O-N 3.02Å; C267-T269 VanDerWaalsContact O-N 3.12Å
270	H	48.9	Very low	55.9	Low	176 Å²	176	114.3 Å²	114.3	82%	0.815	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-57	132.2	163.9	-82.9	-84.7	0	0	0	109	P268 V272	P268-H270 PolarHBondContact O-N 2.65Å; H270-V272 PolarHBondContact O-N 2.92Å
271	P	40.3	Very low	53.5	Low	103 Å²	103	111 Å²	111	67%	0.669	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-64.8	125.3	176.2	26	-32.3	0	0	0	108.8	N273	P271-N273 PolarHBondContact O-N 3.43Å
272	V	39.1	Very low	51.2	Low	129 Å²	129	117.7 Å²	117.7	78%	0.782	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-69.1	118.4	163.9	177.8	0	0	0	0	106.3	H270 E274	H270-V272 PolarHBondContact O-N 2.92Å; V272-E274 PolarHBondContact O-N 3.04Å; V272-E274 VanDerWaalsContact O-N 3.12Å
273	N	34	Very low	49.1	Very low	153 Å²	153	115.5 Å²	115.5	82%	0.818	66%	0.664	S	S	*	*			trans	-68.5	108.4	171.9	-80.1	-0.6	0	0	0	108.7	P271	P271-N273 PolarHBondContact O-N 3.43Å
274	E	33.9	Very low	46.5	Very low	165 Å²	165	119.2 Å²	119.2	77%	0.771	69%	0.687	S	S	*	*			trans	-81.5	145.2	162.3	-65.6	-168.1	142.7	0	0	110.3	V272	V272-E274 PolarHBondContact O-N 3.04Å; V272-E274 VanDerWaalsContact O-N 3.12Å
275	L	38.7	Very low	44	Very low	153 Å²	153	120.4 Å²	120.4	80%	0.801	70%	0.702	S	S	*	*			trans	63.9	87.7	156.7	-61.3	155.8	0	0	0	118.2
276	E	29.2	Very low	41.3	Very low	196 Å²	196	123.3 Å²	123.3	92%	0.916	72%	0.717	S	S	*	*				-131.1	119.9	118.5	-81.5	-157.8	144.8	0	0	109.4
277	D	29.2	Very low	38.6	Very low	150 Å²	150	128.6 Å²	128.6	80%	0.802	75%	0.75	S	S	*	*			trans	-98.7	127.8	172.4	-153.3	-7.7	0	0	0	107.6
278	P	35.8	Very low	35.8	Very low	117 Å²	117	132.2 Å²	132.2	76%	0.76	77%	0.771	S	S	*	*			trans	-130.8	126.1	141	34.7	-25.6	0	0	0	112.4
279	S	31.8	Very low	33.5	Very low	122 Å²	122	132.1 Å²	132.1	85%	0.853	77%	0.772	S	S	*	*			trans	-68.4	128.8	174.6	47.9	0	0	0	0	112.1
280	G	29.4	Very low	31.9	Very low	66 Å²	66	133.6 Å²	133.6	68%	0.68	77%	0.774	S	S	*	*			trans	-173.6	74.5	-175.3	0	0	0	0	0	117
281	S	28.4	Very low	30.8	Very low	121 Å²	121	129.7 Å²	129.7	85%	0.846	77%	0.767	S	S	*	*			trans	50.3	118.9	156.5	56.4	0	0	0	0	121.1
282	L	32.4	Very low	30.2	Very low	163 Å²	163	133.8 Å²	133.8	85%	0.853	78%	0.777	S	S	*	*			trans	-57.9	160.7	152.4	-74.3	170.2	0	0	0	111.6
283	P	36.3	Very low	29.6	Very low	107 Å²	107	133.4 Å²	133.4	70%	0.695	78%	0.78	S	S	*	*			cis	-146.4	174.1	35.4	41.6	-21.2	0	0	0	119.5
284	L	26.9	Very low	29.4	Very low	154 Å²	154	134.2 Å²	134.2	81%	0.806	78%	0.779	S	S	*	*			trans	24	131.7	154.9	-78.1	85.1	0	0	0	121
285	V	26.9	Very low	29.1	Very low	143 Å²	143	133.7 Å²	133.7	87%	0.867	78%	0.78	S	S	*	*				-158.4	164.3	116.6	129.5	0	0	0	0	111.8
286	V	25.3	Very low	28.5	Very low	112 Å²	112	131 Å²	131	68%	0.679	77%	0.774	S	S	*	*			trans	-93.4	175	-170.9	-179.6	0	0	0	0	111.4
287	T	25.4	Very low	28.5	Very low	118 Å²	118	127.2 Å²	127.2	72%	0.724	76%	0.764	S	S	*	*			trans	69.8	149.4	162.1	35.1	0	0	0	0	117.8
288	T	24.3	Very low	28.5	Very low	113 Å²	113	130.1 Å²	130.1	69%	0.693	77%	0.77	S	S	*	*			cis	-169	150.5	-27.8	17.1	0	0	0	0	109.6
289	S	25.6	Very low	28	Very low	93 Å²	93	130 Å²	130	65%	0.65	77%	0.767	S	S	*	*			trans	55.7	143.7	138.6	75.1	0	0	0	0	124.2
290	I	29.1	Very low	28.1	Very low	151 Å²	151	130.8 Å²	130.8	77%	0.774	76%	0.76	S	S	*	*			trans	91.8	141.8	137.4	-78.1	159.8	0	0	0	121
291	S	24.8	Very low	28.3	Very low	95 Å²	95	133.1 Å²	133.1	66%	0.664	76%	0.763	S	S	*	*			trans	61.5	107.8	160.5	63.4	0	0	0	0	121.6
292	E	28.4	Very low	28.5	Very low	189 Å²	189	134.2 Å²	134.2	88%	0.883	76%	0.758	S	S	*	*				11.4	133.5	112	-54.6	175.2	143.1	0	0	118.6
293	S	26	Very low	28.3	Very low	121 Å²	121	134 Å²	134	85%	0.846	76%	0.757	S	S	*	*				-165.5	151	128.1	54.7	0	0	0	0	114.4
294	H	29.2	Very low	27.9	Very low	170 Å²	170	137.7 Å²	137.7	79%	0.787	76%	0.762	S	S	*	*			trans	-66.1	156.9	-172.2	-67.9	-97.8	0	0	0	118.2
295	L	28.7	Very low	27.8	Very low	154 Å²	154	134.6 Å²	134.6	81%	0.806	76%	0.759	S	S	*	*			trans	65.7	118.7	137.5	-97.9	76.2	0	0	0	122.8
296	S	25.9	Very low	28	Very low	95 Å²	95	133.1 Å²	133.1	66%	0.664	75%	0.752	S	S	*	*				114.1	134.5	112.2	-159.3	0	0	0	0	120.8
297	T	29.7	Very low	28.2	Very low	117 Å²	117	133.5 Å²	133.5	72%	0.718	76%	0.755	S	S	*	*			trans	44.1	118.8	151.6	47.9	0	0	0	0	121.4
298	K	28	Very low	28.4	Very low	212 Å²	212	135.1 Å²	135.1	92%	0.922	75%	0.752	S	S	*	*			trans	-146.2	168.1	136.8	-114.2	163.7	-170.7	171.5	0	111.5
299	V	25.7	Very low	28.3	Very low	114 Å²	114	136.6 Å²	136.6	69%	0.691	75%	0.751	S	S	*	*			trans	-141.8	127.4	-147.2	158.8	0	0	0	0	111.5
300	I	33.1	Very low	28.9	Very low	138 Å²	138	137.5 Å²	137.5	71%	0.708	75%	0.754	S	S	*	*			trans	56.9	128.4	148	-66.8	175.6	0	0	0	117.1	I302	I300-I302 HydrophobicContact CG2-CD1 4.33Å; I300-I302 HydrophobicContact CG2-CG1 4.33Å
301	P	35.1	Very low	28.8	Very low	116 Å²	116	134.8 Å²	134.8	75%	0.753	75%	0.749	S	S	*	*				-152.2	133.5	74	37.6	-15.9	0	0	0	120.6
302	I	31.8	Very low	28.9	Very low	143 Å²	143	140.5 Å²	140.5	73%	0.733	76%	0.762	S	S	*	*				21.2	127.3	124.4	-53.9	167.8	0	0	0	118.7	I300	I300-I302 HydrophobicContact CG2-CD1 4.33Å; I300-I302 HydrophobicContact CG2-CG1 4.33Å
303	L	28.8	Very low	28.9	Very low	158 Å²	158	137.1 Å²	137.1	83%	0.827	75%	0.754	S	S	*	*			trans	-141.5	96.9	149	-112.9	169.1	0	0	0	113.6
304	K	26.4	Very low	28.9	Very low	185 Å²	185	139.2 Å²	139.2	80%	0.804	76%	0.755	S	S	*	*			trans	38.6	136.1	145.4	-63.5	178	-178.8	176.7	0	122.5
305	A	26.4	Very low	29	Very low	89 Å²	89	140.2 Å²	140.2	74%	0.736	76%	0.76	S	S	*	*			trans	-118.2	161.7	155.7	0	0	0	0	0	111.3
306	P	29.9	Very low	29	Very low	113 Å²	113	137.1 Å²	137.1	73%	0.734	76%	0.757	S	S	*	*			trans	-91	130.9	161.7	34.1	-28.6	0	0	0	110.6
307	T	29.4	Very low	29.6	Very low	120 Å²	120	138.5 Å²	138.5	74%	0.736	77%	0.766	S	S	*	*				63	129.4	64.2	68.3	0	0	0	0	114.2
308	K	29.5	Very low	29.5	Very low	152 Å²	152	142.1 Å²	142.1	66%	0.661	77%	0.772	S	S	*	*			cis	-168.1	143.4	7.1	-126.9	178.8	179.9	-86.2	0	113
309	E	23.3	Very low	29.8	Very low	144 Å²	144	138.1 Å²	138.1	67%	0.673	77%	0.768	S	S	*	*			trans	57.8	167.4	135.9	-83.5	159.5	-145.9	0	0	122.8
310	P	38.8	Very low	29.9	Very low	111 Å²	111	138.6 Å²	138.6	72%	0.721	77%	0.771	S	S	*	*			cis	-125.5	160.8	2.4	38.5	-22.4	0	0	0	118.3
311	S	25.1	Very low	29.8	Very low	95 Å²	95	137.4 Å²	137.4	66%	0.664	77%	0.77	S	S	*	*			trans	-16.1	144.1	164	58.6	0	0	0	0	122.6
312	F	28.3	Very low	29.8	Very low	214 Å²	214	137.9 Å²	137.9	94%	0.939	77%	0.774	S	S	*	*				-142.7	149	119.8	-109	-79.6	0	0	0	110.3
313	V	28.7	Very low	29.7	Very low	119 Å²	119	140.5 Å²	140.5	72%	0.721	78%	0.78	S	S	*	*			trans	-115.6	131.4	-177.8	175.4	0	0	0	0	110.4
314	L	25.8	Very low	30.3	Very low	165 Å²	165	138.9 Å²	138.9	86%	0.864	78%	0.779	S	S	*	*			trans	-153.3	107.6	162	-115.7	168.6	0	0	0	110.2	A316	L314-A316 PolarHBondContact O-N 2.98Å
315	H	31.6	Very low	31.2	Very low	191 Å²	191	133.1 Å²	133.1	88%	0.884	77%	0.772	S	S	*	*			trans	-79	110.4	167.6	-82.1	-72.8	0	0	0	109.4
316	A	28.6	Very low	32.7	Very low	89 Å²	89	133.2 Å²	133.2	74%	0.736	76%	0.759	S	S	*	*			trans	-139.7	119	167.3	0	0	0	0	0	109.5	L314	L314-A316 PolarHBondContact O-N 2.98Å
317	S	36.8	Very low	34.6	Very low	124 Å²	124	134.3 Å²	134.3	87%	0.867	75%	0.749	S	S	*	*			trans	-78.3	121.5	-174.6	53.7	0	0	0	0	112.6
318	K	29.3	Very low	36.9	Very low	192 Å²	192	130.3 Å²	130.3	84%	0.835	73%	0.726	S	S	*	*			trans	-146.5	145.9	156.2	-104.2	-178.8	178.5	179.3	0	110.2
319	P	32.6	Very low	39.3	Very low	129 Å²	129	123.1 Å²	123.1	84%	0.838	70%	0.695	S	S	*	*			trans	-81.3	129.9	176.5	32.3	-32.1	0	0	0	110.5
320	T	27.7	Very low	41.5	Very low	123 Å²	123	122.3 Å²	122.3	76%	0.755	70%	0.699	S	S	*	*			trans	-127.1	104	176.1	-36	0	0	0	0	109.1
321	T	31.4	Very low	43.3	Very low	114 Å²	114	119.1 Å²	119.1	70%	0.699	68%	0.679	S	S	*	*			trans	23.9	123.1	153.8	56.8	0	0	0	0	118.9
322	P	35.5	Very low	45.9	Very low	126 Å²	126	115.4 Å²	115.4	82%	0.818	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-54.6	147.7	161.2	-20.4	32.4	0	0	0	111.4
323	F	30	Very low	48	Very low	198 Å²	198	111.1 Å²	111.1	87%	0.868	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-60.5	143.2	163.5	-78.9	-96.9	0	0	0	109.4	G325	F323-G325 PolarHBondContact O-N 2.96Å
324	P	40.3	Very low	50.2	Low	124 Å²	124	106.7 Å²	106.7	81%	0.805	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-65.8	121	-176.1	26.7	-33.9	0	0	0	110.4
325	G	46.1	Very low	52.1	Low	63 Å²	63	100 Å²	100	65%	0.649	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-62.8	161.5	160.6	0	0	0	0	0	110.4	F323 Y327	F323-G325 PolarHBondContact O-N 2.96Å; G325-Y327 PolarHBondContact O-N 3Å
326	I	57.5	Low	53.4	Low	91 Å²	91	93.7 Å²	93.7	47%	0.467	55%	0.554	S	S	.	*			trans	-63.1	106	175	-60.9	174.7	0	0	0	107.9	C328 S336 P361	I326-C328 PolarHBondContact O-N 3.47Å; I326-C328 VanDerWaalsContact O-N 3.14Å; I326-S336 VanDerWaalsContact CD1-OG 3.32Å; I326-S336 WeakPolarHBondContact CD1-OG 3.31Å; I326-P361 HydrophobicContact CG2-CB 3.89Å
327	Y	69.9	Low	54.7	Low	136 Å²	136	91.9 Å²	91.9	53%	0.533	53%	0.53	S	S	.	.			trans	-67.6	109.8	173.3	177.4	-98.3	0	0	0	108.4	G325 P329 P359 P361	G325-Y327 PolarHBondContact O-N 3Å; Y327-P329 HydrophobicContact CE1-CB 4.13Å; Y327-P359 HydrophobicContact CE1-CG 4.36Å; Y327-P361 WeakPolarHBondContact O-CB 3.43Å
328	C	77.8	Confident	55.3	Low	36 Å²	36	92.9 Å²	92.9	24%	0.243	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-94.2	128.6	165.1	-170.9	0	0	0	0	108.1	I326 V330 C332 C334	I326-C328 PolarHBondContact O-N 3.47Å; I326-C328 VanDerWaalsContact O-N 3.14Å; C328-V330 PolarHBondContact O-N 3.09Å; C328-C332 PolarHBondContact SG-O 3.05Å; C328-C334 VanDerWaalsContact CA-SG 3.51Å; C328-C334 HydrophobicContact CB-CB 3.63Å; C328-C334 WeakPolarHBondContact CB-SG 3.48Å; C328-C334 WeakPolarHBondContact SG-CB 3.05Å; C328-C334 PolarHBondContact SG-N 2.86Å; C328-C334 CovalentContact SG-SG 2.04Å; C328-C334 PolarHBondContact SG-SG 3.02Å
329	P	80	Confident	56.2	Low	1 Å²	1	89.7 Å²	89.7	1%	0.006	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-69.9	128.8	176.6	28.9	-34.6	0	0	0	110.8	Y327 C332 M344 L357	Y327-P329 HydrophobicContact CE1-CB 4.13Å; P329-C332 HydrophobicContact CG-CB 4.5Å; P329-C332 WeakPolarHBondContact O-CA 3.3Å; P329-C332 VanDerWaalsContact O-CB 3.25Å; P329-C332 WeakPolarHBondContact O-CB 3.36Å; P329-C332 PolarHBondContact O-N 2.97Å; P329-M344 HydrophobicContact CG-CE 3.82Å; P329-L357 WeakPolarHBondContact CB-O 3.02Å
330	V	70.5	Confident	57.2	Low	128 Å²	128	85.6 Å²	85.6	78%	0.776	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	126.2	167.7	-178.6	0	0	0	0	106.5	C328	C328-V330 PolarHBondContact O-N 3.09Å
331	P	76.7	Confident	59.1	Low	44 Å²	44	80.6 Å²	80.6	29%	0.286	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	cis	-101.5	11.8	27.5	39.3	-38.3	0	0	0	116.8	R349 I351	P331-R349 HydrophobicContact CB-CB 4.04Å; P331-R349 HydrophobicContact CB-CG 3.89Å; P331-R349 HydrophobicContact CG-CB 3.67Å; P331-R349 HydrophobicContact CG-CG 3.89Å; P331-R349 PolarHBondContact O-NE 3.27Å; P331-R349 VanDerWaalsContact O-NE 3.07Å; P331-I351 HydrophobicContact CG-CD1 4.01Å; P331-I351 HydrophobicContact CG-CG1 4.1Å
332	C	79.4	Confident	61	Low	17 Å²	17	75.3 Å²	75.3	12%	0.115	44%	0.437	C	S	.	.			trans	-78.3	162.2	-176.6	-52.6	0	0	0	0	113.7	C328 P329 H345 C346 L357	C328-C332 PolarHBondContact SG-O 3.05Å; P329-C332 HydrophobicContact CG-CB 4.5Å; P329-C332 WeakPolarHBondContact O-CA 3.3Å; P329-C332 VanDerWaalsContact O-CB 3.25Å; P329-C332 WeakPolarHBondContact O-CB 3.36Å; P329-C332 PolarHBondContact O-N 2.97Å; C332-H345 CarbonylContact C-O 3.1Å; C332-H345 WeakPolarHBondContact CA-O 3.21Å; C332-H345 WeakPolarHBondContact CB-O 3.37Å; C332-C346 HydrophobicContact CB-CB 4.09Å; C332-C346 WeakPolarHBondContact CB-SG 3.24Å; C332-C346 WeakPolarHBondContact SG-CB 3.48Å; C332-C346 CovalentContact SG-SG 2.04Å; C332-C346 PolarHBondContact SG-SG 2.72Å; C332-L357 VanDerWaalsContact SG-CD2 3.55Å
333	H	72.6	Confident	62.9	Low	124 Å²	124	70.5 Å²	70.5	57%	0.574	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.8	165.3	-179.7	80.7	0	0	0	109.8	H345	H333-H345 PolarHBondContact N-O 2.89Å; H333-H345 PolarHBondContact O-N 2.99Å
334	C	73.1	Confident	65.2	Low	25 Å²	25	61 Å²	61	17%	0.169	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	119.5	-175.7	-54.4	0	0	0	0	111.2	C328 V342 L343	C328-C334 VanDerWaalsContact CA-SG 3.51Å; C328-C334 HydrophobicContact CB-CB 3.63Å; C328-C334 WeakPolarHBondContact CB-SG 3.48Å; C328-C334 WeakPolarHBondContact SG-CB 3.05Å; C328-C334 PolarHBondContact SG-N 2.86Å; C328-C334 CovalentContact SG-SG 2.04Å; C328-C334 PolarHBondContact SG-SG 3.02Å; C334-V342 HydrophobicContact CB-CG1 3.94Å; C334-L343 CarbonylContact C-O 3.08Å; C334-L343 VanDerWaalsContact CA-O 3.32Å; C334-L343 WeakPolarHBondContact CA-O 3.46Å
335	S	65.8	Low	66.7	Low	24 Å²	24	58.4 Å²	58.4	17%	0.168	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.4	169.5	55.2	0	0	0	0	109.4	V342 L343	S335-V342 WeakPolarHBondContact O-CA 3.45Å; S335-L343 PolarHBondContact N-O 2.87Å; S335-L343 PolarHBondContact O-N 2.96Å; S335-L343 WeakPolarHBondContact OG-CB 3.41Å; S335-L343 WeakPolarHBondContact OG-CG 3.23Å; S335-L343 PolarHBondContact OG-O 2.79Å
336	S	60.7	Low	68.3	Low	60 Å²	60	55.4 Å²	55.4	42%	0.42	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124.6	-177.4	180	0	0	0	0	110.9	I326	I326-S336 VanDerWaalsContact CD1-OG 3.32Å; I326-S336 WeakPolarHBondContact CD1-OG 3.31Å
337	H	54.7	Low	69.1	Low	50 Å²	50	53.4 Å²	53.4	23%	0.231	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130	-178.4	-58.8	-21.2	0	0	0	109.9	K254 L339 S340 G341	K254-H337 WeakPolarHBondContact CE-CE1 3.43Å; K254-H337 VanDerWaalsContact CE-NE2 3.3Å; K254-H337 WeakPolarHBondContact CE-NE2 3.27Å; H337-L339 PolarHBondContact O-N 2.9Å; H337-S340 PolarHBondContact O-N 3.1Å; H337-G341 PolarHBondContact N-O 3.36Å; H337-G341 WeakPolarHBondContact O-CA 3.47Å; H337-G341 PolarHBondContact O-N 3Å
338	T	49.4	Very low	69.2	Low	145 Å²	145	52.2 Å²	52.2	89%	0.89	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-18.3	-169.1	44.2	0	0	0	0	114.9
339	L	49.3	Very low	69.1	Low	125 Å²	125	57 Å²	57	65%	0.654	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-27.1	177.9	-77	144.6	0	0	0	113.6	H337	H337-L339 PolarHBondContact O-N 2.9Å
340	S	53.1	Low	69.3	Low	44 Å²	44	62.6 Å²	62.6	31%	0.308	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	17.3	-174	-50.8	0	0	0	0	113.9	G255 H337 K365	G255-S340 WeakPolarHBondContact CA-OG 3.36Å; G255-S340 PolarHBondContact O-OG 3.02Å; H337-S340 PolarHBondContact O-N 3.1Å; S340-K365 VanDerWaalsContact O-CB 3.32Å; S340-K365 WeakPolarHBondContact O-CB 3.2Å; S340-K365 WeakPolarHBondContact O-CG 3.33Å
341	G	67.8	Low	70.1	Confident	17 Å²	17	56.8 Å²	56.8	18%	0.175	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	64.5	-151.2	174.3	0	0	0	0	0	114.1	H337	H337-G341 PolarHBondContact N-O 3.36Å; H337-G341 WeakPolarHBondContact O-CA 3.47Å; H337-G341 PolarHBondContact O-N 3Å
342	V	71.7	Confident	70.7	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.024	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126.6	-178	-172.3	0	0	0	0	111	C334 S335 M344 P361 N363 K365 K366	C334-V342 HydrophobicContact CB-CG1 3.94Å; S335-V342 WeakPolarHBondContact O-CA 3.45Å; V342-M344 HydrophobicContact CG1-CG 4.25Å; V342-P361 HydrophobicContact CB-CG 4.25Å; V342-P361 HydrophobicContact CG1-CB 4.19Å; V342-P361 HydrophobicContact CG1-CG 3.73Å; V342-P361 HydrophobicContact CG2-CB 4.41Å; V342-N363 PolarHBondContact N-O 2.8Å; V342-K365 PolarHBondContact O-N 2.86Å; V342-K366 PolarHBondContact O-N 3.5Å
343	L	74.7	Confident	71.1	Confident	24 Å²	24	61.3 Å²	61.3	13%	0.126	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.9	169.7	153.7	61	0	0	0	108.5	C334 S335 H345 K366 I368	C334-L343 CarbonylContact C-O 3.08Å; C334-L343 VanDerWaalsContact CA-O 3.32Å; C334-L343 WeakPolarHBondContact CA-O 3.46Å; S335-L343 PolarHBondContact N-O 2.87Å; S335-L343 PolarHBondContact O-N 2.96Å; S335-L343 WeakPolarHBondContact OG-CB 3.41Å; S335-L343 WeakPolarHBondContact OG-CG 3.23Å; S335-L343 PolarHBondContact OG-O 2.79Å; L343-H345 WeakPolarHBondContact CD2-NE2 3.35Å; L343-H345 WeakPolarHBondContact CG-NE2 3.36Å; L343-K366 WeakPolarHBondContact CA-O 3.33Å; L343-K366 HydrophobicContact CB-CB 4.01Å; L343-K366 HydrophobicContact CD1-CB 3.45Å; L343-K366 VanDerWaalsContact CD1-CB 3.45Å; L343-K366 HydrophobicContact CD1-CD 3.96Å; L343-K366 HydrophobicContact CD1-CG 4.3Å; L343-K366 HydrophobicContact CD2-CD 4.3Å; L343-K366 HydrophobicContact CG-CB 4.25Å; L343-I368 HydrophobicContact CD1-CD1 3.87Å; L343-I368 HydrophobicContact CD1-CG1 4.25Å
344	M	78.1	Confident	71.7	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	113.3	-177.4	-61.5	169.9	65	0	0	109.9	P329 V342 P361 P364 K366 L367 I368 Y385	P329-M344 HydrophobicContact CG-CE 3.82Å; V342-M344 HydrophobicContact CG1-CG 4.25Å; M344-P361 HydrophobicContact CE-CG 4.38Å; M344-P361 HydrophobicContact CG-CG 4.12Å; M344-P361 VanDerWaalsContact SD-CD 3.58Å; M344-P361 HydrophobicContact SD-CG 3.7Å; M344-P364 HydrophobicContact SD-CB 4Å; M344-K366 PolarHBondContact N-O 2.02Å; M344-L367 HydrophobicContact CB-CD1 3.76Å; M344-L367 HydrophobicContact CE-CD1 4.15Å; M344-L367 HydrophobicContact SD-CD1 4.31Å; M344-I368 PolarHBondContact O-N 3.04Å; M344-Y385 HydrophobicContact CE-CE1 4.17Å; M344-Y385 HydrophobicContact SD-CE1 4.06Å
345	H	71.9	Confident	72.2	Confident	68 Å²	68	58 Å²	58	32%	0.315	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	115.3	171.9	-61.2	-99.5	0	0	0	109.6	C332 H333 L343	C332-H345 CarbonylContact C-O 3.1Å; C332-H345 WeakPolarHBondContact CA-O 3.21Å; C332-H345 WeakPolarHBondContact CB-O 3.37Å; H333-H345 PolarHBondContact N-O 2.89Å; H333-H345 PolarHBondContact O-N 2.99Å; L343-H345 WeakPolarHBondContact CD2-NE2 3.35Å; L343-H345 WeakPolarHBondContact CG-NE2 3.36Å
346	C	79.6	Confident	72.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.33	C	S	.	.			trans	-127.4	18.9	-178.2	-52.4	0	0	0	0	111.4	C332 I351 I368 L369 N372	C332-C346 HydrophobicContact CB-CB 4.09Å; C332-C346 WeakPolarHBondContact CB-SG 3.24Å; C332-C346 WeakPolarHBondContact SG-CB 3.48Å; C332-C346 CovalentContact SG-SG 2.04Å; C332-C346 PolarHBondContact SG-SG 2.72Å; C346-I351 HydrophobicContact CB-CD1 3.94Å; C346-I368 CarbonylContact C-O 3.2Å; C346-I368 WeakPolarHBondContact CA-O 3.32Å; C346-I368 WeakPolarHBondContact CB-O 3.35Å; C346-I368 PolarHBondContact N-O 3.18Å; C346-L369 HydrophobicContact CB-CD2 3.43Å; C346-L369 VanDerWaalsContact CB-CD2 3.43Å; C346-L369 HydrophobicContact CB-CG 4.09Å; C346-N372 PolarHBondContact O-ND2 2.86Å
347	Q	73.4	Confident	73.9	Confident	50 Å²	50	58.7 Å²	58.7	23%	0.234	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	143.9	-176	170.8	169.4	-11.9	0	0	112.7	R349 I368 A370	Q347-R349 VanDerWaalsContact C-N 3.31Å; Q347-R349 WeakPolarHBondContact O-CG 3.33Å; Q347-R349 PolarHBondContact O-N 3.05Å; Q347-I368 HydrophobicContact CB-CG2 4.47Å; Q347-A370 WeakPolarHBondContact CA-O 3.17Å; Q347-A370 HydrophobicContact CB-CB 4.46Å; Q347-A370 HydrophobicContact CG-CB 4.12Å; Q347-A370 WeakPolarHBondContact CG-O 3.24Å
348	E	72.4	Confident	75.1	Confident	111 Å²	111	58.1 Å²	58.1	52%	0.519	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	45	174	-68.1	156.3	-129.7	0	0	113.3	A370 G371	E348-A370 PolarHBondContact N-O 3.26Å; E348-A370 VanDerWaalsContact N-O 3.16Å; E348-G371 WeakPolarHBondContact CA-O 3.28Å
349	R	77.3	Confident	76.6	Confident	135 Å²	135	55.1 Å²	55.1	51%	0.509	30%	0.301	S	S	.	.	S	Bend	trans	-110.4	6	179.6	-66.8	-48.1	-164.4	-143.6	-0.8	114.2	P331 Q347 I351 N372	P331-R349 HydrophobicContact CB-CB 4.04Å; P331-R349 HydrophobicContact CB-CG 3.89Å; P331-R349 HydrophobicContact CG-CB 3.67Å; P331-R349 HydrophobicContact CG-CG 3.89Å; P331-R349 PolarHBondContact O-NE 3.27Å; P331-R349 VanDerWaalsContact O-NE 3.07Å; Q347-R349 VanDerWaalsContact C-N 3.31Å; Q347-R349 WeakPolarHBondContact O-CG 3.33Å; Q347-R349 PolarHBondContact O-N 3.05Å; R349-I351 HydrophobicContact CB-CD1 3.93Å; R349-I351 HydrophobicContact CB-CG1 3.87Å; R349-I351 PolarHBondContact O-N 2.83Å; R349-N372 PolarHBondContact N-OD1 2.72Å
350	N	83.6	Confident	78.3	Confident	120 Å²	120	50.5 Å²	50.5	64%	0.642	28%	0.279	S	S	*	.			trans	54.4	38.6	-174.4	-60.6	-50.2	0	0	0	113	N372 I373	N350-N372 PolarHBondContact N-OD1 3.09Å; N350-N372 VanDerWaalsContact N-OD1 3.09Å; N350-I373 HydrophobicContact CB-CD1 4.37Å
351	I	86.8	Confident	79.7	Confident	6 Å²	6	48.6 Å²	48.6	3%	0.031	27%	0.265	C	S	.	.			trans	-71.9	129.6	177.9	-64.4	167.6	0	0	0	109.4	P331 C346 R349 S353 D356 L357 L369 N372 I373 I374	P331-I351 HydrophobicContact CG-CD1 4.01Å; P331-I351 HydrophobicContact CG-CG1 4.1Å; C346-I351 HydrophobicContact CB-CD1 3.94Å; R349-I351 HydrophobicContact CB-CD1 3.93Å; R349-I351 HydrophobicContact CB-CG1 3.87Å; R349-I351 PolarHBondContact O-N 2.83Å; I351-S353 WeakPolarHBondContact CG2-O 3.48Å; I351-D356 HydrophobicContact CG2-CB 4.45Å; I351-L357 HydrophobicContact CD1-CD2 3.77Å; I351-L369 HydrophobicContact CD1-CD2 3.72Å; I351-N372 HydrophobicContact CB-CB 4.24Å; I351-N372 PolarHBondContact N-OD1 2.91Å; I351-I373 CarbonylContact O-C 3.21Å; I351-I373 VanDerWaalsContact O-CG1 3.26Å; I351-I373 WeakPolarHBondContact O-CG1 3.22Å; I351-I373 PolarHBondContact O-N 2.92Å; I351-I373 VanDerWaalsContact O-N 3.08Å; I351-I374 HydrophobicContact CG2-CG1 4.37Å; I351-I374 PolarHBondContact O-N 3.41Å
352	E	88.5	Confident	80.3	Confident	130 Å²	130	51.9 Å²	51.9	61%	0.607	28%	0.284	S	S	*	.			trans	-94	-32.2	178	-70	-175.7	-165.8	0	0	111.8	D356 I373 I374	E352-D356 PolarHBondContact N-OD2 2.92Å; E352-I373 HydrophobicContact CG-CD1 3.61Å; E352-I373 HydrophobicContact CG-CG1 3.84Å; E352-I374 WeakPolarHBondContact O-CA 3.26Å
353	S	88.1	Confident	80.6	Confident	26 Å²	26	56.9 Å²	56.9	18%	0.182	31%	0.31	C	S	.	.			trans	-142.1	148.4	177.6	-175.5	0	0	0	0	112.7	I351 S355 D356	I351-S353 WeakPolarHBondContact CG2-O 3.48Å; S353-S355 PolarHBondContact O-N 3.02Å; S353-S355 WeakPolarHBondContact OG-CB 3.47Å; S353-S355 PolarHBondContact OG-N 2.76Å; S353-S355 VanDerWaalsContact OG-N 3.14Å; S353-D356 PolarHBondContact N-OD2 3.21Å; S353-D356 VanDerWaalsContact O-CB 3.26Å; S353-D356 WeakPolarHBondContact O-CB 3.16Å; S353-D356 VanDerWaalsContact O-CG 3.26Å; S353-D356 PolarHBondContact O-N 3.08Å; S353-D356 VanDerWaalsContact O-OD2 3.11Å
354	L	86.4	Confident	81	Confident	5 Å²	5	55.9 Å²	55.9	3%	0.026	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-61.5	-23.1	168	-84.9	74.9	0	0	0	112.2	D356 L357 L369 I374 L377 D381 L382 L393	L354-D356 PolarHBondContact O-N 2.97Å; L354-L357 VanDerWaalsContact O-CB 3.32Å; L354-L357 WeakPolarHBondContact O-CB 3.27Å; L354-L357 WeakPolarHBondContact O-CG 3.01Å; L354-L357 PolarHBondContact O-N 3.43Å; L354-L369 HydrophobicContact CD1-CD1 4.03Å; L354-L369 HydrophobicContact CD2-CD1 4.12Å; L354-L369 HydrophobicContact CG-CD1 3.83Å; L354-I374 HydrophobicContact CD1-CD1 3.68Å; L354-I374 HydrophobicContact CD1-CG1 4.39Å; L354-I374 HydrophobicContact CD1-CG2 4.13Å; L354-L377 HydrophobicContact CD1-CD1 3.88Å; L354-L377 HydrophobicContact CD2-CD1 3.8Å; L354-L377 HydrophobicContact CG-CD1 4.42Å; L354-D381 HydrophobicContact CB-CB 3.8Å; L354-D381 HydrophobicContact CD2-CB 4.16Å; L354-L382 HydrophobicContact CD2-CD2 3.66Å; L354-L382 HydrophobicContact CD2-CG 4.02Å; L354-L393 HydrophobicContact CD1-CD2 4.19Å
355	S	82.9	Confident	81	Confident	75 Å²	75	57.7 Å²	57.7	52%	0.524	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-61.8	-25.3	172.5	-74.2	0	0	0	0	113.1	S353 L357 G358	S353-S355 PolarHBondContact O-N 3.02Å; S353-S355 WeakPolarHBondContact OG-CB 3.47Å; S353-S355 PolarHBondContact OG-N 2.76Å; S353-S355 VanDerWaalsContact OG-N 3.14Å; S355-L357 PolarHBondContact O-N 3.37Å; S355-G358 PolarHBondContact O-N 3.35Å
356	D	81.1	Confident	81.3	Confident	94 Å²	94	56.5 Å²	56.5	50%	0.503	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-66.7	-21.2	178	-54.9	-31.5	0	0	0	112.2	I351 E352 S353 L354	I351-D356 HydrophobicContact CG2-CB 4.45Å; E352-D356 PolarHBondContact N-OD2 2.92Å; S353-D356 PolarHBondContact N-OD2 3.21Å; S353-D356 VanDerWaalsContact O-CB 3.26Å; S353-D356 WeakPolarHBondContact O-CB 3.16Å; S353-D356 VanDerWaalsContact O-CG 3.26Å; S353-D356 PolarHBondContact O-N 3.08Å; S353-D356 VanDerWaalsContact O-OD2 3.11Å; L354-D356 PolarHBondContact O-N 2.97Å
357	L	81.6	Confident	81.6	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.016	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-75.4	-22.1	178.1	-55.1	179.9	0	0	0	112.8	P329 C332 I351 L354 S355 L369	P329-L357 WeakPolarHBondContact CB-O 3.02Å; C332-L357 VanDerWaalsContact SG-CD2 3.55Å; I351-L357 HydrophobicContact CD1-CD2 3.77Å; L354-L357 VanDerWaalsContact O-CB 3.32Å; L354-L357 WeakPolarHBondContact O-CB 3.27Å; L354-L357 WeakPolarHBondContact O-CG 3.01Å; L354-L357 PolarHBondContact O-N 3.43Å; S355-L357 PolarHBondContact O-N 3.37Å; L357-L369 HydrophobicContact CD1-CD1 4.27Å; L357-L369 HydrophobicContact CD1-CD2 4.18Å
358	G	78.8	Confident	81.9	Confident	38 Å²	38	54.9 Å²	54.9	39%	0.392	30%	0.3	S	S	.	.			trans	59.7	-152.3	-172.1	0	0	0	0	0	113.5	S355	S355-G358 PolarHBondContact O-N 3.35Å
359	P	82.2	Confident	82.4	Confident	83 Å²	83	49.6 Å²	49.6	54%	0.539	28%	0.275	S	S	.	.	S	Bend	trans	-74.1	133.3	-170.9	29.6	-34.5	0	0	0	112.4	Y327	Y327-P359 HydrophobicContact CE1-CG 4.36Å
360	P	84.8	Confident	82.4	Confident	28 Å²	28	43.6 Å²	43.6	18%	0.182	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-69.1	156.2	-179.9	25.3	-32.5	0	0	0	113.7	P364 D384 Y385	P360-P364 HydrophobicContact CB-CG 4.31Å; P360-D384 HydrophobicContact CG-CB 3.67Å; P360-Y385 HydrophobicContact CB-CD1 4.26Å; P360-Y385 HydrophobicContact CB-CE1 3.69Å; P360-Y385 HydrophobicContact CB-CE2 4.33Å; P360-Y385 HydrophobicContact CG-CD2 4.45Å; P360-Y385 HydrophobicContact CG-CE1 4.3Å; P360-Y385 HydrophobicContact CG-CE2 4.16Å
361	P	82.1	Confident	82	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.019	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-60.3	158.4	167.3	26.9	-34.7	0	0	0	111.3	I326 Y327 V342 M344 N363 P364	I326-P361 HydrophobicContact CG2-CB 3.89Å; Y327-P361 WeakPolarHBondContact O-CB 3.43Å; V342-P361 HydrophobicContact CB-CG 4.25Å; V342-P361 HydrophobicContact CG1-CB 4.19Å; V342-P361 HydrophobicContact CG1-CG 3.73Å; V342-P361 HydrophobicContact CG2-CB 4.41Å; M344-P361 HydrophobicContact CE-CG 4.38Å; M344-P361 HydrophobicContact CG-CG 4.12Å; M344-P361 VanDerWaalsContact SD-CD 3.58Å; M344-P361 HydrophobicContact SD-CG 3.7Å; P361-N363 PolarHBondContact O-N 2.67Å; P361-P364 VanDerWaalsContact O-CD 3.32Å; P361-P364 WeakPolarHBondContact O-CD 2.93Å
362	P	80.6	Confident	81.9	Confident	87 Å²	87	39.3 Å²	39.3	57%	0.565	24%	0.239	S	C	*	.	S	Bend	trans	-64.5	125.6	179.7	25.9	-34.5	0	0	0	112.5
363	N	77.8	Confident	82	Confident	108 Å²	108	35.1 Å²	35.1	58%	0.578	22%	0.22	S	C	*	.	S	Bend	trans	59.3	65.3	-177.3	-58.2	-65.7	0	0	0	114.8	V342 P361	V342-N363 PolarHBondContact N-O 2.8Å; P361-N363 PolarHBondContact O-N 2.67Å
364	P	82.4	Confident	82.3	Confident	4 Å²	4	33.9 Å²	33.9	3%	0.026	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	134.2	169	31.8	-35.6	0	0	0	110.2	M344 P360 P361 Y385 S387 L388	M344-P364 HydrophobicContact SD-CB 4Å; P360-P364 HydrophobicContact CB-CG 4.31Å; P361-P364 VanDerWaalsContact O-CD 3.32Å; P361-P364 WeakPolarHBondContact O-CD 2.93Å; P364-Y385 HydrophobicContact CB-CD1 4.25Å; P364-Y385 HydrophobicContact CG-CD1 3.99Å; P364-S387 VanDerWaalsContact CD-OG 3.28Å; P364-S387 WeakPolarHBondContact CD-OG 3.34Å; P364-S387 CarbonylContact O-C 3.27Å; P364-S387 PolarHBondContact O-OG 2.77Å; P364-L388 HydrophobicContact CB-CD2 4.04Å; P364-L388 PolarHBondContact O-N 2.68Å
365	K	79.8	Confident	82.6	Confident	38 Å²	38	38.7 Å²	38.7	17%	0.165	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	-37.5	-178.6	-78.7	-69.2	-170.8	178.3	0	113.3	S340 V342 E389 M390	S340-K365 VanDerWaalsContact O-CB 3.32Å; S340-K365 WeakPolarHBondContact O-CB 3.2Å; S340-K365 WeakPolarHBondContact O-CG 3.33Å; V342-K365 PolarHBondContact O-N 2.86Å; K365-E389 HydrophobicContact CD-CG 4.01Å; K365-E389 IonicContact NZ-OE1 3.67Å; K365-E389 PolarHBondContact NZ-OE1 2.79Å; K365-E389 PolarHBondContact O-N 2.84Å; K365-M390 PolarHBondContact O-N 3.07Å
366	K	78.5	Confident	83.1	Confident	43 Å²	43	37.9 Å²	37.9	19%	0.187	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	136.4	172.3	-61.8	-164.6	164.6	-158.4	0	109.7	D217 V342 L343 M344 M390	D217-K366 IonicContact OD1-NZ 3.02Å; D217-K366 PolarHBondContact OD1-NZ 3.12Å; D217-K366 IonicContact OD2-NZ 2.63Å; D217-K366 PolarHBondContact OD2-NZ 3.03Å; V342-K366 PolarHBondContact O-N 3.5Å; L343-K366 WeakPolarHBondContact CA-O 3.33Å; L343-K366 HydrophobicContact CB-CB 4.01Å; L343-K366 HydrophobicContact CD1-CB 3.45Å; L343-K366 VanDerWaalsContact CD1-CB 3.45Å; L343-K366 HydrophobicContact CD1-CD 3.96Å; L343-K366 HydrophobicContact CD1-CG 4.3Å; L343-K366 HydrophobicContact CD2-CD 4.3Å; L343-K366 HydrophobicContact CG-CB 4.25Å; M344-K366 PolarHBondContact N-O 2.02Å; K366-M390 WeakPolarHBondContact CA-O 3.36Å; K366-M390 HydrophobicContact CB-CB 4.29Å; K366-M390 HydrophobicContact CD-CB 4.41Å; K366-M390 HydrophobicContact CD-SD 3.61Å; K366-M390 WeakPolarHBondContact CE-SD 3.09Å; K366-M390 HydrophobicContact CG-CB 3.91Å; K366-M390 HydrophobicContact CG-SD 4.15Å; K366-M390 PolarHBondContact NZ-SD 3.07Å
367	L	84.6	Confident	83.7	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	120.3	171.4	176.4	60.3	0	0	0	109.5	M344 L369 Y385 L388 M390 L391 H392	M344-L367 HydrophobicContact CB-CD1 3.76Å; M344-L367 HydrophobicContact CE-CD1 4.15Å; M344-L367 HydrophobicContact SD-CD1 4.31Å; L367-L369 HydrophobicContact CD1-CD1 4.09Å; L367-L369 HydrophobicContact CD1-CG 4.11Å; L367-L369 HydrophobicContact CD2-CD1 3.76Å; L367-L369 HydrophobicContact CG-CD1 3.83Å; L367-L369 HydrophobicContact CG-CG 4.18Å; L367-Y385 HydrophobicContact CD2-CD1 3.97Å; L367-Y385 HydrophobicContact CD2-CE1 3.72Å; L367-L388 HydrophobicContact CB-CD1 4.06Å; L367-L388 HydrophobicContact CB-CD2 3.93Å; L367-L388 HydrophobicContact CD2-CD1 4.43Å; L367-M390 PolarHBondContact N-O 3.17Å; L367-L391 HydrophobicContact CB-CD1 4.04Å; L367-L391 HydrophobicContact CD2-CD1 3.86Å; L367-L391 HydrophobicContact CG-CD1 4.03Å; L367-H392 PolarHBondContact O-N 3.06Å
368	I	79.6	Confident	84.2	Confident	16 Å²	16	36.8 Å²	36.8	8%	0.082	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	112.8	-179.3	-57.9	176.5	0	0	0	108.8	L343 M344 C346 Q347 A370 H392	L343-I368 HydrophobicContact CD1-CD1 3.87Å; L343-I368 HydrophobicContact CD1-CG1 4.25Å; M344-I368 PolarHBondContact O-N 3.04Å; C346-I368 CarbonylContact C-O 3.2Å; C346-I368 WeakPolarHBondContact CA-O 3.32Å; C346-I368 WeakPolarHBondContact CB-O 3.35Å; C346-I368 PolarHBondContact N-O 3.18Å; Q347-I368 HydrophobicContact CB-CG2 4.47Å; I368-A370 HydrophobicContact CG2-CB 4.33Å; I368-H392 HydrophobicContact CG1-CB 4.39Å; I368-H392 HydrophobicContact CG2-CB 4.37Å
369	L	83.9	Confident	84.8	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.218	C	C	.	.			trans	-122	22.7	-178.1	-80	162.3	0	0	0	111.8	C346 I351 L354 L357 L367 N372 I374 H392 L393 N396	C346-L369 HydrophobicContact CB-CD2 3.43Å; C346-L369 VanDerWaalsContact CB-CD2 3.43Å; C346-L369 HydrophobicContact CB-CG 4.09Å; I351-L369 HydrophobicContact CD1-CD2 3.72Å; L354-L369 HydrophobicContact CD1-CD1 4.03Å; L354-L369 HydrophobicContact CD2-CD1 4.12Å; L354-L369 HydrophobicContact CG-CD1 3.83Å; L357-L369 HydrophobicContact CD1-CD1 4.27Å; L357-L369 HydrophobicContact CD1-CD2 4.18Å; L367-L369 HydrophobicContact CD1-CD1 4.09Å; L367-L369 HydrophobicContact CD1-CG 4.11Å; L367-L369 HydrophobicContact CD2-CD1 3.76Å; L367-L369 HydrophobicContact CG-CD1 3.83Å; L367-L369 HydrophobicContact CG-CG 4.18Å; L369-N372 PolarHBondContact O-ND2 2.82Å; L369-I374 HydrophobicContact CB-CD1 4.25Å; L369-I374 HydrophobicContact CD1-CD1 4.46Å; L369-I374 HydrophobicContact CD2-CD1 4.38Å; L369-H392 WeakPolarHBondContact CA-O 3.45Å; L369-H392 PolarHBondContact N-O 3Å; L369-L393 HydrophobicContact CB-CD2 3.92Å; L369-L393 HydrophobicContact CD1-CD2 3.86Å; L369-N396 PolarHBondContact O-ND2 2.72Å
370	A	77.3	Confident	85.1	Confident	9 Å²	9	38.5 Å²	38.5	7%	0.074	22%	0.217	C	C	.	.			trans	-55.6	151.9	178.4	0	0	0	0	0	113.1	Q347 E348 I368 N372 G394	Q347-A370 WeakPolarHBondContact CA-O 3.17Å; Q347-A370 HydrophobicContact CB-CB 4.46Å; Q347-A370 HydrophobicContact CG-CB 4.12Å; Q347-A370 WeakPolarHBondContact CG-O 3.24Å; E348-A370 PolarHBondContact N-O 3.26Å; E348-A370 VanDerWaalsContact N-O 3.16Å; I368-A370 HydrophobicContact CG2-CB 4.33Å; A370-N372 VanDerWaalsContact C-N 3.33Å; A370-N372 PolarHBondContact O-N 2.03Å; A370-N372 PolarHBondContact O-ND2 2.8Å; A370-N372 VanDerWaalsContact O-ND2 3.13Å; A370-G394 WeakPolarHBondContact CA-O 3.37Å
371	G	74.3	Confident	85.3	Confident	31 Å²	31	37.8 Å²	37.8	32%	0.32	21%	0.211	S	C	.	.	S	Bend	trans	62.6	35.8	171.8	0	0	0	0	0	114.1	E348 N395	E348-G371 WeakPolarHBondContact CA-O 3.28Å; G371-N395 WeakPolarHBondContact CA-O 3.22Å; G371-N395 PolarHBondContact N-O 2.87Å
372	N	84.5	Confident	85.8	Confident	5 Å²	5	37.7 Å²	37.7	3%	0.027	21%	0.211	C	C	.	.			trans	-114.5	-175.5	176	-75.7	-71.8	0	0	0	110.7	C346 R349 N350 I351 L369 A370 I374 N396	C346-N372 PolarHBondContact O-ND2 2.86Å; R349-N372 PolarHBondContact N-OD1 2.72Å; N350-N372 PolarHBondContact N-OD1 3.09Å; N350-N372 VanDerWaalsContact N-OD1 3.09Å; I351-N372 HydrophobicContact CB-CB 4.24Å; I351-N372 PolarHBondContact N-OD1 2.91Å; L369-N372 PolarHBondContact O-ND2 2.82Å; A370-N372 VanDerWaalsContact C-N 3.33Å; A370-N372 PolarHBondContact O-N 2.03Å; A370-N372 PolarHBondContact O-ND2 2.8Å; A370-N372 VanDerWaalsContact O-ND2 3.13Å; N372-I374 HydrophobicContact CB-CD1 4.31Å; N372-I374 HydrophobicContact CB-CG1 4.3Å; N372-N396 WeakPolarHBondContact CA-OD1 3.45Å; N372-N396 VanDerWaalsContact CB-OD1 3.25Å; N372-N396 WeakPolarHBondContact CB-OD1 3.38Å; N372-N396 PolarHBondContact O-OD1 3.37Å
373	I	91.4	Very high	86.2	Confident	41 Å²	41	36.7 Å²	36.7	21%	0.21	20%	0.203	C	C	.	.			trans	-114.6	26.8	-173.1	55.6	176	0	0	0	112.4	N350 I351 E352 Q375	N350-I373 HydrophobicContact CB-CD1 4.37Å; I351-I373 CarbonylContact O-C 3.21Å; I351-I373 VanDerWaalsContact O-CG1 3.26Å; I351-I373 WeakPolarHBondContact O-CG1 3.22Å; I351-I373 PolarHBondContact O-N 2.92Å; I351-I373 VanDerWaalsContact O-N 3.08Å; E352-I373 HydrophobicContact CG-CD1 3.61Å; E352-I373 HydrophobicContact CG-CG1 3.84Å; I373-Q375 PolarHBondContact O-N 2.74Å
374	I	93.8	Very high	86.7	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.204	C	C	.	.			trans	-64.9	123	179.7	-55.9	161.5	0	0	0	109.3	I351 E352 L354 L369 N372 L393 N396 R397 I398	I351-I374 HydrophobicContact CG2-CG1 4.37Å; I351-I374 PolarHBondContact O-N 3.41Å; E352-I374 WeakPolarHBondContact O-CA 3.26Å; L354-I374 HydrophobicContact CD1-CD1 3.68Å; L354-I374 HydrophobicContact CD1-CG1 4.39Å; L354-I374 HydrophobicContact CD1-CG2 4.13Å; L369-I374 HydrophobicContact CB-CD1 4.25Å; L369-I374 HydrophobicContact CD1-CD1 4.46Å; L369-I374 HydrophobicContact CD2-CD1 4.38Å; N372-I374 HydrophobicContact CB-CD1 4.31Å; N372-I374 HydrophobicContact CB-CG1 4.3Å; I374-L393 HydrophobicContact CD1-CD2 4.13Å; I374-N396 WeakPolarHBondContact CB-OD1 3.41Å; I374-N396 WeakPolarHBondContact CD1-OD1 3.38Å; I374-N396 WeakPolarHBondContact CG1-OD1 3.44Å; I374-N396 PolarHBondContact N-OD1 3.44Å; I374-R397 CarbonylContact O-C 3.55Å; I374-R397 WeakPolarHBondContact O-CA 3.41Å; I374-R397 PolarHBondContact O-N 3.28Å; I374-I398 HydrophobicContact CB-CG1 4.35Å; I374-I398 HydrophobicContact CG2-CD1 4.43Å; I374-I398 HydrophobicContact CG2-CG1 4.14Å; I374-I398 VanDerWaalsContact O-CG1 3.31Å; I374-I398 WeakPolarHBondContact O-CG1 3.42Å; I374-I398 PolarHBondContact O-N 2.85Å; I374-I398 VanDerWaalsContact O-N 3.13Å
375	Q	93	Very high	87	Confident	107 Å²	107	37 Å²	37	50%	0.5	20%	0.204	S	C	.	.			trans	-104.7	-28.5	-177.2	-74.5	163.8	63.3	0	0	113.9	I373 R397 I398 E399 I400	I373-Q375 PolarHBondContact O-N 2.74Å; Q375-R397 WeakPolarHBondContact CA-O 3.46Å; Q375-R397 HydrophobicContact CG-CB 3.91Å; Q375-I398 WeakPolarHBondContact O-CA 3.32Å; Q375-E399 PolarHBondContact O-N 2.82Å; Q375-I400 PolarHBondContact O-N 3.29Å
376	T	92.9	Very high	87.5	Confident	57 Å²	57	37 Å²	37	35%	0.35	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	134.1	-174.8	62.3	0	0	0	0	110.6	I400	T376-I400 WeakPolarHBondContact CA-O 3.3Å; T376-I400 HydrophobicContact CG2-CB 4.14Å; T376-I400 HydrophobicContact CG2-CD1 4.36Å
377	L	94.1	Very high	88	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	107.3	174.9	-173.6	71.6	0	0	0	110.7	L354 D381 L382 L393 I400 L401 E402 S405 F406	L354-L377 HydrophobicContact CD1-CD1 3.88Å; L354-L377 HydrophobicContact CD2-CD1 3.8Å; L354-L377 HydrophobicContact CG-CD1 4.42Å; L377-D381 HydrophobicContact CD1-CB 4.2Å; L377-L382 HydrophobicContact CD1-CD1 4Å; L377-L382 HydrophobicContact CD1-CG 4.39Å; L377-L382 HydrophobicContact CD2-CD1 3.82Å; L377-L382 HydrophobicContact CG-CD1 4.28Å; L377-L393 HydrophobicContact CD1-CD1 4.5Å; L377-L393 HydrophobicContact CD2-CD1 4.12Å; L377-I400 PolarHBondContact N-O 3.3Å; L377-L401 HydrophobicContact CB-CD2 3.72Å; L377-L401 HydrophobicContact CD2-CD2 3.74Å; L377-L401 HydrophobicContact CG-CD2 4.39Å; L377-E402 PolarHBondContact O-N 3.44Å; L377-S405 PolarHBondContact O-OG 2.8Å; L377-F406 HydrophobicContact CD2-CD1 4.46Å; L377-F406 HydrophobicContact CD2-CE1 3.53Å; L377-F406 HydrophobicContact CD2-CZ 3.66Å
378	L	92.1	Very high	88.2	Confident	74 Å²	74	35.7 Å²	35.7	39%	0.387	21%	0.207	S	C	.	.			trans	-85.1	157	-176.8	-55.5	177.6	0	0	0	111.7	S380 D381 S405	L378-S380 PolarHBondContact O-N 3.43Å; L378-D381 WeakPolarHBondContact CB-OD2 3.42Å; L378-D381 PolarHBondContact N-OD2 2.87Å; L378-D381 WeakPolarHBondContact O-CB 3.17Å; L378-D381 PolarHBondContact O-N 3.5Å; L378-D381 VanDerWaalsContact O-N 3.08Å; L378-S405 VanDerWaalsContact C-OG 3.31Å; L378-S405 PolarHBondContact O-OG 2.89Å
379	K	90.4	Very high	88.4	Confident	84 Å²	84	38.3 Å²	38.3	37%	0.365	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.9	-180	-174.1	165.4	-167.3	155.2	0	113.8	V383 E402 E403 S405	K379-V383 WeakPolarHBondContact O-CG2 3.45Å; K379-E402 HydrophobicContact CB-CB 4.49Å; K379-E402 HydrophobicContact CB-CG 4.31Å; K379-E402 WeakPolarHBondContact CB-OE2 3.39Å; K379-E402 PolarHBondContact N-OE2 3.48Å; K379-E403 PolarHBondContact NZ-O 3.41Å; K379-S405 PolarHBondContact N-OG 3.01Å
380	S	89.1	Confident	88.5	Confident	73 Å²	73	39 Å²	39	51%	0.51	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-33.4	173.1	42.6	0	0	0	0	113.7	L378 L382 V383	L378-S380 PolarHBondContact O-N 3.43Å; S380-L382 VanDerWaalsContact C-N 3.31Å; S380-L382 PolarHBondContact O-N 3.04Å; S380-V383 WeakPolarHBondContact O-CG2 3.27Å; S380-V383 PolarHBondContact O-N 2.69Å
381	D	89.9	Confident	89.1	Confident	12 Å²	12	38.5 Å²	38.5	6%	0.064	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-27.7	-156.9	-63.5	-12.2	0	0	0	113.5	L354 L377 L378 Y385	L354-D381 HydrophobicContact CB-CB 3.8Å; L354-D381 HydrophobicContact CD2-CB 4.16Å; L377-D381 HydrophobicContact CD1-CB 4.2Å; L378-D381 WeakPolarHBondContact CB-OD2 3.42Å; L378-D381 PolarHBondContact N-OD2 2.87Å; L378-D381 WeakPolarHBondContact O-CB 3.17Å; L378-D381 PolarHBondContact O-N 3.5Å; L378-D381 VanDerWaalsContact O-N 3.08Å; D381-Y385 WeakPolarHBondContact O-CD2 3.5Å
382	L	91.5	Very high	89.6	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.01	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	10.7	-175.5	-68.2	168	0	0	0	113.3	L354 L377 S380 D384 Y385 L391 F406 L409	L354-L382 HydrophobicContact CD2-CD2 3.66Å; L354-L382 HydrophobicContact CD2-CG 4.02Å; L377-L382 HydrophobicContact CD1-CD1 4Å; L377-L382 HydrophobicContact CD1-CG 4.39Å; L377-L382 HydrophobicContact CD2-CD1 3.82Å; L377-L382 HydrophobicContact CG-CD1 4.28Å; S380-L382 VanDerWaalsContact C-N 3.31Å; S380-L382 PolarHBondContact O-N 3.04Å; L382-D384 PolarHBondContact O-N 3.46Å; L382-Y385 HydrophobicContact CD2-CD2 4.21Å; L382-Y385 HydrophobicContact CD2-CG 4.21Å; L382-Y385 PolarHBondContact O-N 3.06Å; L382-L391 HydrophobicContact CD1-CD2 3.89Å; L382-L391 HydrophobicContact CD2-CD2 4.16Å; L382-F406 HydrophobicContact CD1-CD1 3.79Å; L382-F406 HydrophobicContact CD1-CE1 3.79Å; L382-L409 HydrophobicContact CB-CD2 4.43Å; L382-L409 HydrophobicContact CD1-CD1 4.15Å
383	V	89.6	Confident	90	Very high	65 Å²	65	38.3 Å²	38.3	39%	0.394	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-58.7	-48.6	-177.4	169.9	0	0	0	0	112	K379 S380 Y385 N408	K379-V383 WeakPolarHBondContact O-CG2 3.45Å; S380-V383 WeakPolarHBondContact O-CG2 3.27Å; S380-V383 PolarHBondContact O-N 2.69Å; V383-Y385 VanDerWaalsContact C-N 3.27Å; V383-Y385 PolarHBondContact O-N 2.96Å; V383-N408 PolarHBondContact O-ND2 2.79Å
384	D	87.9	Confident	89.5	Confident	115 Å²	115	36.4 Å²	36.4	62%	0.615	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-80.2	-7.8	-177.5	-65.8	-33.7	0	0	0	113.3	P360 L382 A386	P360-D384 HydrophobicContact CG-CB 3.67Å; L382-D384 PolarHBondContact O-N 3.46Å; D384-A386 VanDerWaalsContact C-N 3.31Å; D384-A386 PolarHBondContact O-N 2.93Å
385	Y	89.4	Confident	88.8	Confident	5 Å²	5	40 Å²	40	2%	0.02	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-90.1	14	-176	-70.8	-90.4	0	0	0	113.7	M344 P360 P364 L367 D381 L382 V383 S387 L388 L409	M344-Y385 HydrophobicContact CE-CE1 4.17Å; M344-Y385 HydrophobicContact SD-CE1 4.06Å; P360-Y385 HydrophobicContact CB-CD1 4.26Å; P360-Y385 HydrophobicContact CB-CE1 3.69Å; P360-Y385 HydrophobicContact CB-CE2 4.33Å; P360-Y385 HydrophobicContact CG-CD2 4.45Å; P360-Y385 HydrophobicContact CG-CE1 4.3Å; P360-Y385 HydrophobicContact CG-CE2 4.16Å; P364-Y385 HydrophobicContact CB-CD1 4.25Å; P364-Y385 HydrophobicContact CG-CD1 3.99Å; L367-Y385 HydrophobicContact CD2-CD1 3.97Å; L367-Y385 HydrophobicContact CD2-CE1 3.72Å; D381-Y385 WeakPolarHBondContact O-CD2 3.5Å; L382-Y385 HydrophobicContact CD2-CD2 4.21Å; L382-Y385 HydrophobicContact CD2-CG 4.21Å; L382-Y385 PolarHBondContact O-N 3.06Å; V383-Y385 VanDerWaalsContact C-N 3.27Å; V383-Y385 PolarHBondContact O-N 2.96Å; Y385-S387 PolarHBondContact O-N 3.48Å; Y385-L388 HydrophobicContact CD1-CD1 4.1Å; Y385-L388 HydrophobicContact CD1-CG 4.36Å; Y385-L388 HydrophobicContact CG-CD1 4.35Å; Y385-L388 WeakPolarHBondContact O-CB 3.46Å; Y385-L388 WeakPolarHBondContact O-CG 3.18Å; Y385-L388 PolarHBondContact O-N 2.92Å; Y385-L409 VanDerWaalsContact O-CD2 3.3Å; Y385-L409 WeakPolarHBondContact O-CD2 3.2Å
386	A	90.1	Very high	88.6	Confident	38 Å²	38	35.3 Å²	35.3	31%	0.314	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-7.6	-174	0	0	0	0	0	117.1	D384 N408	D384-A386 VanDerWaalsContact C-N 3.31Å; D384-A386 PolarHBondContact O-N 2.93Å; A386-N408 HydrophobicContact CB-CB 4.11Å; A386-N408 WeakPolarHBondContact CB-O 3.46Å
387	S	88.9	Confident	88.5	Confident	14 Å²	14	39.2 Å²	39.2	10%	0.098	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-4.8	176.8	54.5	0	0	0	0	115.2	P364 Y385	P364-S387 VanDerWaalsContact CD-OG 3.28Å; P364-S387 WeakPolarHBondContact CD-OG 3.34Å; P364-S387 CarbonylContact O-C 3.27Å; P364-S387 PolarHBondContact O-OG 2.77Å; Y385-S387 PolarHBondContact O-N 3.48Å
388	L	89.2	Confident	88.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.			trans	-57.2	142.6	178.9	-74.6	-179.5	0	0	0	113	P364 L367 Y385 L391 R411 L412	P364-L388 HydrophobicContact CB-CD2 4.04Å; P364-L388 PolarHBondContact O-N 2.68Å; L367-L388 HydrophobicContact CB-CD1 4.06Å; L367-L388 HydrophobicContact CB-CD2 3.93Å; L367-L388 HydrophobicContact CD2-CD1 4.43Å; Y385-L388 HydrophobicContact CD1-CD1 4.1Å; Y385-L388 HydrophobicContact CD1-CG 4.36Å; Y385-L388 HydrophobicContact CG-CD1 4.35Å; Y385-L388 WeakPolarHBondContact O-CB 3.46Å; Y385-L388 WeakPolarHBondContact O-CG 3.18Å; Y385-L388 PolarHBondContact O-N 2.92Å; L388-L391 HydrophobicContact CD1-CB 4.37Å; L388-L391 HydrophobicContact CD1-CD1 4.29Å; L388-R411 CarbonylContact O-C 3.5Å; L388-R411 WeakPolarHBondContact O-CB 3.23Å; L388-L412 HydrophobicContact CB-CD1 3.82Å; L388-L412 WeakPolarHBondContact O-CA 3.35Å; L388-L412 PolarHBondContact O-N 3.33Å
389	E	83.4	Confident	88.7	Confident	72 Å²	72	41.4 Å²	41.4	34%	0.336	21%	0.213	S	C	.	.	S	Bend	trans	-113.3	-22.6	171.1	-67.5	175.2	176.2	0	0	111.2	K365 Q413 K414	K365-E389 HydrophobicContact CD-CG 4.01Å; K365-E389 IonicContact NZ-OE1 3.67Å; K365-E389 PolarHBondContact NZ-OE1 2.79Å; K365-E389 PolarHBondContact O-N 2.84Å; E389-Q413 PolarHBondContact O-N 3.48Å; E389-K414 PolarHBondContact O-N 2.82Å
390	M	85	Confident	88.8	Confident	13 Å²	13	42.1 Å²	42.1	6%	0.064	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	132	177.2	-169.9	179.6	-169.6	0	0	110.9	K365 K366 L367 K414 Y416	K365-M390 PolarHBondContact O-N 3.07Å; K366-M390 WeakPolarHBondContact CA-O 3.36Å; K366-M390 HydrophobicContact CB-CB 4.29Å; K366-M390 HydrophobicContact CD-CB 4.41Å; K366-M390 HydrophobicContact CD-SD 3.61Å; K366-M390 WeakPolarHBondContact CE-SD 3.09Å; K366-M390 HydrophobicContact CG-CB 3.91Å; K366-M390 HydrophobicContact CG-SD 4.15Å; K366-M390 PolarHBondContact NZ-SD 3.07Å; L367-M390 PolarHBondContact N-O 3.17Å; M390-K414 WeakPolarHBondContact CA-O 3.44Å; M390-K414 HydrophobicContact CG-CB 4.16Å; M390-Y416 HydrophobicContact CE-CE2 3.59Å; M390-Y416 HydrophobicContact CG-CE2 4.23Å
391	L	91.3	Very high	89	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	119	175.3	176.3	58.4	0	0	0	109	L367 L382 L388 L393 F406 L409 L412 K414 L415 Y416	L367-L391 HydrophobicContact CB-CD1 4.04Å; L367-L391 HydrophobicContact CD2-CD1 3.86Å; L367-L391 HydrophobicContact CG-CD1 4.03Å; L382-L391 HydrophobicContact CD1-CD2 3.89Å; L382-L391 HydrophobicContact CD2-CD2 4.16Å; L388-L391 HydrophobicContact CD1-CB 4.37Å; L388-L391 HydrophobicContact CD1-CD1 4.29Å; L391-L393 HydrophobicContact CD1-CD1 4.25Å; L391-L393 HydrophobicContact CD1-CG 4.07Å; L391-L393 HydrophobicContact CD2-CD1 3.91Å; L391-L393 HydrophobicContact CG-CD1 4.02Å; L391-L393 HydrophobicContact CG-CG 4.13Å; L391-F406 HydrophobicContact CD2-CD1 4.45Å; L391-F406 HydrophobicContact CD2-CE1 4.07Å; L391-L409 HydrophobicContact CD2-CD1 3.85Å; L391-L412 HydrophobicContact CB-CD1 3.78Å; L391-L412 HydrophobicContact CB-CD2 4.17Å; L391-K414 PolarHBondContact N-O 3.49Å; L391-L415 HydrophobicContact CB-CD1 4.06Å; L391-L415 HydrophobicContact CD2-CD1 3.98Å; L391-L415 HydrophobicContact CG-CD1 4.02Å; L391-L415 WeakPolarHBondContact O-CA 3.09Å; L391-Y416 PolarHBondContact O-N 2.89Å
392	H	84.9	Confident	89.1	Confident	32 Å²	32	43.1 Å²	43.1	15%	0.148	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	104.5	179.4	-166.5	-60.3	0	0	0	111.1	L367 I368 L369 G394 Y416	L367-H392 PolarHBondContact O-N 3.06Å; I368-H392 HydrophobicContact CG1-CB 4.39Å; I368-H392 HydrophobicContact CG2-CB 4.37Å; L369-H392 WeakPolarHBondContact CA-O 3.45Å; L369-H392 PolarHBondContact N-O 3Å; H392-G394 PolarHBondContact ND1-N 2.93Å; H392-Y416 HydrophobicContact CB-CD2 4.02Å; H392-Y416 HydrophobicContact CB-CG 4.45Å; H392-Y416 AromaticContact CD2-CD1 3.85Å; H392-Y416 AromaticContact CD2-CD2 3.49Å; H392-Y416 VanDerWaalsContact CD2-CD2 3.49Å; H392-Y416 WeakPolarHBondContact CD2-CD2 3.26Å; H392-Y416 AromaticContact CD2-CG 3.34Å; H392-Y416 AromaticContact CG-CD2 4Å; H392-Y416 AromaticContact CG-CG 3.98Å; H392-Y416 AromaticContact NE2-CG 3.83Å
393	L	91.3	Very high	89.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.237	C	C	.	.			trans	-113.1	13.2	176.7	-70.9	166.6	0	0	0	111.9	L354 L369 I374 L377 L391 N396 I398 Y416 L417 N420	L354-L393 HydrophobicContact CD1-CD2 4.19Å; L369-L393 HydrophobicContact CB-CD2 3.92Å; L369-L393 HydrophobicContact CD1-CD2 3.86Å; I374-L393 HydrophobicContact CD1-CD2 4.13Å; L377-L393 HydrophobicContact CD1-CD1 4.5Å; L377-L393 HydrophobicContact CD2-CD1 4.12Å; L391-L393 HydrophobicContact CD1-CD1 4.25Å; L391-L393 HydrophobicContact CD1-CG 4.07Å; L391-L393 HydrophobicContact CD2-CD1 3.91Å; L391-L393 HydrophobicContact CG-CD1 4.02Å; L391-L393 HydrophobicContact CG-CG 4.13Å; L393-N396 PolarHBondContact O-ND2 3.16Å; L393-I398 HydrophobicContact CB-CD1 4.03Å; L393-I398 HydrophobicContact CD2-CD1 4.49Å; L393-Y416 CarbonylContact C-O 3.52Å; L393-Y416 WeakPolarHBondContact CA-O 3.01Å; L393-Y416 PolarHBondContact N-O 3.05Å; L393-L417 HydrophobicContact CB-CD2 3.95Å; L393-L417 HydrophobicContact CD1-CD2 4.14Å; L393-N420 PolarHBondContact O-ND2 2.8Å
394	G	80.9	Confident	89.2	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.			trans	-63.8	161.8	178.1	0	0	0	0	0	113.7	A370 H392 N396 Y416 N418	A370-G394 WeakPolarHBondContact CA-O 3.37Å; H392-G394 PolarHBondContact ND1-N 2.93Å; G394-N396 PolarHBondContact O-N 3.39Å; G394-N396 PolarHBondContact O-ND2 2.98Å; G394-Y416 PolarHBondContact N-O 3.01Å; G394-N418 CarbonylContact C-O 3.48Å; G394-N418 WeakPolarHBondContact CA-O 3.45Å; G394-N418 WeakPolarHBondContact CA-OD1 3.47Å
395	N	80.6	Confident	89.4	Confident	75 Å²	75	39.3 Å²	39.3	40%	0.401	19%	0.192	S	C	.	.	S	Bend	trans	49.4	58.5	-178.5	-63.8	0.6	0	0	0	111.9	G371 N418 G419	G371-N395 WeakPolarHBondContact CA-O 3.22Å; G371-N395 PolarHBondContact N-O 2.87Å; N395-N418 PolarHBondContact N-O 3.02Å; N395-G419 WeakPolarHBondContact CA-O 3.44Å; N395-G419 PolarHBondContact N-O 3.2Å
396	N	87.8	Confident	89.7	Confident	9 Å²	9	39.1 Å²	39.1	5%	0.048	19%	0.192	C	C	.	.	S	Bend	trans	-130.4	-163.6	177.2	-90.6	-95.1	0	0	0	109	L369 N372 I374 L393 G394 I398 G419 N420	L369-N396 PolarHBondContact O-ND2 2.72Å; N372-N396 WeakPolarHBondContact CA-OD1 3.45Å; N372-N396 VanDerWaalsContact CB-OD1 3.25Å; N372-N396 WeakPolarHBondContact CB-OD1 3.38Å; N372-N396 PolarHBondContact O-OD1 3.37Å; I374-N396 WeakPolarHBondContact CB-OD1 3.41Å; I374-N396 WeakPolarHBondContact CD1-OD1 3.38Å; I374-N396 WeakPolarHBondContact CG1-OD1 3.44Å; I374-N396 PolarHBondContact N-OD1 3.44Å; L393-N396 PolarHBondContact O-ND2 3.16Å; G394-N396 PolarHBondContact O-N 3.39Å; G394-N396 PolarHBondContact O-ND2 2.98Å; N396-I398 HydrophobicContact CB-CD1 4.3Å; N396-I398 HydrophobicContact CB-CG1 4.09Å; N396-G419 PolarHBondContact N-O 2.95Å; N396-G419 VanDerWaalsContact N-O 3.08Å; N396-N420 WeakPolarHBondContact CA-OD1 3.46Å; N396-N420 WeakPolarHBondContact CB-OD1 3.31Å; N396-N420 PolarHBondContact O-OD1 3.06Å
397	R	92.1	Very high	89.8	Confident	140 Å²	140	42 Å²	42	53%	0.528	20%	0.2	S	C	.	.			trans	-117.7	25	-179	-60.8	-174.9	179.4	-163.7	-2.3	112.4	I374 Q375 E399 N420	I374-R397 CarbonylContact O-C 3.55Å; I374-R397 WeakPolarHBondContact O-CA 3.41Å; I374-R397 PolarHBondContact O-N 3.28Å; Q375-R397 WeakPolarHBondContact CA-O 3.46Å; Q375-R397 HydrophobicContact CG-CB 3.91Å; R397-E399 PolarHBondContact O-N 3.33Å; R397-N420 PolarHBondContact N-OD1 2.98Å
398	I	95.5	Very high	89.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.213	C	C	.	.			trans	-69.9	108.6	-167.5	-56	171	0	0	0	109.8	I374 Q375 L393 N396 L401 L417 N420 H421 L422	I374-I398 HydrophobicContact CB-CG1 4.35Å; I374-I398 HydrophobicContact CG2-CD1 4.43Å; I374-I398 HydrophobicContact CG2-CG1 4.14Å; I374-I398 VanDerWaalsContact O-CG1 3.31Å; I374-I398 WeakPolarHBondContact O-CG1 3.42Å; I374-I398 PolarHBondContact O-N 2.85Å; I374-I398 VanDerWaalsContact O-N 3.13Å; Q375-I398 WeakPolarHBondContact O-CA 3.32Å; L393-I398 HydrophobicContact CB-CD1 4.03Å; L393-I398 HydrophobicContact CD2-CD1 4.49Å; N396-I398 HydrophobicContact CB-CD1 4.3Å; N396-I398 HydrophobicContact CB-CG1 4.09Å; I398-L401 HydrophobicContact CG2-CD2 3.68Å; I398-L401 HydrophobicContact CG2-CG 4.22Å; I398-L417 HydrophobicContact CD1-CD2 4.43Å; I398-N420 HydrophobicContact CB-CB 4.36Å; I398-N420 VanDerWaalsContact CB-OD1 3.26Å; I398-N420 WeakPolarHBondContact CB-OD1 3.34Å; I398-N420 VanDerWaalsContact CG1-OD1 3.28Å; I398-N420 WeakPolarHBondContact CG1-OD1 3.45Å; I398-N420 PolarHBondContact N-OD1 3.03Å; I398-H421 CarbonylContact O-C 3.07Å; I398-H421 VanDerWaalsContact O-C 3.26Å; I398-H421 WeakPolarHBondContact O-CA 3.15Å; I398-H421 PolarHBondContact O-N 3.33Å; I398-L422 HydrophobicContact CG2-CD2 3.97Å; I398-L422 WeakPolarHBondContact O-CD2 3.22Å; I398-L422 PolarHBondContact O-N 2.97Å
399	E	93.6	Very high	90.1	Very high	121 Å²	121	44.6 Å²	44.6	57%	0.565	21%	0.213	S	C	*	.			trans	-94.4	-35.2	172.3	-175	-179	-177.7	0	0	110.9	Q375 R397 H421	Q375-E399 PolarHBondContact O-N 2.82Å; R397-E399 PolarHBondContact O-N 3.33Å; E399-H421 HydrophobicContact CB-CB 4.29Å
400	I	92.3	Very high	90.5	Very high	99 Å²	99	43.9 Å²	43.9	51%	0.508	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	119.1	-171.4	-52.5	177	0	0	0	111.2	Q375 T376 L377	Q375-I400 PolarHBondContact O-N 3.29Å; T376-I400 WeakPolarHBondContact CA-O 3.3Å; T376-I400 HydrophobicContact CG2-CB 4.14Å; T376-I400 HydrophobicContact CG2-CD1 4.36Å; L377-I400 PolarHBondContact N-O 3.3Å
401	L	94.1	Very high	90.8	Very high	18 Å²	18	49.5 Å²	49.5	9%	0.094	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126	164.3	-61.2	174	0	0	0	108.6	L377 I398 F406 L417 L422 L429	L377-L401 HydrophobicContact CB-CD2 3.72Å; L377-L401 HydrophobicContact CD2-CD2 3.74Å; L377-L401 HydrophobicContact CG-CD2 4.39Å; I398-L401 HydrophobicContact CG2-CD2 3.68Å; I398-L401 HydrophobicContact CG2-CG 4.22Å; L401-F406 HydrophobicContact CD1-CE2 4.42Å; L401-F406 HydrophobicContact CD2-CZ 4.39Å; L401-L417 HydrophobicContact CD1-CD1 4.33Å; L401-L422 HydrophobicContact CD1-CD1 3.97Å; L401-L422 HydrophobicContact CD1-CD2 3.68Å; L401-L422 HydrophobicContact CD2-CD2 4.41Å; L401-L422 HydrophobicContact CG-CD2 3.65Å; L401-L429 HydrophobicContact CB-CD2 3.97Å; L401-L429 HydrophobicContact CD1-CD1 4.38Å; L401-L429 WeakPolarHBondContact O-CD2 3.48Å
402	E	93	Very high	91	Very high	87 Å²	87	49.5 Å²	49.5	41%	0.407	23%	0.234	S	C	.	.			trans	-73	148.5	173.8	-161.7	-173.6	160.4	0	0	111.7	L377 K379 G404 S405	L377-E402 PolarHBondContact O-N 3.44Å; K379-E402 HydrophobicContact CB-CB 4.49Å; K379-E402 HydrophobicContact CB-CG 4.31Å; K379-E402 WeakPolarHBondContact CB-OE2 3.39Å; K379-E402 PolarHBondContact N-OE2 3.48Å; E402-G404 PolarHBondContact O-N 3.1Å; E402-G404 VanDerWaalsContact O-N 3.16Å; E402-S405 WeakPolarHBondContact CB-OG 3.45Å; E402-S405 PolarHBondContact O-N 3.18Å; E402-S405 VanDerWaalsContact O-N 3.11Å; E402-S405 PolarHBondContact O-OG 3.38Å; E402-S405 VanDerWaalsContact O-OG 3.11Å
403	E	91.7	Very high	91.1	Very high	94 Å²	94	51.1 Å²	51.1	44%	0.439	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	113.8	-177	-65.5	-152.8	142.9	0	0	112.3	K379 S426 N428 L429	K379-E403 PolarHBondContact NZ-O 3.41Å; E403-S426 PolarHBondContact OE1-OG 2.71Å; E403-N428 HydrophobicContact CB-CB 3.82Å; E403-N428 VanDerWaalsContact CD-CB 3.41Å; E403-N428 HydrophobicContact CG-CB 3.95Å; E403-N428 WeakPolarHBondContact OE2-CB 3.39Å; E403-N428 PolarHBondContact OE2-ND2 3.43Å; E403-L429 HydrophobicContact CG-CD2 4.35Å
404	G	89.9	Confident	90.7	Very high	3 Å²	3	52 Å²	52	3%	0.031	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	23.1	-174	0	0	0	0	0	114.7	E402 F406 M407 N428	E402-G404 PolarHBondContact O-N 3.1Å; E402-G404 VanDerWaalsContact O-N 3.16Å; G404-F406 PolarHBondContact O-N 3.3Å; G404-M407 WeakPolarHBondContact O-CB 3.42Å; G404-M407 PolarHBondContact O-N 3.22Å; G404-N428 PolarHBondContact N-O 2.94Å
405	S	92.8	Very high	91.4	Very high	5 Å²	5	52 Å²	52	4%	0.035	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.7	169.1	-66.3	0	0	0	0	113.4	L377 L378 K379 E402	L377-S405 PolarHBondContact O-OG 2.8Å; L378-S405 VanDerWaalsContact C-OG 3.31Å; L378-S405 PolarHBondContact O-OG 2.89Å; K379-S405 PolarHBondContact N-OG 3.01Å; E402-S405 WeakPolarHBondContact CB-OG 3.45Å; E402-S405 PolarHBondContact O-N 3.18Å; E402-S405 VanDerWaalsContact O-N 3.11Å; E402-S405 PolarHBondContact O-OG 3.38Å; E402-S405 VanDerWaalsContact O-OG 3.11Å
406	F	94.9	Very high	91.7	Very high	1 Å²	1	48.6 Å²	48.6	0%	0.004	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	6.2	175.7	-53.5	-54.4	0	0	0	114.3	L377 L382 L391 L401 G404 N408 L409 L415 L417 L429 F430 L431 L433	L377-F406 HydrophobicContact CD2-CD1 4.46Å; L377-F406 HydrophobicContact CD2-CE1 3.53Å; L377-F406 HydrophobicContact CD2-CZ 3.66Å; L382-F406 HydrophobicContact CD1-CD1 3.79Å; L382-F406 HydrophobicContact CD1-CE1 3.79Å; L391-F406 HydrophobicContact CD2-CD1 4.45Å; L391-F406 HydrophobicContact CD2-CE1 4.07Å; L401-F406 HydrophobicContact CD1-CE2 4.42Å; L401-F406 HydrophobicContact CD2-CZ 4.39Å; G404-F406 PolarHBondContact O-N 3.3Å; F406-N408 PolarHBondContact O-N 3.2Å; F406-L409 HydrophobicContact CD1-CD1 3.98Å; F406-L409 WeakPolarHBondContact O-CB 3.34Å; F406-L409 PolarHBondContact O-N 3.02Å; F406-L415 HydrophobicContact CD2-CD2 4.47Å; F406-L415 HydrophobicContact CE1-CD1 4.39Å; F406-L415 HydrophobicContact CE1-CD2 4.48Å; F406-L415 HydrophobicContact CE2-CD2 4.19Å; F406-L415 HydrophobicContact CZ-CD2 4.2Å; F406-L417 HydrophobicContact CE2-CD1 4.3Å; F406-L417 HydrophobicContact CZ-CD1 4.11Å; F406-L429 WeakPolarHBondContact CD2-O 3.48Å; F406-F430 HydrophobicContact CD2-CD1 4.18Å; F406-F430 HydrophobicContact CE2-CD1 4.27Å; F406-F430 HydrophobicContact CE2-CE1 4.32Å; F406-L431 CarbonylContact C-O 3.55Å; F406-L431 VanDerWaalsContact C-O 3.23Å; F406-L433 HydrophobicContact CB-CD1 3.97Å; F406-L433 HydrophobicContact CB-CD2 3.87Å; F406-L433 HydrophobicContact CB-CG 3.8Å; F406-L433 HydrophobicContact CD2-CD1 4.06Å; F406-L433 HydrophobicContact CG-CD1 4.13Å; F406-L433 HydrophobicContact CG-CG 4.48Å
407	M	92.6	Very high	92	Very high	100 Å²	100	48.2 Å²	48.2	49%	0.493	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.5	-168.6	-171.2	170.3	-171.6	0	0	114.8	G404 L431	G404-M407 WeakPolarHBondContact O-CB 3.42Å; G404-M407 PolarHBondContact O-N 3.22Å; M407-L431 VanDerWaalsContact CA-O 3.23Å; M407-L431 WeakPolarHBondContact CA-O 3.39Å; M407-L431 PolarHBondContact N-O 2.75Å
408	N	90.3	Very high	91.8	Very high	68 Å²	68	42.6 Å²	42.6	36%	0.364	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-14.5	178.3	-74.5	12.2	0	0	0	113.8	V383 A386 F406 T410	V383-N408 PolarHBondContact O-ND2 2.79Å; A386-N408 HydrophobicContact CB-CB 4.11Å; A386-N408 WeakPolarHBondContact CB-O 3.46Å; F406-N408 PolarHBondContact O-N 3.2Å; N408-T410 PolarHBondContact O-N 3.07Å
409	L	93.9	Very high	91	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.214	C	C	.	.			trans	-82	47.1	-169.6	-56.9	-167	0	0	0	113.3	L382 Y385 L391 F406 R411 L412 L433	L382-L409 HydrophobicContact CB-CD2 4.43Å; L382-L409 HydrophobicContact CD1-CD1 4.15Å; Y385-L409 VanDerWaalsContact O-CD2 3.3Å; Y385-L409 WeakPolarHBondContact O-CD2 3.2Å; L391-L409 HydrophobicContact CD2-CD1 3.85Å; F406-L409 HydrophobicContact CD1-CD1 3.98Å; F406-L409 WeakPolarHBondContact O-CB 3.34Å; F406-L409 PolarHBondContact O-N 3.02Å; L409-R411 PolarHBondContact O-N 2.86Å; L409-L412 HydrophobicContact CB-CB 4.17Å; L409-L412 HydrophobicContact CD1-CD1 4.49Å; L409-L412 HydrophobicContact CD1-CD2 4.09Å; L409-L412 WeakPolarHBondContact O-CB 3.5Å; L409-L412 PolarHBondContact O-N 3.09Å; L409-L412 VanDerWaalsContact O-N 3.07Å; L409-L433 HydrophobicContact CB-CD2 3.98Å
410	T	92.5	Very high	90.9	Very high	57 Å²	57	37.9 Å²	37.9	35%	0.35	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-7.7	-173.6	60.8	0	0	0	0	116.1	N408 G432 H435	N408-T410 PolarHBondContact O-N 3.07Å; T410-G432 WeakPolarHBondContact CA-O 3.38Å; T410-H435 PolarHBondContact O-ND1 3.36Å
411	R	91.6	Very high	90.9	Very high	131 Å²	131	38 Å²	38	49%	0.494	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-3.2	-179.5	-67.5	177.5	175.3	165.6	-0.5	114.1	L388 L409 Q413	L388-R411 CarbonylContact O-C 3.5Å; L388-R411 WeakPolarHBondContact O-CB 3.23Å; L409-R411 PolarHBondContact O-N 2.86Å; R411-Q413 PolarHBondContact O-N 3.27Å
412	L	94.9	Very high	91	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.			trans	-64.6	133.1	-176.5	-157.3	73.8	0	0	0	110.4	L388 L391 L409 L415 L433 H435 L436	L388-L412 HydrophobicContact CB-CD1 3.82Å; L388-L412 WeakPolarHBondContact O-CA 3.35Å; L388-L412 PolarHBondContact O-N 3.33Å; L391-L412 HydrophobicContact CB-CD1 3.78Å; L391-L412 HydrophobicContact CB-CD2 4.17Å; L409-L412 HydrophobicContact CB-CB 4.17Å; L409-L412 HydrophobicContact CD1-CD1 4.49Å; L409-L412 HydrophobicContact CD1-CD2 4.09Å; L409-L412 WeakPolarHBondContact O-CB 3.5Å; L409-L412 PolarHBondContact O-N 3.09Å; L409-L412 VanDerWaalsContact O-N 3.07Å; L412-L415 HydrophobicContact CD2-CB 3.92Å; L412-L415 HydrophobicContact CD2-CD1 4.14Å; L412-L415 HydrophobicContact CD2-CD2 4.36Å; L412-L415 HydrophobicContact CD2-CG 4.37Å; L412-L433 HydrophobicContact CB-CD2 3.88Å; L412-L433 HydrophobicContact CD2-CD2 3.63Å; L412-L433 HydrophobicContact CG-CD2 4.39Å; L412-H435 CarbonylContact O-C 3.26Å; L412-L436 HydrophobicContact CB-CD1 4.23Å; L412-L436 HydrophobicContact CD2-CD1 3.97Å; L412-L436 HydrophobicContact CG-CD1 3.98Å; L412-L436 VanDerWaalsContact O-CA 3.25Å; L412-L436 WeakPolarHBondContact O-CA 3.04Å; L412-L436 PolarHBondContact O-N 3.2Å
413	Q	87.4	Confident	91.1	Very high	66 Å²	66	36 Å²	36	31%	0.308	18%	0.18	S	C	.	.			trans	-115.3	-37.7	-178.2	-73	160.7	60.2	0	0	112.1	E389 R411 E437 Y438	E389-Q413 PolarHBondContact O-N 3.48Å; R411-Q413 PolarHBondContact O-N 3.27Å; Q413-E437 PolarHBondContact O-N 3.02Å; Q413-Y438 PolarHBondContact O-N 2.79Å
414	K	82.3	Confident	91.2	Very high	18 Å²	18	35.8 Å²	35.8	8%	0.078	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	121.5	178.8	-66.7	178.8	170.5	173.1	0	109.9	E216 D244 E389 M390 L391 Y416 Y438	E216-K414 IonicContact OE1-NZ 3.95Å; E216-K414 PolarHBondContact OE1-NZ 3.05Å; D244-K414 IonicContact OD2-NZ 2.69Å; D244-K414 PolarHBondContact OD2-NZ 3.15Å; E389-K414 PolarHBondContact O-N 2.82Å; M390-K414 WeakPolarHBondContact CA-O 3.44Å; M390-K414 HydrophobicContact CG-CB 4.16Å; L391-K414 PolarHBondContact N-O 3.49Å; K414-Y416 HydrophobicContact CB-CE2 3.86Å; K414-Y438 HydrophobicContact CD-CD2 4.28Å; K414-Y438 HydrophobicContact CG-CD2 3.59Å; K414-Y438 HydrophobicContact CG-CE2 4.35Å; K414-Y438 HydrophobicContact CG-CG 4.07Å
415	L	95.1	Very high	91.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120.6	177.5	176.6	57.9	0	0	0	110.3	L391 F406 L412 L417 F430 L433 L436 Y438 L439 Y440	L391-L415 HydrophobicContact CB-CD1 4.06Å; L391-L415 HydrophobicContact CD2-CD1 3.98Å; L391-L415 HydrophobicContact CG-CD1 4.02Å; L391-L415 WeakPolarHBondContact O-CA 3.09Å; F406-L415 HydrophobicContact CD2-CD2 4.47Å; F406-L415 HydrophobicContact CE1-CD1 4.39Å; F406-L415 HydrophobicContact CE1-CD2 4.48Å; F406-L415 HydrophobicContact CE2-CD2 4.19Å; F406-L415 HydrophobicContact CZ-CD2 4.2Å; L412-L415 HydrophobicContact CD2-CB 3.92Å; L412-L415 HydrophobicContact CD2-CD1 4.14Å; L412-L415 HydrophobicContact CD2-CD2 4.36Å; L412-L415 HydrophobicContact CD2-CG 4.37Å; L415-L417 HydrophobicContact CD1-CD1 4.35Å; L415-L417 HydrophobicContact CD1-CG 4.19Å; L415-L417 HydrophobicContact CD2-CD1 3.94Å; L415-L417 HydrophobicContact CG-CD1 4.07Å; L415-L417 HydrophobicContact CG-CG 4.22Å; L415-F430 HydrophobicContact CD2-CE1 4.5Å; L415-L433 HydrophobicContact CD2-CD1 3.81Å; L415-L436 HydrophobicContact CB-CD1 3.69Å; L415-L436 HydrophobicContact CB-CD2 4.1Å; L415-Y438 PolarHBondContact N-O 3.01Å; L415-Y438 VanDerWaalsContact N-O 3.07Å; L415-L439 HydrophobicContact CB-CD1 4.18Å; L415-L439 HydrophobicContact CD2-CD1 3.93Å; L415-L439 HydrophobicContact CG-CD1 4.04Å; L415-Y440 PolarHBondContact O-N 3.3Å; L415-Y440 VanDerWaalsContact O-N 3.07Å
416	Y	87.8	Confident	91.5	Very high	4 Å²	4	36 Å²	36	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.2	177.9	-52.5	-99.9	0	0	0	110.3	M390 L391 H392 L393 G394 K414 Y440	M390-Y416 HydrophobicContact CE-CE2 3.59Å; M390-Y416 HydrophobicContact CG-CE2 4.23Å; L391-Y416 PolarHBondContact O-N 2.89Å; H392-Y416 HydrophobicContact CB-CD2 4.02Å; H392-Y416 HydrophobicContact CB-CG 4.45Å; H392-Y416 AromaticContact CD2-CD1 3.85Å; H392-Y416 AromaticContact CD2-CD2 3.49Å; H392-Y416 VanDerWaalsContact CD2-CD2 3.49Å; H392-Y416 WeakPolarHBondContact CD2-CD2 3.26Å; H392-Y416 AromaticContact CD2-CG 3.34Å; H392-Y416 AromaticContact CG-CD2 4Å; H392-Y416 AromaticContact CG-CG 3.98Å; H392-Y416 AromaticContact NE2-CG 3.83Å; L393-Y416 CarbonylContact C-O 3.52Å; L393-Y416 WeakPolarHBondContact CA-O 3.01Å; L393-Y416 PolarHBondContact N-O 3.05Å; G394-Y416 PolarHBondContact N-O 3.01Å; K414-Y416 HydrophobicContact CB-CE2 3.86Å; Y416-Y440 HydrophobicContact CD1-CD1 4.47Å; Y416-Y440 AromaticContact CD1-CD2 3.3Å; Y416-Y440 HydrophobicContact CD1-CD2 3.3Å; Y416-Y440 AromaticContact CD1-CE2 3.82Å; Y416-Y440 HydrophobicContact CD1-CE2 3.82Å; Y416-Y440 AromaticContact CD1-CG 3.68Å; Y416-Y440 HydrophobicContact CD1-CG 3.68Å; Y416-Y440 HydrophobicContact CE1-CD1 4.44Å; Y416-Y440 AromaticContact CE1-CD2 3.29Å; Y416-Y440 HydrophobicContact CE1-CD2 3.29Å; Y416-Y440 HydrophobicContact CE1-CE1 4.43Å; Y416-Y440 AromaticContact CE1-CE2 3.25Å; Y416-Y440 HydrophobicContact CE1-CE2 3.25Å; Y416-Y440 AromaticContact CE1-CG 3.92Å; Y416-Y440 HydrophobicContact CE1-CG 3.92Å; Y416-Y440 AromaticContact CE1-CZ 3.86Å; Y416-Y440 AromaticContact CG-CD2 3.99Å; Y416-Y440 HydrophobicContact CG-CD2 3.99Å; Y416-Y440 AromaticContact CZ-CD2 3.96Å; Y416-Y440 AromaticContact CZ-CE2 3.66Å
417	L	94.1	Very high	91.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.2	C	C	.	.			trans	-129	13.4	176.5	-73.5	166.2	0	0	0	111.1	L393 I398 L401 F406 L415 N420 L422 F430 Y440 L441 N444	L393-L417 HydrophobicContact CB-CD2 3.95Å; L393-L417 HydrophobicContact CD1-CD2 4.14Å; I398-L417 HydrophobicContact CD1-CD2 4.43Å; L401-L417 HydrophobicContact CD1-CD1 4.33Å; F406-L417 HydrophobicContact CE2-CD1 4.3Å; F406-L417 HydrophobicContact CZ-CD1 4.11Å; L415-L417 HydrophobicContact CD1-CD1 4.35Å; L415-L417 HydrophobicContact CD1-CG 4.19Å; L415-L417 HydrophobicContact CD2-CD1 3.94Å; L415-L417 HydrophobicContact CG-CD1 4.07Å; L415-L417 HydrophobicContact CG-CG 4.22Å; L417-N420 PolarHBondContact O-ND2 3.25Å; L417-N420 VanDerWaalsContact O-ND2 3.12Å; L417-L422 HydrophobicContact CB-CD1 4.25Å; L417-F430 HydrophobicContact CD1-CE1 4.26Å; L417-Y440 CarbonylContact C-O 3.6Å; L417-Y440 WeakPolarHBondContact CA-O 3.06Å; L417-Y440 PolarHBondContact N-O 3.33Å; L417-L441 HydrophobicContact CB-CD2 3.7Å; L417-L441 HydrophobicContact CD1-CD2 3.98Å; L417-N444 PolarHBondContact O-ND2 3.17Å
418	N	87.7	Confident	91	Very high	23 Å²	23	38.7 Å²	38.7	12%	0.123	19%	0.193	C	C	.	.			trans	-61.8	154.3	177.6	62.3	-60.5	0	0	0	112.6	G394 N395 N420 Y440 E442	G394-N418 CarbonylContact C-O 3.48Å; G394-N418 WeakPolarHBondContact CA-O 3.45Å; G394-N418 WeakPolarHBondContact CA-OD1 3.47Å; N395-N418 PolarHBondContact N-O 3.02Å; N418-N420 PolarHBondContact O-ND2 3.47Å; N418-N420 VanDerWaalsContact O-ND2 3.1Å; N418-Y440 PolarHBondContact N-O 3.23Å; N418-E442 CarbonylContact C-O 3.23Å; N418-E442 WeakPolarHBondContact CA-O 3.25Å; N418-E442 VanDerWaalsContact CB-CD 3.47Å; N418-E442 HydrophobicContact CB-CG 3.82Å; N418-E442 WeakPolarHBondContact CB-O 3.4Å; N418-E442 WeakPolarHBondContact CB-OE1 3.32Å
419	G	77.8	Confident	91.2	Very high	17 Å²	17	36 Å²	36	18%	0.175	18%	0.178	C	C	.	.	S	Bend	trans	60.7	53.4	177.5	0	0	0	0	0	112.5	N395 N396 E442 Y443	N395-G419 WeakPolarHBondContact CA-O 3.44Å; N395-G419 PolarHBondContact N-O 3.2Å; N396-G419 PolarHBondContact N-O 2.95Å; N396-G419 VanDerWaalsContact N-O 3.08Å; G419-E442 PolarHBondContact N-O 3.3Å; G419-Y443 WeakPolarHBondContact CA-O 3.46Å; G419-Y443 PolarHBondContact N-O 3.02Å
420	N	91.4	Very high	91.2	Very high	5 Å²	5	36 Å²	36	3%	0.027	18%	0.178	C	C	.	.	S	Bend	trans	-137.4	-167.8	-179.1	-86.3	-76.1	0	0	0	110	L393 N396 R397 I398 L417 N418 L422 Y443 N444	L393-N420 PolarHBondContact O-ND2 2.8Å; N396-N420 WeakPolarHBondContact CA-OD1 3.46Å; N396-N420 WeakPolarHBondContact CB-OD1 3.31Å; N396-N420 PolarHBondContact O-OD1 3.06Å; R397-N420 PolarHBondContact N-OD1 2.98Å; I398-N420 HydrophobicContact CB-CB 4.36Å; I398-N420 VanDerWaalsContact CB-OD1 3.26Å; I398-N420 WeakPolarHBondContact CB-OD1 3.34Å; I398-N420 VanDerWaalsContact CG1-OD1 3.28Å; I398-N420 WeakPolarHBondContact CG1-OD1 3.45Å; I398-N420 PolarHBondContact N-OD1 3.03Å; L417-N420 PolarHBondContact O-ND2 3.25Å; L417-N420 VanDerWaalsContact O-ND2 3.12Å; N418-N420 PolarHBondContact O-ND2 3.47Å; N418-N420 VanDerWaalsContact O-ND2 3.1Å; N420-L422 HydrophobicContact CB-CG 4.46Å; N420-Y443 PolarHBondContact N-O 3.07Å; N420-Y443 VanDerWaalsContact N-O 3.14Å; N420-N444 WeakPolarHBondContact CA-OD1 3.34Å; N420-N444 WeakPolarHBondContact CB-OD1 3.3Å; N420-N444 PolarHBondContact O-OD1 2.86Å
421	H	93.3	Very high	91.2	Very high	100 Å²	100	36.5 Å²	36.5	46%	0.463	18%	0.178	S	C	.	.			trans	-119.3	25.3	-174.3	-57.7	-21.6	0	0	0	112.5	I398 E399 T423 N444	I398-H421 CarbonylContact O-C 3.07Å; I398-H421 VanDerWaalsContact O-C 3.26Å; I398-H421 WeakPolarHBondContact O-CA 3.15Å; I398-H421 PolarHBondContact O-N 3.33Å; E399-H421 HydrophobicContact CB-CB 4.29Å; H421-T423 PolarHBondContact O-N 3.28Å; H421-N444 PolarHBondContact N-OD1 3.31Å
422	L	95.7	Very high	91.1	Very high	5 Å²	5	31 Å²	31	3%	0.026	16%	0.162	C	C	.	.			trans	-63.9	129.6	-179.7	-57.1	177	0	0	0	110.3	I398 L401 L417 N420 L441 N444 A445 I446	I398-L422 HydrophobicContact CG2-CD2 3.97Å; I398-L422 WeakPolarHBondContact O-CD2 3.22Å; I398-L422 PolarHBondContact O-N 2.97Å; L401-L422 HydrophobicContact CD1-CD1 3.97Å; L401-L422 HydrophobicContact CD1-CD2 3.68Å; L401-L422 HydrophobicContact CD2-CD2 4.41Å; L401-L422 HydrophobicContact CG-CD2 3.65Å; L417-L422 HydrophobicContact CB-CD1 4.25Å; N420-L422 HydrophobicContact CB-CG 4.46Å; L422-L441 HydrophobicContact CD1-CD2 3.72Å; L422-N444 HydrophobicContact CB-CB 4.39Å; L422-N444 VanDerWaalsContact CB-OD1 3.29Å; L422-N444 WeakPolarHBondContact CB-OD1 3.19Å; L422-N444 VanDerWaalsContact CG-OD1 3.28Å; L422-N444 WeakPolarHBondContact CG-OD1 3.38Å; L422-N444 PolarHBondContact N-OD1 2.97Å; L422-A445 CarbonylContact O-C 3.48Å; L422-A445 VanDerWaalsContact O-CA 3.31Å; L422-A445 WeakPolarHBondContact O-CA 3.4Å; L422-A445 PolarHBondContact O-N 3.17Å; L422-I446 HydrophobicContact CB-CG1 4.12Å; L422-I446 WeakPolarHBondContact O-CG1 3.12Å; L422-I446 PolarHBondContact O-N 2.03Å
423	T	94.3	Very high	91.1	Very high	59 Å²	59	31 Å²	31	36%	0.362	16%	0.162	S	C	.	.			trans	-109.9	-19.8	-175.4	53.7	0	0	0	0	115	H421 A445 I446 K447	H421-T423 PolarHBondContact O-N 3.28Å; T423-A445 WeakPolarHBondContact CA-O 3.4Å; T423-A445 HydrophobicContact CG2-CB 4.03Å; T423-I446 WeakPolarHBondContact O-CA 2.98Å; T423-K447 PolarHBondContact O-N 3.31Å
424	K	94.3	Very high	91.4	Very high	89 Å²	89	33.2 Å²	33.2	39%	0.387	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	142.3	-177.7	177.4	165	-175	156.1	0	110.9	E448	K424-E448 WeakPolarHBondContact CA-O 3.27Å; K424-E448 HydrophobicContact CD-CB 4.45Å; K424-E448 VanDerWaalsContact CE-CD 3.43Å; K424-E448 WeakPolarHBondContact CE-OE1 3.31Å; K424-E448 VanDerWaalsContact CE-OE2 3.32Å; K424-E448 WeakPolarHBondContact CE-OE2 3.3Å; K424-E448 HydrophobicContact CG-CB 4.33Å; K424-E448 IonicContact NZ-OE1 2.73Å; K424-E448 PolarHBondContact NZ-OE1 2.94Å; K424-E448 IonicContact NZ-OE2 2.68Å; K424-E448 PolarHBondContact NZ-OE2 3.29Å
425	L	95.8	Very high	92	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	136.5	171.9	-52	-177.6	0	0	0	111.2	L429 F430 L441 I446 E448 V449 L450 T453 F454 L465	L425-L429 HydrophobicContact CD2-CD1 4.28Å; L425-F430 HydrophobicContact CB-CE2 4.38Å; L425-F430 HydrophobicContact CD1-CE2 4.16Å; L425-F430 HydrophobicContact CD1-CZ 4.47Å; L425-F430 HydrophobicContact CD2-CE2 4.21Å; L425-F430 HydrophobicContact CD2-CZ 4.11Å; L425-F430 HydrophobicContact CG-CE2 4.49Å; L425-L441 HydrophobicContact CD1-CD1 3.86Å; L425-I446 HydrophobicContact CD1-CD1 4.23Å; L425-I446 HydrophobicContact CD2-CD1 4Å; L425-I446 HydrophobicContact CG-CD1 4.18Å; L425-I446 HydrophobicContact CG-CG2 4.02Å; L425-E448 PolarHBondContact N-O 2.87Å; L425-V449 HydrophobicContact CB-CG1 4.37Å; L425-V449 HydrophobicContact CB-CG2 4.45Å; L425-V449 HydrophobicContact CD1-CG2 3.99Å; L425-V449 HydrophobicContact CG-CG2 4.34Å; L425-L450 PolarHBondContact O-N 3Å; L425-L450 VanDerWaalsContact O-N 3.07Å; L425-T453 HydrophobicContact CB-CG2 3.74Å; L425-T453 HydrophobicContact CD1-CG2 4.31Å; L425-F454 HydrophobicContact CD1-CE1 4.29Å; L425-F454 HydrophobicContact CD1-CZ 4.23Å; L425-L465 HydrophobicContact CD1-CD2 4.29Å
426	S	93.3	Very high	92	Very high	14 Å²	14	35.7 Å²	35.7	10%	0.098	18%	0.184	C	C	.	.			trans	-118	154	173.8	97.3	0	0	0	0	111.9	E403 N428 L429	E403-S426 PolarHBondContact OE1-OG 2.71Å; S426-N428 PolarHBondContact O-N 2.97Å; S426-N428 VanDerWaalsContact O-N 3.11Å; S426-N428 PolarHBondContact OG-N 3.15Å; S426-L429 PolarHBondContact O-N 2.97Å; S426-L429 VanDerWaalsContact O-N 3.15Å
427	Q	88.1	Confident	92.1	Very high	94 Å²	94	37.7 Å²	37.7	44%	0.439	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-27.2	172.4	-178.8	170	39.9	0	0	113.7
428	N	90.3	Very high	91.9	Very high	63 Å²	63	39.6 Å²	39.6	34%	0.337	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-14.8	-176.1	-62.5	-20	0	0	0	113.5	E403 G404 S426 L431	E403-N428 HydrophobicContact CB-CB 3.82Å; E403-N428 VanDerWaalsContact CD-CB 3.41Å; E403-N428 HydrophobicContact CG-CB 3.95Å; E403-N428 WeakPolarHBondContact OE2-CB 3.39Å; E403-N428 PolarHBondContact OE2-ND2 3.43Å; G404-N428 PolarHBondContact N-O 2.94Å; S426-N428 PolarHBondContact O-N 2.97Å; S426-N428 VanDerWaalsContact O-N 3.11Å; S426-N428 PolarHBondContact OG-N 3.15Å; N428-L431 HydrophobicContact CB-CD1 4.03Å
429	L	92.8	Very high	92.3	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.063	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-53.4	179.3	-61.9	-175.9	0	0	0	111.5	L401 E403 F406 L425 S426 L431	L401-L429 HydrophobicContact CB-CD2 3.97Å; L401-L429 HydrophobicContact CD1-CD1 4.38Å; L401-L429 WeakPolarHBondContact O-CD2 3.48Å; E403-L429 HydrophobicContact CG-CD2 4.35Å; F406-L429 WeakPolarHBondContact CD2-O 3.48Å; L425-L429 HydrophobicContact CD2-CD1 4.28Å; S426-L429 PolarHBondContact O-N 2.97Å; S426-L429 VanDerWaalsContact O-N 3.15Å; L429-L431 VanDerWaalsContact C-N 3.31Å; L429-L431 PolarHBondContact O-N 2.77Å
430	F	94.3	Very high	92.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	11.2	-172	-56.9	-64.1	0	0	0	114.2	F406 L415 L417 L425 G432 L433 L439 L441 T453 A456 M457	F406-F430 HydrophobicContact CD2-CD1 4.18Å; F406-F430 HydrophobicContact CE2-CD1 4.27Å; F406-F430 HydrophobicContact CE2-CE1 4.32Å; L415-F430 HydrophobicContact CD2-CE1 4.5Å; L417-F430 HydrophobicContact CD1-CE1 4.26Å; L425-F430 HydrophobicContact CB-CE2 4.38Å; L425-F430 HydrophobicContact CD1-CE2 4.16Å; L425-F430 HydrophobicContact CD1-CZ 4.47Å; L425-F430 HydrophobicContact CD2-CE2 4.21Å; L425-F430 HydrophobicContact CD2-CZ 4.11Å; L425-F430 HydrophobicContact CG-CE2 4.49Å; F430-G432 PolarHBondContact O-N 2.86Å; F430-L433 HydrophobicContact CB-CD1 4.07Å; F430-L433 HydrophobicContact CD1-CD1 3.86Å; F430-L433 HydrophobicContact CG-CD1 4.45Å; F430-L433 WeakPolarHBondContact O-CB 3.25Å; F430-L433 PolarHBondContact O-N 3.03Å; F430-L439 HydrophobicContact CE1-CD1 4.26Å; F430-L439 HydrophobicContact CE1-CD2 4.2Å; F430-L439 HydrophobicContact CZ-CD2 4.24Å; F430-L441 HydrophobicContact CZ-CD1 4.06Å; F430-T453 HydrophobicContact CD2-CG2 3.74Å; F430-T453 HydrophobicContact CE2-CG2 3.73Å; F430-A456 VanDerWaalsContact O-CB 3.27Å; F430-A456 WeakPolarHBondContact O-CB 3.19Å; F430-M457 HydrophobicContact CB-CE 3.65Å; F430-M457 HydrophobicContact CB-SD 3.95Å; F430-M457 HydrophobicContact CD1-CE 4.35Å; F430-M457 HydrophobicContact CD1-SD 4.43Å; F430-M457 HydrophobicContact CD2-CE 3.98Å; F430-M457 HydrophobicContact CG-CE 3.73Å; F430-M457 HydrophobicContact CG-SD 4.24Å
431	L	92.6	Very high	92.9	Very high	67 Å²	67	38.3 Å²	38.3	35%	0.351	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	138.6	173.5	-71	173.7	0	0	0	110.6	F406 M407 N428 L429 A456	F406-L431 CarbonylContact C-O 3.55Å; F406-L431 VanDerWaalsContact C-O 3.23Å; M407-L431 VanDerWaalsContact CA-O 3.23Å; M407-L431 WeakPolarHBondContact CA-O 3.39Å; M407-L431 PolarHBondContact N-O 2.75Å; N428-L431 HydrophobicContact CB-CD1 4.03Å; L429-L431 VanDerWaalsContact C-N 3.31Å; L429-L431 PolarHBondContact O-N 2.77Å; L431-A456 HydrophobicContact CD2-CB 4.46Å
432	G	89.9	Confident	92.4	Very high	15 Å²	15	34.6 Å²	34.6	16%	0.155	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	97	-22.5	-177.9	0	0	0	0	0	114.8	T410 F430 Q434	T410-G432 WeakPolarHBondContact CA-O 3.38Å; F430-G432 PolarHBondContact O-N 2.86Å; G432-Q434 PolarHBondContact O-N 2.87Å
433	L	95.3	Very high	91.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.			trans	-77.7	43.9	-171.5	-65.3	-179.5	0	0	0	115.3	F406 L409 L412 L415 F430 H435 L436 A456 M457	F406-L433 HydrophobicContact CB-CD1 3.97Å; F406-L433 HydrophobicContact CB-CD2 3.87Å; F406-L433 HydrophobicContact CB-CG 3.8Å; F406-L433 HydrophobicContact CD2-CD1 4.06Å; F406-L433 HydrophobicContact CG-CD1 4.13Å; F406-L433 HydrophobicContact CG-CG 4.48Å; L409-L433 HydrophobicContact CB-CD2 3.98Å; L412-L433 HydrophobicContact CB-CD2 3.88Å; L412-L433 HydrophobicContact CD2-CD2 3.63Å; L412-L433 HydrophobicContact CG-CD2 4.39Å; L415-L433 HydrophobicContact CD2-CD1 3.81Å; F430-L433 HydrophobicContact CB-CD1 4.07Å; F430-L433 HydrophobicContact CD1-CD1 3.86Å; F430-L433 HydrophobicContact CG-CD1 4.45Å; F430-L433 WeakPolarHBondContact O-CB 3.25Å; F430-L433 PolarHBondContact O-N 3.03Å; L433-H435 PolarHBondContact O-N 3.4Å; L433-L436 HydrophobicContact CB-CB 4.24Å; L433-L436 HydrophobicContact CD1-CD2 4.38Å; L433-L436 PolarHBondContact O-N 3.46Å; L433-L436 VanDerWaalsContact O-N 3.1Å; L433-A456 CarbonylContact C-O 3.55Å; L433-M457 HydrophobicContact CB-CG 3.64Å; L433-M457 HydrophobicContact CB-SD 4Å; L433-M457 HydrophobicContact CD1-SD 4Å; L433-M457 WeakPolarHBondContact O-CG 3.37Å
434	Q	93.4	Very high	91.6	Very high	112 Å²	112	35 Å²	35	52%	0.523	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-14.4	-174.1	-62.7	179.4	-1.8	0	0	115.6	G432	G432-Q434 PolarHBondContact O-N 2.87Å
435	H	94.3	Very high	91.6	Very high	71 Å²	71	32.1 Å²	32.1	33%	0.329	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	3.6	-178.3	-80.4	87.3	0	0	0	114.5	T410 L412 L433 E437 K459	T410-H435 PolarHBondContact O-ND1 3.36Å; L412-H435 CarbonylContact O-C 3.26Å; L433-H435 PolarHBondContact O-N 3.4Å; H435-E437 PolarHBondContact O-N 3.16Å; H435-K459 PolarHBondContact CD2-NZ 3.34Å; H435-K459 PolarHBondContact NE2-NZ 2.87Å
436	L	96.6	Very high	91.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.			trans	-68.8	130.4	-174.9	-156.8	79.3	0	0	0	110.9	L412 L415 L433 L439 M457 K459 L460	L412-L436 HydrophobicContact CB-CD1 4.23Å; L412-L436 HydrophobicContact CD2-CD1 3.97Å; L412-L436 HydrophobicContact CG-CD1 3.98Å; L412-L436 VanDerWaalsContact O-CA 3.25Å; L412-L436 WeakPolarHBondContact O-CA 3.04Å; L412-L436 PolarHBondContact O-N 3.2Å; L415-L436 HydrophobicContact CB-CD1 3.69Å; L415-L436 HydrophobicContact CB-CD2 4.1Å; L433-L436 HydrophobicContact CB-CB 4.24Å; L433-L436 HydrophobicContact CD1-CD2 4.38Å; L433-L436 PolarHBondContact O-N 3.46Å; L433-L436 VanDerWaalsContact O-N 3.1Å; L436-L439 HydrophobicContact CD2-CB 3.85Å; L436-L439 HydrophobicContact CD2-CD1 4.2Å; L436-L439 HydrophobicContact CD2-CD2 4.42Å; L436-L439 HydrophobicContact CD2-CG 4.38Å; L436-M457 HydrophobicContact CB-CB 4.41Å; L436-M457 HydrophobicContact CB-CG 4.17Å; L436-M457 HydrophobicContact CB-SD 4.13Å; L436-M457 HydrophobicContact CD2-SD 3.44Å; L436-M457 WeakPolarHBondContact CD2-SD 3.42Å; L436-M457 HydrophobicContact CG-SD 4.42Å; L436-K459 CarbonylContact O-C 3.45Å; L436-L460 HydrophobicContact CD2-CD1 4.23Å; L436-L460 WeakPolarHBondContact O-CA 3.29Å; L436-L460 PolarHBondContact O-N 2.98Å
437	E	88.3	Confident	91.7	Very high	46 Å²	46	37.2 Å²	37.2	22%	0.215	18%	0.181	C	C	.	.			trans	-111.5	-27.8	177.1	-57	-160.7	150.7	0	0	112.2	Q413 H435 K459 K461 V462	Q413-E437 PolarHBondContact O-N 3.02Å; H435-E437 PolarHBondContact O-N 3.16Å; E437-K459 HydrophobicContact CG-CB 4.44Å; E437-K461 HydrophobicContact CB-CD 4.35Å; E437-K461 VanDerWaalsContact CD-CE 3.5Å; E437-K461 PolarHBondContact O-N 2.92Å; E437-K461 WeakPolarHBondContact OE1-CE 3.42Å; E437-K461 IonicContact OE1-NZ 2.68Å; E437-K461 PolarHBondContact OE1-NZ 3.12Å; E437-K461 IonicContact OE2-NZ 2.69Å; E437-K461 PolarHBondContact OE2-NZ 3.09Å; E437-V462 PolarHBondContact O-N 3.03Å
438	Y	90	Very high	92	Very high	40 Å²	40	36.9 Å²	36.9	16%	0.157	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	127.2	-178.3	-52.2	-102.8	0	0	0	111.1	Q413 K414 L415 V462	Q413-Y438 PolarHBondContact O-N 2.79Å; K414-Y438 HydrophobicContact CD-CD2 4.28Å; K414-Y438 HydrophobicContact CG-CD2 3.59Å; K414-Y438 HydrophobicContact CG-CE2 4.35Å; K414-Y438 HydrophobicContact CG-CG 4.07Å; L415-Y438 PolarHBondContact N-O 3.01Å; L415-Y438 VanDerWaalsContact N-O 3.07Å; Y438-V462 HydrophobicContact CD1-CB 3.7Å; Y438-V462 HydrophobicContact CD1-CG1 4.35Å; Y438-V462 HydrophobicContact CD1-CG2 3.59Å; Y438-V462 HydrophobicContact CE1-CB 4.31Å; Y438-V462 HydrophobicContact CE1-CG2 3.66Å; Y438-V462 HydrophobicContact CG-CB 4.42Å
439	L	96.6	Very high	92.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	117.2	176.8	-178.3	52.5	0	0	0	110.7	L415 F430 L436 L441 F454 M457 L460 V462 L463 Y464	L415-L439 HydrophobicContact CB-CD1 4.18Å; L415-L439 HydrophobicContact CD2-CD1 3.93Å; L415-L439 HydrophobicContact CG-CD1 4.04Å; F430-L439 HydrophobicContact CE1-CD1 4.26Å; F430-L439 HydrophobicContact CE1-CD2 4.2Å; F430-L439 HydrophobicContact CZ-CD2 4.24Å; L436-L439 HydrophobicContact CD2-CB 3.85Å; L436-L439 HydrophobicContact CD2-CD1 4.2Å; L436-L439 HydrophobicContact CD2-CD2 4.42Å; L436-L439 HydrophobicContact CD2-CG 4.38Å; L439-L441 HydrophobicContact CD1-CD1 4.09Å; L439-L441 HydrophobicContact CD1-CG 4.06Å; L439-L441 HydrophobicContact CD2-CD1 3.82Å; L439-L441 HydrophobicContact CG-CD1 3.75Å; L439-L441 HydrophobicContact CG-CG 4.09Å; L439-F454 HydrophobicContact CD2-CD1 4.44Å; L439-F454 HydrophobicContact CD2-CE1 4.32Å; L439-M457 HydrophobicContact CD2-CE 3.83Å; L439-M457 HydrophobicContact CD2-SD 4.15Å; L439-L460 HydrophobicContact CB-CD1 3.74Å; L439-V462 PolarHBondContact N-O 3.33Å; L439-L463 HydrophobicContact CB-CD1 4.14Å; L439-L463 HydrophobicContact CD2-CD1 3.99Å; L439-L463 HydrophobicContact CG-CD1 4.05Å; L439-Y464 PolarHBondContact O-N 3.31Å
440	Y	87.6	Confident	92.3	Very high	18 Å²	18	36.1 Å²	36.1	7%	0.071	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	114.8	-179.4	-59.2	-89.8	0	0	0	109.6	L415 Y416 L417 N418 E442 Y464	L415-Y440 PolarHBondContact O-N 3.3Å; L415-Y440 VanDerWaalsContact O-N 3.07Å; Y416-Y440 HydrophobicContact CD1-CD1 4.47Å; Y416-Y440 AromaticContact CD1-CD2 3.3Å; Y416-Y440 HydrophobicContact CD1-CD2 3.3Å; Y416-Y440 AromaticContact CD1-CE2 3.82Å; Y416-Y440 HydrophobicContact CD1-CE2 3.82Å; Y416-Y440 AromaticContact CD1-CG 3.68Å; Y416-Y440 HydrophobicContact CD1-CG 3.68Å; Y416-Y440 HydrophobicContact CE1-CD1 4.44Å; Y416-Y440 AromaticContact CE1-CD2 3.29Å; Y416-Y440 HydrophobicContact CE1-CD2 3.29Å; Y416-Y440 HydrophobicContact CE1-CE1 4.43Å; Y416-Y440 AromaticContact CE1-CE2 3.25Å; Y416-Y440 HydrophobicContact CE1-CE2 3.25Å; Y416-Y440 AromaticContact CE1-CG 3.92Å; Y416-Y440 HydrophobicContact CE1-CG 3.92Å; Y416-Y440 AromaticContact CE1-CZ 3.86Å; Y416-Y440 AromaticContact CG-CD2 3.99Å; Y416-Y440 HydrophobicContact CG-CD2 3.99Å; Y416-Y440 AromaticContact CZ-CD2 3.96Å; Y416-Y440 AromaticContact CZ-CE2 3.66Å; L417-Y440 CarbonylContact C-O 3.6Å; L417-Y440 WeakPolarHBondContact CA-O 3.06Å; L417-Y440 PolarHBondContact N-O 3.33Å; N418-Y440 PolarHBondContact N-O 3.23Å; Y440-E442 VanDerWaalsContact C-OE2 3.3Å; Y440-E442 WeakPolarHBondContact CA-OE2 3.39Å; Y440-E442 VanDerWaalsContact CB-OE2 3.3Å; Y440-E442 WeakPolarHBondContact CB-OE2 3.47Å; Y440-Y464 AromaticContact CD1-CD2 3.71Å; Y440-Y464 HydrophobicContact CD1-CD2 3.71Å; Y440-Y464 HydrophobicContact CD1-CE2 4.32Å; Y440-Y464 HydrophobicContact CD1-CG 4.26Å; Y440-Y464 AromaticContact CE1-CD2 3.81Å; Y440-Y464 HydrophobicContact CE1-CD2 3.81Å; Y440-Y464 AromaticContact CE1-CE2 3.96Å; Y440-Y464 HydrophobicContact CE1-CE2 3.96Å; Y440-Y464 HydrophobicContact CE1-CG 4.49Å
441	L	94.1	Very high	92.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.199	C	C	.	.			trans	-132.1	11.5	-176.6	-73.7	163.9	0	0	0	112	L417 L422 L425 F430 L439 N444 I446 L463 Y464 L465 N468	L417-L441 HydrophobicContact CB-CD2 3.7Å; L417-L441 HydrophobicContact CD1-CD2 3.98Å; L422-L441 HydrophobicContact CD1-CD2 3.72Å; L425-L441 HydrophobicContact CD1-CD1 3.86Å; F430-L441 HydrophobicContact CZ-CD1 4.06Å; L439-L441 HydrophobicContact CD1-CD1 4.09Å; L439-L441 HydrophobicContact CD1-CG 4.06Å; L439-L441 HydrophobicContact CD2-CD1 3.82Å; L439-L441 HydrophobicContact CG-CD1 3.75Å; L439-L441 HydrophobicContact CG-CG 4.09Å; L441-N444 PolarHBondContact O-ND2 2.91Å; L441-N444 VanDerWaalsContact O-ND2 3.14Å; L441-I446 HydrophobicContact CB-CD1 4.17Å; L441-I446 HydrophobicContact CD2-CD1 4.41Å; L441-L463 HydrophobicContact CD1-CD1 4.46Å; L441-Y464 CarbonylContact C-O 3.57Å; L441-Y464 WeakPolarHBondContact CA-O 3.48Å; L441-Y464 WeakPolarHBondContact CB-O 3.11Å; L441-Y464 PolarHBondContact N-O 3.35Å; L441-L465 HydrophobicContact CB-CD2 3.81Å; L441-L465 HydrophobicContact CD1-CD2 3.93Å; L441-N468 PolarHBondContact O-ND2 3.19Å
442	E	82.8	Confident	92.1	Very high	21 Å²	21	37 Å²	37	10%	0.098	19%	0.186	C	C	.	.			trans	-62.7	156.5	176.7	65.9	-81	-172.3	0	0	112.8	N418 G419 Y440 N444 Y464 N466	N418-E442 CarbonylContact C-O 3.23Å; N418-E442 WeakPolarHBondContact CA-O 3.25Å; N418-E442 VanDerWaalsContact CB-CD 3.47Å; N418-E442 HydrophobicContact CB-CG 3.82Å; N418-E442 WeakPolarHBondContact CB-O 3.4Å; N418-E442 WeakPolarHBondContact CB-OE1 3.32Å; G419-E442 PolarHBondContact N-O 3.3Å; Y440-E442 VanDerWaalsContact C-OE2 3.3Å; Y440-E442 WeakPolarHBondContact CA-OE2 3.39Å; Y440-E442 VanDerWaalsContact CB-OE2 3.3Å; Y440-E442 WeakPolarHBondContact CB-OE2 3.47Å; E442-N444 PolarHBondContact O-N 2.82Å; E442-N444 PolarHBondContact O-ND2 3.37Å; E442-N444 VanDerWaalsContact O-ND2 3.16Å; E442-Y464 VanDerWaalsContact OE2-CB 3.32Å; E442-Y464 WeakPolarHBondContact OE2-CB 3.45Å; E442-N466 VanDerWaalsContact CA-O 3.23Å; E442-N466 WeakPolarHBondContact CA-O 3.2Å; E442-N466 WeakPolarHBondContact CB-O 3.21Å; E442-N466 WeakPolarHBondContact CB-OD1 3.49Å
443	Y	83.6	Confident	92.4	Very high	59 Å²	59	36.2 Å²	36.2	23%	0.231	18%	0.179	C	C	.	.	S	Bend	trans	55.2	53.8	-177.7	-47.5	-62.9	0	0	0	112.4	G419 N420 N466 N467 P830	G419-Y443 WeakPolarHBondContact CA-O 3.46Å; G419-Y443 PolarHBondContact N-O 3.02Å; N420-Y443 PolarHBondContact N-O 3.07Å; N420-Y443 VanDerWaalsContact N-O 3.14Å; Y443-N466 PolarHBondContact N-O 3.47Å; Y443-N467 WeakPolarHBondContact CA-O 3.44Å; Y443-N467 HydrophobicContact CD1-CB 3.37Å; Y443-N467 HydrophobicContact CE1-CB 3.3Å; Y443-N467 WeakPolarHBondContact CE1-ND2 3.29Å; Y443-N467 HydrophobicContact CG-CB 4.37Å; Y443-N467 PolarHBondContact N-O 2.78Å; Y443-N467 PolarHBondContact OH-ND2 3.01Å; Y443-P830 HydrophobicContact CD1-CB 4.2Å; Y443-P830 HydrophobicContact CE1-CB 3.37Å; Y443-P830 HydrophobicContact CE2-CB 4.25Å; Y443-P830 VanDerWaalsContact CZ-CB 3.41Å; Y443-P830 WeakPolarHBondContact OH-CB 3.08Å
444	N	90.3	Very high	92.4	Very high	14 Å²	14	36.2 Å²	36.2	8%	0.075	18%	0.179	C	C	.	.	S	Bend	trans	-129	-179	173.5	-86.2	-91.7	0	0	0	109.6	L417 N420 H421 L422 L441 E442 I446 N467 N468	L417-N444 PolarHBondContact O-ND2 3.17Å; N420-N444 WeakPolarHBondContact CA-OD1 3.34Å; N420-N444 WeakPolarHBondContact CB-OD1 3.3Å; N420-N444 PolarHBondContact O-OD1 2.86Å; H421-N444 PolarHBondContact N-OD1 3.31Å; L422-N444 HydrophobicContact CB-CB 4.39Å; L422-N444 VanDerWaalsContact CB-OD1 3.29Å; L422-N444 WeakPolarHBondContact CB-OD1 3.19Å; L422-N444 VanDerWaalsContact CG-OD1 3.28Å; L422-N444 WeakPolarHBondContact CG-OD1 3.38Å; L422-N444 PolarHBondContact N-OD1 2.97Å; L441-N444 PolarHBondContact O-ND2 2.91Å; L441-N444 VanDerWaalsContact O-ND2 3.14Å; E442-N444 PolarHBondContact O-N 2.82Å; E442-N444 PolarHBondContact O-ND2 3.37Å; E442-N444 VanDerWaalsContact O-ND2 3.16Å; N444-I446 HydrophobicContact CB-CD1 4.1Å; N444-I446 HydrophobicContact CB-CG1 3.93Å; N444-N467 PolarHBondContact N-O 2.91Å; N444-N468 WeakPolarHBondContact CA-OD1 3.45Å; N444-N468 WeakPolarHBondContact CB-OD1 3.44Å; N444-N468 PolarHBondContact O-OD1 3.33Å
445	A	93.8	Very high	92.3	Very high	28 Å²	28	34.4 Å²	34.4	23%	0.231	17%	0.173	C	C	.	.			trans	-105.6	26.6	-178.4	0	0	0	0	0	112.6	L422 T423 K447 L469	L422-A445 CarbonylContact O-C 3.48Å; L422-A445 VanDerWaalsContact O-CA 3.31Å; L422-A445 WeakPolarHBondContact O-CA 3.4Å; L422-A445 PolarHBondContact O-N 3.17Å; T423-A445 WeakPolarHBondContact CA-O 3.4Å; T423-A445 HydrophobicContact CG2-CB 4.03Å; A445-K447 PolarHBondContact O-N 2.94Å; A445-L469 HydrophobicContact CB-CD1 4.28Å
446	I	97.2	Very high	92.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.			trans	-70.5	118.9	-167.2	-53.7	165.9	0	0	0	109.8	L422 T423 L425 L441 N444 V449 L465 N468 L469 L470	L422-I446 HydrophobicContact CB-CG1 4.12Å; L422-I446 WeakPolarHBondContact O-CG1 3.12Å; L422-I446 PolarHBondContact O-N 2.03Å; T423-I446 WeakPolarHBondContact O-CA 2.98Å; L425-I446 HydrophobicContact CD1-CD1 4.23Å; L425-I446 HydrophobicContact CD2-CD1 4Å; L425-I446 HydrophobicContact CG-CD1 4.18Å; L425-I446 HydrophobicContact CG-CG2 4.02Å; L441-I446 HydrophobicContact CB-CD1 4.17Å; L441-I446 HydrophobicContact CD2-CD1 4.41Å; N444-I446 HydrophobicContact CB-CD1 4.1Å; N444-I446 HydrophobicContact CB-CG1 3.93Å; I446-V449 HydrophobicContact CG2-CG2 4.31Å; I446-L465 HydrophobicContact CD1-CD2 4.11Å; I446-N468 HydrophobicContact CB-CB 4.43Å; I446-N468 WeakPolarHBondContact CB-OD1 3.35Å; I446-N468 WeakPolarHBondContact CD1-OD1 3.42Å; I446-N468 WeakPolarHBondContact CG1-OD1 3.35Å; I446-N468 PolarHBondContact N-OD1 3.24Å; I446-L469 CarbonylContact O-C 3.13Å; I446-L469 VanDerWaalsContact O-CA 3.29Å; I446-L469 WeakPolarHBondContact O-CA 3.49Å; I446-L469 PolarHBondContact O-N 3.13Å; I446-L470 HydrophobicContact CB-CD2 4.33Å; I446-L470 HydrophobicContact CG2-CD2 3.76Å; I446-L470 WeakPolarHBondContact O-CD2 3.48Å; I446-L470 PolarHBondContact O-N 2.91Å
447	K	94.8	Very high	92	Very high	122 Å²	122	32 Å²	32	53%	0.53	17%	0.165	S	C	.	.			trans	-102.4	-26	-179.2	-67.1	160.6	-164.3	173.6	0	113.1	T423 A445 L469	T423-K447 PolarHBondContact O-N 3.31Å; A445-K447 PolarHBondContact O-N 2.94Å; K447-L469 HydrophobicContact CD-CD1 4.43Å; K447-L469 VanDerWaalsContact CE-CD1 3.45Å; K447-L469 HydrophobicContact CG-CB 3.68Å; K447-L469 HydrophobicContact CG-CD1 4.04Å
448	E	93.5	Very high	92.3	Very high	86 Å²	86	33.1 Å²	33.1	40%	0.402	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	130.3	-171	-169	-170.1	156.7	0	0	110.3	K424 L425 L450	K424-E448 WeakPolarHBondContact CA-O 3.27Å; K424-E448 HydrophobicContact CD-CB 4.45Å; K424-E448 VanDerWaalsContact CE-CD 3.43Å; K424-E448 WeakPolarHBondContact CE-OE1 3.31Å; K424-E448 VanDerWaalsContact CE-OE2 3.32Å; K424-E448 WeakPolarHBondContact CE-OE2 3.3Å; K424-E448 HydrophobicContact CG-CB 4.33Å; K424-E448 IonicContact NZ-OE1 2.73Å; K424-E448 PolarHBondContact NZ-OE1 2.94Å; K424-E448 IonicContact NZ-OE2 2.68Å; K424-E448 PolarHBondContact NZ-OE2 3.29Å; L425-E448 PolarHBondContact N-O 2.87Å; E448-L450 WeakPolarHBondContact OE1-CD2 3.22Å
449	V	96	Very high	92.4	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.03	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.8	167.6	-179.2	0	0	0	0	107	L425 I446 T453 F454 L470 P474 I477	L425-V449 HydrophobicContact CB-CG1 4.37Å; L425-V449 HydrophobicContact CB-CG2 4.45Å; L425-V449 HydrophobicContact CD1-CG2 3.99Å; L425-V449 HydrophobicContact CG-CG2 4.34Å; I446-V449 HydrophobicContact CG2-CG2 4.31Å; V449-T453 HydrophobicContact CG1-CG2 4Å; V449-F454 HydrophobicContact CG1-CE2 4.02Å; V449-F454 HydrophobicContact CG1-CZ 4.02Å; V449-L470 HydrophobicContact CG2-CD2 3.79Å; V449-P474 WeakPolarHBondContact O-CD 3.4Å; V449-P474 WeakPolarHBondContact O-CG 3.46Å; V449-I477 HydrophobicContact CG1-CD1 3.66Å; V449-I477 HydrophobicContact CG1-CG1 4.24Å
450	L	94.3	Very high	92.4	Very high	54 Å²	54	35.3 Å²	35.3	28%	0.283	19%	0.187	S	C	.	.			trans	-76.6	153.4	178.6	-73.6	179.1	0	0	0	112.1	L425 E448 G452 T453 I477	L425-L450 PolarHBondContact O-N 3Å; L425-L450 VanDerWaalsContact O-N 3.07Å; E448-L450 WeakPolarHBondContact OE1-CD2 3.22Å; L450-G452 PolarHBondContact O-N 3.22Å; L450-T453 PolarHBondContact N-OG1 2.92Å; L450-T453 WeakPolarHBondContact O-CB 3.26Å; L450-T453 PolarHBondContact O-N 3.15Å; L450-T453 PolarHBondContact O-OG1 2.86Å; L450-I477 WeakPolarHBondContact O-CD1 3.41Å
451	P	92.1	Very high	92.4	Very high	77 Å²	77	38 Å²	38	50%	0.5	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	140.2	171.7	-22	30.3	0	0	0	111.3	T453 P474	P451-T453 VanDerWaalsContact C-N 3.3Å; P451-T453 PolarHBondContact O-N 2.86Å; P451-P474 HydrophobicContact CB-CB 4.32Å; P451-P474 HydrophobicContact CG-CB 3.81Å; P451-P474 HydrophobicContact CG-CG 4.32Å
452	G	90.3	Very high	92.1	Very high	8 Å²	8	38.2 Å²	38.2	8%	0.082	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	6	177.7	0	0	0	0	0	116.2	L450 F454 N455	L450-G452 PolarHBondContact O-N 3.22Å; G452-F454 VanDerWaalsContact C-N 3.3Å; G452-F454 PolarHBondContact O-N 2.84Å; G452-N455 VanDerWaalsContact CA-OD1 3.24Å; G452-N455 WeakPolarHBondContact CA-OD1 3.42Å; G452-N455 WeakPolarHBondContact O-CB 3.36Å; G452-N455 PolarHBondContact O-N 2.95Å; G452-N455 PolarHBondContact O-OD1 3.02Å
453	T	95.1	Very high	92.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-39.1	-175.3	-68.4	0	0	0	0	113.8	L425 F430 V449 L450 P451	L425-T453 HydrophobicContact CB-CG2 3.74Å; L425-T453 HydrophobicContact CD1-CG2 4.31Å; F430-T453 HydrophobicContact CD2-CG2 3.74Å; F430-T453 HydrophobicContact CE2-CG2 3.73Å; V449-T453 HydrophobicContact CG1-CG2 4Å; L450-T453 PolarHBondContact N-OG1 2.92Å; L450-T453 WeakPolarHBondContact O-CB 3.26Å; L450-T453 PolarHBondContact O-N 3.15Å; L450-T453 PolarHBondContact O-OG1 2.86Å; P451-T453 VanDerWaalsContact C-N 3.3Å; P451-T453 PolarHBondContact O-N 2.86Å
454	F	95.1	Very high	93.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-6.3	-175.2	-52.7	-57.8	0	0	0	114	L425 L439 V449 G452 A456 M457 L460 L463 L465 I477 F478 V481	L425-F454 HydrophobicContact CD1-CE1 4.29Å; L425-F454 HydrophobicContact CD1-CZ 4.23Å; L439-F454 HydrophobicContact CD2-CD1 4.44Å; L439-F454 HydrophobicContact CD2-CE1 4.32Å; V449-F454 HydrophobicContact CG1-CE2 4.02Å; V449-F454 HydrophobicContact CG1-CZ 4.02Å; G452-F454 VanDerWaalsContact C-N 3.3Å; G452-F454 PolarHBondContact O-N 2.84Å; F454-A456 PolarHBondContact O-N 2.83Å; F454-M457 HydrophobicContact CB-CE 4.28Å; F454-M457 HydrophobicContact CD1-CE 3.73Å; F454-M457 PolarHBondContact O-N 3.46Å; F454-L460 HydrophobicContact CB-CD2 4.49Å; F454-L460 HydrophobicContact CD1-CD2 4.47Å; F454-L463 HydrophobicContact CD1-CD2 4.32Å; F454-L463 HydrophobicContact CD2-CD2 4.07Å; F454-L463 HydrophobicContact CE1-CD1 4.08Å; F454-L463 HydrophobicContact CE1-CD2 4.01Å; F454-L463 HydrophobicContact CE2-CD2 3.75Å; F454-L463 HydrophobicContact CG-CD2 4.37Å; F454-L463 HydrophobicContact CZ-CD1 4.32Å; F454-L463 HydrophobicContact CZ-CD2 3.73Å; F454-L465 HydrophobicContact CZ-CD1 4.1Å; F454-I477 HydrophobicContact CD2-CD1 3.72Å; F454-I477 HydrophobicContact CD2-CG1 3.78Å; F454-I477 WeakPolarHBondContact CD2-O 3.48Å; F454-I477 HydrophobicContact CE2-CD1 3.82Å; F454-I477 HydrophobicContact CE2-CG1 3.74Å; F454-F478 HydrophobicContact CD2-CD1 4.06Å; F454-F478 AromaticContact CD2-CE1 3.96Å; F454-F478 HydrophobicContact CD2-CE1 3.96Å; F454-F478 HydrophobicContact CE2-CD1 4.5Å; F454-F478 AromaticContact CE2-CE1 3.94Å; F454-F478 HydrophobicContact CE2-CE1 3.94Å; F454-V481 HydrophobicContact CB-CG1 4.15Å; F454-V481 WeakPolarHBondContact O-CG1 3.47Å
455	N	91.8	Very high	93.3	Very high	74 Å²	74	35.6 Å²	35.6	40%	0.396	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.6	-173.6	-60	32.9	0	0	0	114	G452 M457	G452-N455 VanDerWaalsContact CA-OD1 3.24Å; G452-N455 WeakPolarHBondContact CA-OD1 3.42Å; G452-N455 WeakPolarHBondContact O-CB 3.36Å; G452-N455 PolarHBondContact O-N 2.95Å; G452-N455 PolarHBondContact O-OD1 3.02Å; N455-M457 PolarHBondContact O-N 3.06Å
456	A	90.4	Very high	93	Very high	21 Å²	21	34.9 Å²	34.9	17%	0.174	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-10.9	173.5	0	0	0	0	0	113.8	F430 L431 L433 F454 P458	F430-A456 VanDerWaalsContact O-CB 3.27Å; F430-A456 WeakPolarHBondContact O-CB 3.19Å; L431-A456 HydrophobicContact CD2-CB 4.46Å; L433-A456 CarbonylContact C-O 3.55Å; F454-A456 PolarHBondContact O-N 2.83Å; A456-P458 VanDerWaalsContact C-CD 3.43Å; A456-P458 VanDerWaalsContact O-CD 3.3Å; A456-P458 WeakPolarHBondContact O-CD 3.17Å
457	M	95.3	Very high	92.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.			trans	-123.6	62.1	-167.9	-61.2	177.3	-73.5	0	0	112.2	F430 L433 L436 L439 F454 N455 K459 L460 V481	F430-M457 HydrophobicContact CB-CE 3.65Å; F430-M457 HydrophobicContact CB-SD 3.95Å; F430-M457 HydrophobicContact CD1-CE 4.35Å; F430-M457 HydrophobicContact CD1-SD 4.43Å; F430-M457 HydrophobicContact CD2-CE 3.98Å; F430-M457 HydrophobicContact CG-CE 3.73Å; F430-M457 HydrophobicContact CG-SD 4.24Å; L433-M457 HydrophobicContact CB-CG 3.64Å; L433-M457 HydrophobicContact CB-SD 4Å; L433-M457 HydrophobicContact CD1-SD 4Å; L433-M457 WeakPolarHBondContact O-CG 3.37Å; L436-M457 HydrophobicContact CB-CB 4.41Å; L436-M457 HydrophobicContact CB-CG 4.17Å; L436-M457 HydrophobicContact CB-SD 4.13Å; L436-M457 HydrophobicContact CD2-SD 3.44Å; L436-M457 WeakPolarHBondContact CD2-SD 3.42Å; L436-M457 HydrophobicContact CG-SD 4.42Å; L439-M457 HydrophobicContact CD2-CE 3.83Å; L439-M457 HydrophobicContact CD2-SD 4.15Å; F454-M457 HydrophobicContact CB-CE 4.28Å; F454-M457 HydrophobicContact CD1-CE 3.73Å; F454-M457 PolarHBondContact O-N 3.46Å; N455-M457 PolarHBondContact O-N 3.06Å; M457-K459 PolarHBondContact O-N 3.25Å; M457-L460 HydrophobicContact CB-CB 4.19Å; M457-L460 HydrophobicContact CE-CD2 4.47Å; M457-L460 VanDerWaalsContact O-CB 3.31Å; M457-L460 WeakPolarHBondContact O-CB 3.48Å; M457-L460 PolarHBondContact O-N 3.14Å; M457-V481 WeakPolarHBondContact O-CG1 3.47Å
458	P	93.5	Very high	92.2	Very high	69 Å²	69	30.5 Å²	30.5	45%	0.448	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	11.7	-171.8	32.1	-39.4	0	0	0	115.3	A456 P482	A456-P458 VanDerWaalsContact C-CD 3.43Å; A456-P458 VanDerWaalsContact O-CD 3.3Å; A456-P458 WeakPolarHBondContact O-CD 3.17Å; P458-P482 WeakPolarHBondContact O-CD 3.39Å
459	K	93.5	Very high	92.3	Very high	86 Å²	86	29 Å²	29	37%	0.374	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	5.2	174.9	-63.8	-173.2	-179.4	176.7	0	112.9	H435 L436 E437 M457 K461	H435-K459 PolarHBondContact CD2-NZ 3.34Å; H435-K459 PolarHBondContact NE2-NZ 2.87Å; L436-K459 CarbonylContact O-C 3.45Å; E437-K459 HydrophobicContact CG-CB 4.44Å; M457-K459 PolarHBondContact O-N 3.25Å; K459-K461 PolarHBondContact O-N 3.41Å
460	L	95.6	Very high	92.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.			trans	-64.9	119.5	-176.5	-171.4	67.5	0	0	0	110.6	L436 L439 F454 M457 V462 L463 V481 P482 L483	L436-L460 HydrophobicContact CD2-CD1 4.23Å; L436-L460 WeakPolarHBondContact O-CA 3.29Å; L436-L460 PolarHBondContact O-N 2.98Å; L439-L460 HydrophobicContact CB-CD1 3.74Å; F454-L460 HydrophobicContact CB-CD2 4.49Å; F454-L460 HydrophobicContact CD1-CD2 4.47Å; M457-L460 HydrophobicContact CB-CB 4.19Å; M457-L460 HydrophobicContact CE-CD2 4.47Å; M457-L460 VanDerWaalsContact O-CB 3.31Å; M457-L460 WeakPolarHBondContact O-CB 3.48Å; M457-L460 PolarHBondContact O-N 3.14Å; L460-V462 WeakPolarHBondContact CD1-O 3.18Å; L460-L463 HydrophobicContact CD2-CB 4.27Å; L460-L463 HydrophobicContact CD2-CD2 4.44Å; L460-V481 HydrophobicContact CB-CB 4.34Å; L460-V481 HydrophobicContact CB-CG1 4.35Å; L460-P482 CarbonylContact O-C 3.42Å; L460-P482 VanDerWaalsContact O-C 3.27Å; L460-L483 HydrophobicContact CB-CD2 4.48Å; L460-L483 HydrophobicContact CD2-CD2 4.07Å; L460-L483 HydrophobicContact CG-CD2 3.84Å; L460-L483 PolarHBondContact O-N 2.91Å
461	K	88.3	Confident	92.3	Very high	75 Å²	75	31.8 Å²	31.8	33%	0.326	17%	0.168	S	C	.	.			trans	-106.8	-36	-179.3	-62.3	169.5	-165.8	166.2	0	111.9	E437 K459 A484 R485	E437-K461 HydrophobicContact CB-CD 4.35Å; E437-K461 VanDerWaalsContact CD-CE 3.5Å; E437-K461 PolarHBondContact O-N 2.92Å; E437-K461 WeakPolarHBondContact OE1-CE 3.42Å; E437-K461 IonicContact OE1-NZ 2.68Å; E437-K461 PolarHBondContact OE1-NZ 3.12Å; E437-K461 IonicContact OE2-NZ 2.69Å; E437-K461 PolarHBondContact OE2-NZ 3.09Å; K459-K461 PolarHBondContact O-N 3.41Å; K461-A484 PolarHBondContact O-N 3.14Å; K461-R485 PolarHBondContact O-N 3.16Å
462	V	87.5	Confident	92.3	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.024	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.4	-176	-177.5	0	0	0	0	109.3	I241 E437 Y438 L439 L460 Y464 R485	I241-V462 HydrophobicContact CD1-CG2 4.29Å; E437-V462 PolarHBondContact O-N 3.03Å; Y438-V462 HydrophobicContact CD1-CB 3.7Å; Y438-V462 HydrophobicContact CD1-CG1 4.35Å; Y438-V462 HydrophobicContact CD1-CG2 3.59Å; Y438-V462 HydrophobicContact CE1-CB 4.31Å; Y438-V462 HydrophobicContact CE1-CG2 3.66Å; Y438-V462 HydrophobicContact CG-CB 4.42Å; L439-V462 PolarHBondContact N-O 3.33Å; L460-V462 WeakPolarHBondContact CD1-O 3.18Å; V462-Y464 HydrophobicContact CG1-CD1 3.84Å; V462-Y464 HydrophobicContact CG1-CE1 3.57Å; V462-R485 WeakPolarHBondContact CA-O 3.48Å; V462-R485 HydrophobicContact CG1-CB 4.28Å; V462-R485 HydrophobicContact CG2-CB 4.21Å; V462-R485 HydrophobicContact CG2-CG 4.46Å
463	L	96.1	Very high	92.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	111.7	175.9	174.2	58.8	0	0	0	109.6	L439 L441 F454 L460 L465 F478 L483 R485 L486 N487	L439-L463 HydrophobicContact CB-CD1 4.14Å; L439-L463 HydrophobicContact CD2-CD1 3.99Å; L439-L463 HydrophobicContact CG-CD1 4.05Å; L441-L463 HydrophobicContact CD1-CD1 4.46Å; F454-L463 HydrophobicContact CD1-CD2 4.32Å; F454-L463 HydrophobicContact CD2-CD2 4.07Å; F454-L463 HydrophobicContact CE1-CD1 4.08Å; F454-L463 HydrophobicContact CE1-CD2 4.01Å; F454-L463 HydrophobicContact CE2-CD2 3.75Å; F454-L463 HydrophobicContact CG-CD2 4.37Å; F454-L463 HydrophobicContact CZ-CD1 4.32Å; F454-L463 HydrophobicContact CZ-CD2 3.73Å; L460-L463 HydrophobicContact CD2-CB 4.27Å; L460-L463 HydrophobicContact CD2-CD2 4.44Å; L463-L465 HydrophobicContact CD1-CD1 4.08Å; L463-L465 HydrophobicContact CD1-CG 3.99Å; L463-L465 HydrophobicContact CD2-CD1 3.9Å; L463-L465 HydrophobicContact CG-CD1 3.91Å; L463-L465 HydrophobicContact CG-CG 4.14Å; L463-F478 HydrophobicContact CD2-CE1 3.84Å; L463-L483 HydrophobicContact CB-CD2 3.73Å; L463-L483 HydrophobicContact CD2-CD1 4.3Å; L463-R485 PolarHBondContact N-O 3.16Å; L463-R485 VanDerWaalsContact N-O 3.1Å; L463-L486 HydrophobicContact CB-CD1 4.33Å; L463-L486 HydrophobicContact CD2-CD1 4.07Å; L463-L486 HydrophobicContact CG-CD1 4.19Å; L463-N487 PolarHBondContact O-N 2.95Å
464	Y	90.2	Very high	92.4	Very high	39 Å²	39	32.1 Å²	32.1	15%	0.153	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.8	175.3	-72.4	2.2	0	0	0	110.1	L439 Y440 L441 E442 V462 N487	L439-Y464 PolarHBondContact O-N 3.31Å; Y440-Y464 AromaticContact CD1-CD2 3.71Å; Y440-Y464 HydrophobicContact CD1-CD2 3.71Å; Y440-Y464 HydrophobicContact CD1-CE2 4.32Å; Y440-Y464 HydrophobicContact CD1-CG 4.26Å; Y440-Y464 AromaticContact CE1-CD2 3.81Å; Y440-Y464 HydrophobicContact CE1-CD2 3.81Å; Y440-Y464 AromaticContact CE1-CE2 3.96Å; Y440-Y464 HydrophobicContact CE1-CE2 3.96Å; Y440-Y464 HydrophobicContact CE1-CG 4.49Å; L441-Y464 CarbonylContact C-O 3.57Å; L441-Y464 WeakPolarHBondContact CA-O 3.48Å; L441-Y464 WeakPolarHBondContact CB-O 3.11Å; L441-Y464 PolarHBondContact N-O 3.35Å; E442-Y464 VanDerWaalsContact OE2-CB 3.32Å; E442-Y464 WeakPolarHBondContact OE2-CB 3.45Å; V462-Y464 HydrophobicContact CG1-CD1 3.84Å; V462-Y464 HydrophobicContact CG1-CE1 3.57Å; Y464-N487 HydrophobicContact CD1-CB 3.5Å; Y464-N487 VanDerWaalsContact CD1-CB 3.5Å; Y464-N487 HydrophobicContact CE1-CB 3.99Å; Y464-N487 HydrophobicContact CG-CB 4.04Å
465	L	95.2	Very high	92.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.			trans	-133.4	14.4	-179.2	-75.5	167	0	0	0	111.1	L425 L441 I446 F454 L463 N468 L470 N487 L488 N491	L425-L465 HydrophobicContact CD1-CD2 4.29Å; L441-L465 HydrophobicContact CB-CD2 3.81Å; L441-L465 HydrophobicContact CD1-CD2 3.93Å; I446-L465 HydrophobicContact CD1-CD2 4.11Å; F454-L465 HydrophobicContact CZ-CD1 4.1Å; L463-L465 HydrophobicContact CD1-CD1 4.08Å; L463-L465 HydrophobicContact CD1-CG 3.99Å; L463-L465 HydrophobicContact CD2-CD1 3.9Å; L463-L465 HydrophobicContact CG-CD1 3.91Å; L463-L465 HydrophobicContact CG-CG 4.14Å; L465-N468 WeakPolarHBondContact O-CB 3.18Å; L465-N468 PolarHBondContact O-ND2 2.94Å; L465-L470 HydrophobicContact CB-CD1 4.25Å; L465-L470 HydrophobicContact CD1-CD1 4.37Å; L465-N487 CarbonylContact C-O 3.05Å; L465-N487 WeakPolarHBondContact CA-O 3.24Å; L465-N487 PolarHBondContact N-O 2.98Å; L465-L488 HydrophobicContact CB-CD2 3.95Å; L465-L488 HydrophobicContact CD1-CD2 4.14Å; L465-N491 PolarHBondContact O-ND2 3.41Å
466	N	87.1	Confident	92.2	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.064	19%	0.193	C	C	.	.			trans	-65.5	158.8	177.4	52.7	-56.6	0	0	0	112.4	E442 Y443 N468 N487 K489	E442-N466 VanDerWaalsContact CA-O 3.23Å; E442-N466 WeakPolarHBondContact CA-O 3.2Å; E442-N466 WeakPolarHBondContact CB-O 3.21Å; E442-N466 WeakPolarHBondContact CB-OD1 3.49Å; Y443-N466 PolarHBondContact N-O 3.47Å; N466-N468 PolarHBondContact O-N 3.39Å; N466-N468 PolarHBondContact O-ND2 3.26Å; N466-N468 VanDerWaalsContact O-ND2 3.09Å; N466-N487 WeakPolarHBondContact CB-OD1 3.33Å; N466-N487 PolarHBondContact N-O 3.08Å; N466-K489 CarbonylContact C-O 3.57Å; N466-K489 WeakPolarHBondContact CA-O 3.46Å; N466-K489 HydrophobicContact CB-CB 3.94Å; N466-K489 WeakPolarHBondContact CB-O 3.47Å
467	N	83.4	Confident	92.3	Very high	25 Å²	25	35.6 Å²	35.6	13%	0.134	19%	0.185	C	C	.	.	S	Bend	trans	52.7	57.8	-178.3	-62.4	-82	0	0	0	111.5	Y443 N444 K489 T490	Y443-N467 WeakPolarHBondContact CA-O 3.44Å; Y443-N467 HydrophobicContact CD1-CB 3.37Å; Y443-N467 HydrophobicContact CE1-CB 3.3Å; Y443-N467 WeakPolarHBondContact CE1-ND2 3.29Å; Y443-N467 HydrophobicContact CG-CB 4.37Å; Y443-N467 PolarHBondContact N-O 2.78Å; Y443-N467 PolarHBondContact OH-ND2 3.01Å; N444-N467 PolarHBondContact N-O 2.91Å; N467-K489 PolarHBondContact N-O 2.87Å; N467-T490 VanDerWaalsContact CA-O 3.28Å; N467-T490 WeakPolarHBondContact CA-O 3.3Å; N467-T490 PolarHBondContact N-O 3.25Å; N467-T490 WeakPolarHBondContact OD1-CB 3.48Å; N467-T490 WeakPolarHBondContact OD1-CG2 3.49Å
468	N	92.3	Very high	92.2	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.032	19%	0.185	C	C	.	.	S	Bend	trans	-135.1	-170.8	176.7	-88.4	-84.2	0	0	0	108.8	L441 N444 I446 L465 N466 L470 T490 N491	L441-N468 PolarHBondContact O-ND2 3.19Å; N444-N468 WeakPolarHBondContact CA-OD1 3.45Å; N444-N468 WeakPolarHBondContact CB-OD1 3.44Å; N444-N468 PolarHBondContact O-OD1 3.33Å; I446-N468 HydrophobicContact CB-CB 4.43Å; I446-N468 WeakPolarHBondContact CB-OD1 3.35Å; I446-N468 WeakPolarHBondContact CD1-OD1 3.42Å; I446-N468 WeakPolarHBondContact CG1-OD1 3.35Å; I446-N468 PolarHBondContact N-OD1 3.24Å; L465-N468 WeakPolarHBondContact O-CB 3.18Å; L465-N468 PolarHBondContact O-ND2 2.94Å; N466-N468 PolarHBondContact O-N 3.39Å; N466-N468 PolarHBondContact O-ND2 3.26Å; N466-N468 VanDerWaalsContact O-ND2 3.09Å; N468-L470 HydrophobicContact CB-CG 4.43Å; N468-T490 PolarHBondContact N-O 3.02Å; N468-N491 VanDerWaalsContact CB-OD1 3.22Å; N468-N491 WeakPolarHBondContact CB-OD1 3.26Å; N468-N491 PolarHBondContact O-OD1 2.95Å
469	L	95.3	Very high	92	Very high	55 Å²	55	34.9 Å²	34.9	29%	0.288	18%	0.181	S	C	.	.			trans	-117.1	26.2	-172.3	-52.9	176	0	0	0	112	A445 I446 K447 N491	A445-L469 HydrophobicContact CB-CD1 4.28Å; I446-L469 CarbonylContact O-C 3.13Å; I446-L469 VanDerWaalsContact O-CA 3.29Å; I446-L469 WeakPolarHBondContact O-CA 3.49Å; I446-L469 PolarHBondContact O-N 3.13Å; K447-L469 HydrophobicContact CD-CD1 4.43Å; K447-L469 VanDerWaalsContact CE-CD1 3.45Å; K447-L469 HydrophobicContact CG-CB 3.68Å; K447-L469 HydrophobicContact CG-CD1 4.04Å; L469-N491 PolarHBondContact N-OD1 3.29Å
470	L	96.4	Very high	91.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.			trans	-71.8	126.8	-175.4	-59.2	175.4	0	0	0	111.3	I446 V449 L465 N468 L473 L488 N491 Q492 F493	I446-L470 HydrophobicContact CB-CD2 4.33Å; I446-L470 HydrophobicContact CG2-CD2 3.76Å; I446-L470 WeakPolarHBondContact O-CD2 3.48Å; I446-L470 PolarHBondContact O-N 2.91Å; V449-L470 HydrophobicContact CG2-CD2 3.79Å; L465-L470 HydrophobicContact CB-CD1 4.25Å; L465-L470 HydrophobicContact CD1-CD1 4.37Å; N468-L470 HydrophobicContact CB-CG 4.43Å; L470-L473 HydrophobicContact CD1-CD2 4.4Å; L470-L488 HydrophobicContact CD1-CD2 4.27Å; L470-N491 HydrophobicContact CB-CB 4.38Å; L470-N491 VanDerWaalsContact CB-OD1 3.26Å; L470-N491 WeakPolarHBondContact CB-OD1 3.29Å; L470-N491 WeakPolarHBondContact CG-OD1 3.24Å; L470-N491 PolarHBondContact N-OD1 3.07Å; L470-Q492 CarbonylContact O-C 3.42Å; L470-Q492 VanDerWaalsContact O-CA 3.22Å; L470-Q492 WeakPolarHBondContact O-CA 3.24Å; L470-Q492 WeakPolarHBondContact O-CB 3.47Å; L470-Q492 PolarHBondContact O-N 3.06Å; L470-F493 HydrophobicContact CB-CE1 4.08Å; L470-F493 HydrophobicContact CB-CE2 4Å; L470-F493 HydrophobicContact CB-CZ 3.51Å; L470-F493 HydrophobicContact CD1-CZ 4.08Å; L470-F493 HydrophobicContact CG-CZ 4.45Å; L470-F493 PolarHBondContact O-N 3.33Å
471	Q	93.6	Very high	91.4	Very high	116 Å²	116	34 Å²	34	54%	0.542	20%	0.195	S	C	.	.			trans	-102	-31	179.7	-69	176.2	2.7	0	0	113.1	Q492 F493	Q471-Q492 HydrophobicContact CG-CB 3.62Å; Q471-F493 WeakPolarHBondContact O-CD1 3.46Å
472	T	92.4	Very high	91.5	Very high	65 Å²	65	33 Å²	33	40%	0.399	20%	0.196	S	C	.	.			trans	-149.5	160.9	176.7	57.6	0	0	0	0	109.9	Y495	T472-Y495 HydrophobicContact CG2-CE1 4.46Å; T472-Y495 HydrophobicContact CG2-CE2 4.3Å
473	L	94.3	Very high	91.8	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.042	20%	0.195	C	C	.	.			trans	-110.3	144.3	166.2	-65.8	-175.8	0	0	0	109.6	L470 I477 F478 L488 F493 L496 V501	L470-L473 HydrophobicContact CD1-CD2 4.4Å; L473-I477 HydrophobicContact CB-CG2 4.28Å; L473-I477 HydrophobicContact CD1-CG2 4.39Å; L473-F478 HydrophobicContact CD1-CE2 3.82Å; L473-F478 HydrophobicContact CD1-CZ 3.71Å; L473-L488 HydrophobicContact CD1-CD1 4.11Å; L473-F493 HydrophobicContact CD2-CE1 4.29Å; L473-F493 HydrophobicContact CD2-CZ 4.06Å; L473-F493 HydrophobicContact CG-CE1 3.91Å; L473-F493 HydrophobicContact CG-CZ 3.97Å; L473-L496 HydrophobicContact CB-CD1 4.38Å; L473-L496 HydrophobicContact CD1-CD1 4.08Å; L473-L496 HydrophobicContact CG-CD1 4.17Å; L473-V501 HydrophobicContact CB-CG1 4.4Å; L473-V501 HydrophobicContact CD1-CG1 4.19Å
474	P	93.3	Very high	91.3	Very high	20 Å²	20	34.1 Å²	34.1	13%	0.13	21%	0.206	C	C	.	.			trans	-72.4	156.2	174	29.9	-32.5	0	0	0	111.4	V449 P451 I477	V449-P474 WeakPolarHBondContact O-CD 3.4Å; V449-P474 WeakPolarHBondContact O-CG 3.46Å; P451-P474 HydrophobicContact CB-CB 4.32Å; P451-P474 HydrophobicContact CG-CB 3.81Å; P451-P474 HydrophobicContact CG-CG 4.32Å; P474-I477 HydrophobicContact CG-CB 4.08Å; P474-I477 HydrophobicContact CG-CD1 4.1Å; P474-I477 HydrophobicContact CG-CG1 4.19Å; P474-I477 WeakPolarHBondContact O-CB 3.3Å; P474-I477 WeakPolarHBondContact O-CG2 3.34Å
475	P	91.2	Very high	90.9	Very high	78 Å²	78	32.4 Å²	32.4	51%	0.506	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	151.3	172.4	29.5	-35.5	0	0	0	111.5	I477 N500	P475-I477 PolarHBondContact O-N 3.18Å; P475-N500 CarbonylContact C-O 3.29Å; P475-N500 WeakPolarHBondContact CA-O 3.43Å; P475-N500 HydrophobicContact CB-CB 3.94Å
476	H	90.9	Very high	90.8	Very high	90 Å²	90	32.4 Å²	32.4	42%	0.417	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	30	-177.6	-54.5	-62.2	0	0	0	114.3	S479 N500 E504	H476-S479 WeakPolarHBondContact O-CB 3.37Å; H476-N500 PolarHBondContact CE1-OD1 3.32Å; H476-N500 PolarHBondContact N-O 3.39Å; H476-E504 WeakPolarHBondContact CA-OE2 3.21Å; H476-E504 IonicContact CE1-OE1 2.71Å; H476-E504 IonicContact CG-OE1 2.66Å; H476-E504 IonicContact ND1-OE1 3.55Å; H476-E504 PolarHBondContact ND1-OE1 3.03Å
477	I	94	Very high	90.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-74.2	-27.7	-179.4	-171.2	52.3	0	0	0	113.4	V449 L450 F454 L473 P474 P475 V501	V449-I477 HydrophobicContact CG1-CD1 3.66Å; V449-I477 HydrophobicContact CG1-CG1 4.24Å; L450-I477 WeakPolarHBondContact O-CD1 3.41Å; F454-I477 HydrophobicContact CD2-CD1 3.72Å; F454-I477 HydrophobicContact CD2-CG1 3.78Å; F454-I477 WeakPolarHBondContact CD2-O 3.48Å; F454-I477 HydrophobicContact CE2-CD1 3.82Å; F454-I477 HydrophobicContact CE2-CG1 3.74Å; L473-I477 HydrophobicContact CB-CG2 4.28Å; L473-I477 HydrophobicContact CD1-CG2 4.39Å; P474-I477 HydrophobicContact CG-CB 4.08Å; P474-I477 HydrophobicContact CG-CD1 4.1Å; P474-I477 HydrophobicContact CG-CG1 4.19Å; P474-I477 WeakPolarHBondContact O-CB 3.3Å; P474-I477 WeakPolarHBondContact O-CG2 3.34Å; P475-I477 PolarHBondContact O-N 3.18Å; I477-V501 HydrophobicContact CG2-CG1 4.08Å
478	F	92.8	Very high	91.3	Very high	2 Å²	2	31 Å²	31	1%	0.009	19%	0.191	C	C	.	.	S	Bend	trans	-105.3	8.8	178	-55.8	-49.1	0	0	0	112.5	F454 L463 L473 G480 V481 L483 L486 V501 E504 L505	F454-F478 HydrophobicContact CD2-CD1 4.06Å; F454-F478 AromaticContact CD2-CE1 3.96Å; F454-F478 HydrophobicContact CD2-CE1 3.96Å; F454-F478 HydrophobicContact CE2-CD1 4.5Å; F454-F478 AromaticContact CE2-CE1 3.94Å; F454-F478 HydrophobicContact CE2-CE1 3.94Å; L463-F478 HydrophobicContact CD2-CE1 3.84Å; L473-F478 HydrophobicContact CD1-CE2 3.82Å; L473-F478 HydrophobicContact CD1-CZ 3.71Å; F478-G480 PolarHBondContact O-N 2.96Å; F478-V481 HydrophobicContact CB-CG2 4Å; F478-V481 HydrophobicContact CD1-CG2 4.31Å; F478-V481 VanDerWaalsContact O-CG2 3.25Å; F478-V481 WeakPolarHBondContact O-CG2 3.44Å; F478-V481 PolarHBondContact O-N 3.48Å; F478-V481 VanDerWaalsContact O-N 3.08Å; F478-L483 HydrophobicContact CB-CD1 4.41Å; F478-L483 HydrophobicContact CD1-CD1 3.46Å; F478-L483 VanDerWaalsContact CD1-CD1 3.46Å; F478-L483 HydrophobicContact CE1-CD1 3.85Å; F478-L483 HydrophobicContact CG-CD1 3.97Å; F478-L486 HydrophobicContact CD2-CD2 4.44Å; F478-L486 HydrophobicContact CE1-CD1 4.27Å; F478-L486 HydrophobicContact CE1-CD2 4.47Å; F478-L486 HydrophobicContact CE2-CD2 3.6Å; F478-L486 HydrophobicContact CZ-CD1 3.9Å; F478-L486 HydrophobicContact CZ-CD2 3.62Å; F478-L486 HydrophobicContact CZ-CG 4.45Å; F478-V501 HydrophobicContact CD2-CG1 4.15Å; F478-V501 HydrophobicContact CE2-CG1 3.99Å; F478-E504 PolarHBondContact N-OE2 3.07Å; F478-L505 HydrophobicContact CB-CD2 3.74Å; F478-L505 HydrophobicContact CD2-CD1 4.13Å; F478-L505 HydrophobicContact CD2-CD2 3.79Å; F478-L505 HydrophobicContact CD2-CG 4.15Å; F478-L505 HydrophobicContact CE2-CD1 4.4Å; F478-L505 HydrophobicContact CG-CD2 3.86Å
479	S	89.4	Confident	90.9	Very high	51 Å²	51	31.4 Å²	31.4	36%	0.357	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	106.5	-176.2	-138.4	0	0	0	0	111.3	H476 E504	H476-S479 WeakPolarHBondContact O-CB 3.37Å; S479-E504 WeakPolarHBondContact CA-OE2 3.45Å; S479-E504 WeakPolarHBondContact CB-OE1 3.44Å; S479-E504 PolarHBondContact N-OE2 3.2Å; S479-E504 PolarHBondContact OG-OE1 3.1Å
480	G	84.8	Confident	90.5	Very high	62 Å²	62	30.5 Å²	30.5	64%	0.639	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	91	11.2	-179.1	0	0	0	0	0	115.9	F478	F478-G480 PolarHBondContact O-N 2.96Å
481	V	92.1	Very high	90.4	Very high	7 Å²	7	31.1 Å²	31.1	4%	0.042	19%	0.193	C	C	.	.			trans	-109.5	124.5	169.2	-65.6	0	0	0	0	111.7	F454 M457 L460 F478 L483	F454-V481 HydrophobicContact CB-CG1 4.15Å; F454-V481 WeakPolarHBondContact O-CG1 3.47Å; M457-V481 WeakPolarHBondContact O-CG1 3.47Å; L460-V481 HydrophobicContact CB-CB 4.34Å; L460-V481 HydrophobicContact CB-CG1 4.35Å; F478-V481 HydrophobicContact CB-CG2 4Å; F478-V481 HydrophobicContact CD1-CG2 4.31Å; F478-V481 VanDerWaalsContact O-CG2 3.25Å; F478-V481 WeakPolarHBondContact O-CG2 3.44Å; F478-V481 PolarHBondContact O-N 3.48Å; F478-V481 VanDerWaalsContact O-N 3.08Å; V481-L483 HydrophobicContact CB-CG 4.44Å; V481-L483 HydrophobicContact CG2-CD1 3.92Å; V481-L483 HydrophobicContact CG2-CG 3.92Å; V481-L483 PolarHBondContact O-N 3.42Å
482	P	89.9	Confident	90.5	Very high	53 Å²	53	29.2 Å²	29.2	34%	0.344	18%	0.184	S	C	.	.			trans	-82.8	59.6	-175.3	35.9	-37.3	0	0	0	111.9	P458 L460 A484	P458-P482 WeakPolarHBondContact O-CD 3.39Å; L460-P482 CarbonylContact O-C 3.42Å; L460-P482 VanDerWaalsContact O-C 3.27Å; P482-A484 PolarHBondContact O-N 3.35Å
483	L	92.6	Very high	90.6	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	17%	0.165	C	C	.	.			trans	-64.2	123.8	-176.9	-75	173.2	0	0	0	111.7	L460 L463 F478 V481 L505 M507	L460-L483 HydrophobicContact CB-CD2 4.48Å; L460-L483 HydrophobicContact CD2-CD2 4.07Å; L460-L483 HydrophobicContact CG-CD2 3.84Å; L460-L483 PolarHBondContact O-N 2.91Å; L463-L483 HydrophobicContact CB-CD2 3.73Å; L463-L483 HydrophobicContact CD2-CD1 4.3Å; F478-L483 HydrophobicContact CB-CD1 4.41Å; F478-L483 HydrophobicContact CD1-CD1 3.46Å; F478-L483 VanDerWaalsContact CD1-CD1 3.46Å; F478-L483 HydrophobicContact CE1-CD1 3.85Å; F478-L483 HydrophobicContact CG-CD1 3.97Å; V481-L483 HydrophobicContact CB-CG 4.44Å; V481-L483 HydrophobicContact CG2-CD1 3.92Å; V481-L483 HydrophobicContact CG2-CG 3.92Å; V481-L483 PolarHBondContact O-N 3.42Å; L483-L505 HydrophobicContact CB-CD2 4Å; L483-L505 HydrophobicContact CD1-CD2 4.04Å; L483-M507 CarbonylContact O-C 3.47Å
484	A	85.4	Confident	90.5	Very high	26 Å²	26	27.5 Å²	27.5	22%	0.215	18%	0.178	C	C	.	.	S	Bend	trans	-101.7	-29	173.2	0	0	0	0	0	112	K461 P482 M507 V509 Q510	K461-A484 PolarHBondContact O-N 3.14Å; P482-A484 PolarHBondContact O-N 3.35Å; A484-M507 WeakPolarHBondContact CA-O 3.22Å; A484-V509 HydrophobicContact CB-CG2 4.37Å; A484-V509 PolarHBondContact O-N 2.81Å; A484-Q510 PolarHBondContact O-N 3.44Å; A484-Q510 VanDerWaalsContact O-N 3.08Å
485	R	83	Confident	90.3	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.015	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	132.3	170.6	-60.7	-154.4	170.4	159.8	-6	111.6	L211 D212 I241 K461 V462 L463 Q510	L211-R485 PolarHBondContact O-NH2 2.92Å; D212-R485 IonicContact OD2-CZ 2.72Å; D212-R485 IonicContact OD2-NH1 2.77Å; D212-R485 PolarHBondContact OD2-NH1 3.4Å; D212-R485 IonicContact OD2-NH2 2.67Å; I241-R485 HydrophobicContact CD1-CG 4.08Å; K461-R485 PolarHBondContact O-N 3.16Å; V462-R485 WeakPolarHBondContact CA-O 3.48Å; V462-R485 HydrophobicContact CG1-CB 4.28Å; V462-R485 HydrophobicContact CG2-CB 4.21Å; V462-R485 HydrophobicContact CG2-CG 4.46Å; L463-R485 PolarHBondContact N-O 3.16Å; L463-R485 VanDerWaalsContact N-O 3.1Å; R485-Q510 WeakPolarHBondContact CA-O 3.03Å; R485-Q510 HydrophobicContact CG-CB 4.03Å
486	L	93.1	Very high	90.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	118.9	174.5	172.5	60.9	0	0	0	109.4	L463 F478 L488 L505 L508 Q510 I511 E512	L463-L486 HydrophobicContact CB-CD1 4.33Å; L463-L486 HydrophobicContact CD2-CD1 4.07Å; L463-L486 HydrophobicContact CG-CD1 4.19Å; F478-L486 HydrophobicContact CD2-CD2 4.44Å; F478-L486 HydrophobicContact CE1-CD1 4.27Å; F478-L486 HydrophobicContact CE1-CD2 4.47Å; F478-L486 HydrophobicContact CE2-CD2 3.6Å; F478-L486 HydrophobicContact CZ-CD1 3.9Å; F478-L486 HydrophobicContact CZ-CD2 3.62Å; F478-L486 HydrophobicContact CZ-CG 4.45Å; L486-L488 HydrophobicContact CD1-CD1 4.42Å; L486-L488 HydrophobicContact CD1-CD2 4.33Å; L486-L488 HydrophobicContact CD1-CG 4.09Å; L486-L488 HydrophobicContact CD2-CD1 4.04Å; L486-L488 HydrophobicContact CG-CD1 4.17Å; L486-L488 HydrophobicContact CG-CG 4.11Å; L486-L505 HydrophobicContact CD2-CD1 3.84Å; L486-L508 HydrophobicContact CB-CD1 4.25Å; L486-Q510 PolarHBondContact N-O 2.93Å; L486-I511 HydrophobicContact CB-CG1 4.25Å; L486-I511 HydrophobicContact CD2-CD1 4.08Å; L486-I511 HydrophobicContact CD2-CG1 4.44Å; L486-I511 HydrophobicContact CG-CG1 4.38Å; L486-I511 WeakPolarHBondContact O-CA 3.44Å; L486-I511 WeakPolarHBondContact O-CG1 3.28Å; L486-E512 PolarHBondContact O-N 2.86Å; L486-E512 VanDerWaalsContact O-N 3.07Å
487	N	85.6	Confident	90.2	Very high	7 Å²	7	26.4 Å²	26.4	4%	0.037	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	118.7	176.6	-162.5	-18.6	0	0	0	111.2	L463 Y464 L465 N466 K489 E512	L463-N487 PolarHBondContact O-N 2.95Å; Y464-N487 HydrophobicContact CD1-CB 3.5Å; Y464-N487 VanDerWaalsContact CD1-CB 3.5Å; Y464-N487 HydrophobicContact CE1-CB 3.99Å; Y464-N487 HydrophobicContact CG-CB 4.04Å; L465-N487 CarbonylContact C-O 3.05Å; L465-N487 WeakPolarHBondContact CA-O 3.24Å; L465-N487 PolarHBondContact N-O 2.98Å; N466-N487 WeakPolarHBondContact CB-OD1 3.33Å; N466-N487 PolarHBondContact N-O 3.08Å; N487-K489 VanDerWaalsContact OD1-CB 3.29Å; N487-K489 WeakPolarHBondContact OD1-CB 3.32Å; N487-K489 PolarHBondContact OD1-N 3.23Å; N487-E512 HydrophobicContact CB-CB 4.35Å; N487-E512 VanDerWaalsContact ND2-CD 3.33Å; N487-E512 PolarHBondContact ND2-OE2 3.31Å; N487-E512 VanDerWaalsContact OD1-CB 3.23Å; N487-E512 WeakPolarHBondContact OD1-CB 3.29Å
488	L	94.1	Very high	89.9	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.171	C	C	.	.			trans	-124.4	9.5	178.5	-67.8	172.7	0	0	0	112	L465 L470 L473 L486 N491 F493 L496 E512 L513 N516	L465-L488 HydrophobicContact CB-CD2 3.95Å; L465-L488 HydrophobicContact CD1-CD2 4.14Å; L470-L488 HydrophobicContact CD1-CD2 4.27Å; L473-L488 HydrophobicContact CD1-CD1 4.11Å; L486-L488 HydrophobicContact CD1-CD1 4.42Å; L486-L488 HydrophobicContact CD1-CD2 4.33Å; L486-L488 HydrophobicContact CD1-CG 4.09Å; L486-L488 HydrophobicContact CD2-CD1 4.04Å; L486-L488 HydrophobicContact CG-CD1 4.17Å; L486-L488 HydrophobicContact CG-CG 4.11Å; L488-N491 PolarHBondContact O-ND2 2.88Å; L488-F493 HydrophobicContact CB-CE2 3.95Å; L488-F493 HydrophobicContact CD1-CE2 4.25Å; L488-F493 HydrophobicContact CD1-CZ 4.47Å; L488-F493 HydrophobicContact CD2-CE2 3.95Å; L488-F493 HydrophobicContact CD2-CZ 4.12Å; L488-F493 HydrophobicContact CG-CE2 4.26Å; L488-L496 HydrophobicContact CD1-CD2 4.28Å; L488-E512 WeakPolarHBondContact CA-O 3.25Å; L488-E512 WeakPolarHBondContact CB-O 3.31Å; L488-E512 PolarHBondContact N-O 2.65Å; L488-L513 HydrophobicContact CB-CD2 4.12Å; L488-L513 HydrophobicContact CD1-CD2 3.89Å; L488-N516 PolarHBondContact O-ND2 3.14Å
489	K	85.7	Confident	89.6	Confident	14 Å²	14	31.1 Å²	31.1	6%	0.061	20%	0.197	C	C	.	.			trans	-51.4	147.4	-179.9	-157.2	-164.8	106.3	90.8	0	112.4	N466 N467 N487 N491 E512 E514 D515 D831 E834	N466-K489 CarbonylContact C-O 3.57Å; N466-K489 WeakPolarHBondContact CA-O 3.46Å; N466-K489 HydrophobicContact CB-CB 3.94Å; N466-K489 WeakPolarHBondContact CB-O 3.47Å; N467-K489 PolarHBondContact N-O 2.87Å; N487-K489 VanDerWaalsContact OD1-CB 3.29Å; N487-K489 WeakPolarHBondContact OD1-CB 3.32Å; N487-K489 PolarHBondContact OD1-N 3.23Å; K489-N491 PolarHBondContact O-N 3.07Å; K489-N491 PolarHBondContact O-ND2 3.47Å; K489-E512 HydrophobicContact CB-CB 4.39Å; K489-E512 PolarHBondContact N-O 3.28Å; K489-E514 WeakPolarHBondContact CA-O 3.32Å; K489-E514 HydrophobicContact CG-CB 4.17Å; K489-D515 HydrophobicContact CG-CB 4.31Å; K489-D515 IonicContact NZ-OD2 3.91Å; K489-D515 PolarHBondContact NZ-OD2 2.67Å; K489-D831 WeakPolarHBondContact CE-O 3.34Å; K489-D831 PolarHBondContact NZ-O 3.46Å; K489-E834 WeakPolarHBondContact CD-OE2 3.44Å; K489-E834 WeakPolarHBondContact CE-OE2 3.43Å; K489-E834 WeakPolarHBondContact CG-OE2 3.27Å; K489-E834 IonicContact NZ-OE2 3.05Å; K489-E834 PolarHBondContact NZ-OE2 3.45Å
490	T	85.8	Confident	89.4	Confident	37 Å²	37	32.2 Å²	32.2	23%	0.227	20%	0.199	C	C	.	.	S	Bend	trans	52.9	56.2	174.7	-38.4	0	0	0	0	112.3	N467 N468 E514 D515 N516	N467-T490 VanDerWaalsContact CA-O 3.28Å; N467-T490 WeakPolarHBondContact CA-O 3.3Å; N467-T490 PolarHBondContact N-O 3.25Å; N467-T490 WeakPolarHBondContact OD1-CB 3.48Å; N467-T490 WeakPolarHBondContact OD1-CG2 3.49Å; N468-T490 PolarHBondContact N-O 3.02Å; T490-E514 PolarHBondContact N-O 3.16Å; T490-D515 HydrophobicContact CG2-CB 4.35Å; T490-D515 WeakPolarHBondContact OG1-CB 3.47Å; T490-N516 PolarHBondContact N-ND2 2.63Å
491	N	94.4	Very high	89.6	Confident	12 Å²	12	29.3 Å²	29.3	6%	0.064	17%	0.169	C	C	.	.	S	Bend	trans	-117.6	-158.3	171.8	-91.2	-83.9	0	0	0	109.6	L465 N468 L469 L470 L488 K489 F493 N516 P517	L465-N491 PolarHBondContact O-ND2 3.41Å; N468-N491 VanDerWaalsContact CB-OD1 3.22Å; N468-N491 WeakPolarHBondContact CB-OD1 3.26Å; N468-N491 PolarHBondContact O-OD1 2.95Å; L469-N491 PolarHBondContact N-OD1 3.29Å; L470-N491 HydrophobicContact CB-CB 4.38Å; L470-N491 VanDerWaalsContact CB-OD1 3.26Å; L470-N491 WeakPolarHBondContact CB-OD1 3.29Å; L470-N491 WeakPolarHBondContact CG-OD1 3.24Å; L470-N491 PolarHBondContact N-OD1 3.07Å; L488-N491 PolarHBondContact O-ND2 2.88Å; K489-N491 PolarHBondContact O-N 3.07Å; K489-N491 PolarHBondContact O-ND2 3.47Å; N491-F493 HydrophobicContact CB-CD2 3.68Å; N491-F493 HydrophobicContact CB-CE2 3.66Å; N491-N516 VanDerWaalsContact CA-OD1 3.26Å; N491-N516 WeakPolarHBondContact CA-OD1 3.27Å; N491-N516 WeakPolarHBondContact CB-OD1 3.4Å; N491-N516 PolarHBondContact N-ND2 2.98Å; N491-N516 PolarHBondContact N-OD1 3.07Å; N491-N516 PolarHBondContact O-OD1 2.65Å; N491-P517 WeakPolarHBondContact O-CD 3.35Å
492	Q	95.3	Very high	89.4	Confident	76 Å²	76	29 Å²	29	36%	0.355	17%	0.167	S	C	.	.			trans	-117.2	24.5	-179.3	-58.6	-171.9	2.1	0	0	112.8	L470 Q471 A494 N516 P517	L470-Q492 CarbonylContact O-C 3.42Å; L470-Q492 VanDerWaalsContact O-CA 3.22Å; L470-Q492 WeakPolarHBondContact O-CA 3.24Å; L470-Q492 WeakPolarHBondContact O-CB 3.47Å; L470-Q492 PolarHBondContact O-N 3.06Å; Q471-Q492 HydrophobicContact CG-CB 3.62Å; Q492-A494 PolarHBondContact O-N 2.8Å; Q492-A494 VanDerWaalsContact O-N 3.1Å; Q492-N516 PolarHBondContact N-OD1 3.19Å; Q492-P517 VanDerWaalsContact C-CG 3.48Å
493	F	94.4	Very high	89.2	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.			trans	-66.2	108.5	179	-64.5	-67.6	0	0	0	111.5	L470 Q471 L473 L488 N491 L496 N516 P517 W518	L470-F493 HydrophobicContact CB-CE1 4.08Å; L470-F493 HydrophobicContact CB-CE2 4Å; L470-F493 HydrophobicContact CB-CZ 3.51Å; L470-F493 HydrophobicContact CD1-CZ 4.08Å; L470-F493 HydrophobicContact CG-CZ 4.45Å; L470-F493 PolarHBondContact O-N 3.33Å; Q471-F493 WeakPolarHBondContact O-CD1 3.46Å; L473-F493 HydrophobicContact CD2-CE1 4.29Å; L473-F493 HydrophobicContact CD2-CZ 4.06Å; L473-F493 HydrophobicContact CG-CE1 3.91Å; L473-F493 HydrophobicContact CG-CZ 3.97Å; L488-F493 HydrophobicContact CB-CE2 3.95Å; L488-F493 HydrophobicContact CD1-CE2 4.25Å; L488-F493 HydrophobicContact CD1-CZ 4.47Å; L488-F493 HydrophobicContact CD2-CE2 3.95Å; L488-F493 HydrophobicContact CD2-CZ 4.12Å; L488-F493 HydrophobicContact CG-CE2 4.26Å; N491-F493 HydrophobicContact CB-CD2 3.68Å; N491-F493 HydrophobicContact CB-CE2 3.66Å; F493-L496 HydrophobicContact CD1-CD1 4.32Å; F493-L496 HydrophobicContact CE1-CD1 4.29Å; F493-N516 HydrophobicContact CB-CB 4.32Å; F493-N516 WeakPolarHBondContact CB-OD1 3.39Å; F493-N516 VanDerWaalsContact CD2-OD1 3.22Å; F493-N516 WeakPolarHBondContact CD2-OD1 3.32Å; F493-N516 PolarHBondContact N-OD1 2.99Å; F493-P517 CarbonylContact O-C 3.34Å; F493-P517 VanDerWaalsContact O-CD 3.31Å; F493-P517 WeakPolarHBondContact O-CD 3.21Å; F493-W518 HydrophobicContact CB-CH2 3.78Å; F493-W518 HydrophobicContact CB-CZ2 4.25Å; F493-W518 HydrophobicContact CB-CZ3 3.97Å; F493-W518 HydrophobicContact CG-CH2 4.49Å
494	A	91.9	Very high	88.7	Confident	37 Å²	37	32 Å²	32	31%	0.306	18%	0.178	S	C	.	.	S	Bend	trans	-78.8	-37.8	166.9	0	0	0	0	0	111	Q492 W518 D519	Q492-A494 PolarHBondContact O-N 2.8Å; Q492-A494 VanDerWaalsContact O-N 3.1Å; A494-W518 WeakPolarHBondContact O-CA 3.39Å; A494-D519 PolarHBondContact O-N 3.08Å
495	Y	90.4	Very high	88.7	Confident	112 Å²	112	31.3 Å²	31.3	44%	0.439	17%	0.171	S	C	.	.			trans	-145.3	155	172.7	64.3	-87.7	0	0	0	109.1	T472	T472-Y495 HydrophobicContact CG2-CE1 4.46Å; T472-Y495 HydrophobicContact CG2-CE2 4.3Å
496	L	91.1	Very high	88.6	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.016	21%	0.21	C	C	.	.			trans	-135	109.2	178.6	-176.3	60.5	0	0	0	107.3	L473 L488 F493 V498 L502 L513 W518 L527	L473-L496 HydrophobicContact CB-CD1 4.38Å; L473-L496 HydrophobicContact CD1-CD1 4.08Å; L473-L496 HydrophobicContact CG-CD1 4.17Å; L488-L496 HydrophobicContact CD1-CD2 4.28Å; F493-L496 HydrophobicContact CD1-CD1 4.32Å; F493-L496 HydrophobicContact CE1-CD1 4.29Å; L496-V498 PolarHBondContact O-N 3.2Å; L496-L502 HydrophobicContact CD2-CD1 3.85Å; L496-L502 HydrophobicContact CD2-CD2 4.22Å; L496-L502 HydrophobicContact CD2-CG 4.39Å; L496-L502 HydrophobicContact CG-CD1 3.96Å; L496-L502 HydrophobicContact CG-CG 4.41Å; L496-L513 HydrophobicContact CD2-CD1 4.36Å; L496-L513 HydrophobicContact CD2-CD2 3.61Å; L496-W518 HydrophobicContact CB-CH2 3.64Å; L496-W518 HydrophobicContact CB-CZ3 3.62Å; L496-W518 HydrophobicContact CD2-CH2 4.04Å; L496-L527 HydrophobicContact CB-CD2 4.48Å
497	P	88.1	Confident	88	Confident	50 Å²	50	44.3 Å²	44.3	33%	0.325	24%	0.239	S	C	.	.			trans	-63.5	136.1	-180	26.4	-34.1	0	0	0	109.7	V501	P497-V501 HydrophobicContact CG-CG2 4.13Å; P497-V501 WeakPolarHBondContact O-CB 3.38Å
498	V	87.5	Confident	87.9	Confident	22 Å²	22	44.6 Å²	44.6	13%	0.133	24%	0.24	C	C	.	.	I	π-helix	trans	-77.3	-44.2	171.8	170.5	0	0	0	0	110.5	L496 N500 V501 L502 D503 L527 W530	L496-V498 PolarHBondContact O-N 3.2Å; V498-N500 PolarHBondContact O-N 2.94Å; V498-V501 PolarHBondContact O-N 3Å; V498-L502 HydrophobicContact CG1-CB 4.34Å; V498-L502 HydrophobicContact CG2-CB 4.49Å; V498-L502 HydrophobicContact CG2-CD1 4.1Å; V498-L502 PolarHBondContact O-N 3.26Å; V498-D503 HydrophobicContact CG1-CB 4.35Å; V498-D503 VanDerWaalsContact O-CG 3.29Å; V498-D503 PolarHBondContact O-N 3.26Å; V498-D503 VanDerWaalsContact O-N 3.11Å; V498-L527 HydrophobicContact CG2-CB 4.35Å; V498-L527 HydrophobicContact CG2-CD1 4.42Å; V498-W530 HydrophobicContact CB-CB 4.44Å; V498-W530 HydrophobicContact CG1-CB 3.97Å; V498-W530 HydrophobicContact CG1-CG 3.88Å; V498-W530 HydrophobicContact CG2-CB 3.58Å; V498-W530 HydrophobicContact CG2-CG 3.95Å
499	S	86.6	Confident	87	Confident	80 Å²	80	47 Å²	47	56%	0.559	26%	0.255	S	S	*	.	I	π-helix	trans	-70.3	126.8	-173.5	-61.3	0	0	0	0	113	V501 D503	S499-V501 VanDerWaalsContact C-N 3.29Å; S499-D503 VanDerWaalsContact CA-OD2 3.31Å; S499-D503 WeakPolarHBondContact CA-OD2 3.34Å
500	N	85.4	Confident	86.7	Confident	74 Å²	74	47.3 Å²	47.3	40%	0.396	26%	0.256	S	S	.	.	I	π-helix	trans	62.8	26.7	-172.4	-41.4	-75.1	0	0	0	114.1	P475 H476 V498 D503	P475-N500 CarbonylContact C-O 3.29Å; P475-N500 WeakPolarHBondContact CA-O 3.43Å; P475-N500 HydrophobicContact CB-CB 3.94Å; H476-N500 PolarHBondContact CE1-OD1 3.32Å; H476-N500 PolarHBondContact N-O 3.39Å; V498-N500 PolarHBondContact O-N 2.94Å; N500-D503 VanDerWaalsContact CA-OD1 3.23Å; N500-D503 WeakPolarHBondContact CA-OD1 3.31Å; N500-D503 VanDerWaalsContact N-CG 3.27Å; N500-D503 PolarHBondContact N-OD1 3.25Å; N500-D503 PolarHBondContact N-OD2 3.49Å
501	V	89.5	Confident	86.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.246	C	C	.	.	I	π-helix	trans	-146.7	-67	176.5	179.6	0	0	0	0	111.1	L473 I477 F478 P497 V498 S499 D503	L473-V501 HydrophobicContact CB-CG1 4.4Å; L473-V501 HydrophobicContact CD1-CG1 4.19Å; I477-V501 HydrophobicContact CG2-CG1 4.08Å; F478-V501 HydrophobicContact CD2-CG1 4.15Å; F478-V501 HydrophobicContact CE2-CG1 3.99Å; P497-V501 HydrophobicContact CG-CG2 4.13Å; P497-V501 WeakPolarHBondContact O-CB 3.38Å; V498-V501 PolarHBondContact O-N 3Å; S499-V501 VanDerWaalsContact C-N 3.29Å; V501-D503 PolarHBondContact N-OD1 2.63Å
502	L	87.9	Confident	86.1	Confident	1 Å²	1	47 Å²	47	1%	0.005	25%	0.252	C	S	.	.	I	π-helix	trans	-90.5	-14.8	-177.1	-60	176.5	0	0	0	112.8	L496 V498 E504 L505 I511 L527 W530	L496-L502 HydrophobicContact CD2-CD1 3.85Å; L496-L502 HydrophobicContact CD2-CD2 4.22Å; L496-L502 HydrophobicContact CD2-CG 4.39Å; L496-L502 HydrophobicContact CG-CD1 3.96Å; L496-L502 HydrophobicContact CG-CG 4.41Å; V498-L502 HydrophobicContact CG1-CB 4.34Å; V498-L502 HydrophobicContact CG2-CB 4.49Å; V498-L502 HydrophobicContact CG2-CD1 4.1Å; V498-L502 PolarHBondContact O-N 3.26Å; L502-E504 VanDerWaalsContact C-N 3.34Å; L502-L505 HydrophobicContact CD2-CD1 3.73Å; L502-I511 HydrophobicContact CD2-CD1 4.03Å; L502-L527 HydrophobicContact CD1-CD1 3.67Å; L502-W530 HydrophobicContact CB-CD2 4.18Å; L502-W530 HydrophobicContact CB-CH2 4.2Å; L502-W530 HydrophobicContact CB-CZ2 3.76Å; L502-W530 HydrophobicContact CD1-CD2 4.34Å; L502-W530 HydrophobicContact CD1-CE3 4.01Å; L502-W530 HydrophobicContact CD1-CH2 4.22Å; L502-W530 HydrophobicContact CD1-CZ3 3.93Å; L502-W530 HydrophobicContact CD2-CH2 4.22Å; L502-W530 HydrophobicContact CD2-CZ2 4.48Å; L502-W530 HydrophobicContact CG-CH2 4.46Å; L502-W530 HydrophobicContact CG-CZ2 4.49Å; L502-W530 PolarHBondContact O-NE1 3.28Å
503	D	84.8	Confident	85.9	Confident	76 Å²	76	43.3 Å²	43.3	41%	0.406	24%	0.235	S	C	.	.	S	Bend	trans	-79.3	-12.2	169.3	60.1	-10.4	0	0	0	113.7	V498 S499 N500 V501 L505	V498-D503 HydrophobicContact CG1-CB 4.35Å; V498-D503 VanDerWaalsContact O-CG 3.29Å; V498-D503 PolarHBondContact O-N 3.26Å; V498-D503 VanDerWaalsContact O-N 3.11Å; S499-D503 VanDerWaalsContact CA-OD2 3.31Å; S499-D503 WeakPolarHBondContact CA-OD2 3.34Å; N500-D503 VanDerWaalsContact CA-OD1 3.23Å; N500-D503 WeakPolarHBondContact CA-OD1 3.31Å; N500-D503 VanDerWaalsContact N-CG 3.27Å; N500-D503 PolarHBondContact N-OD1 3.25Å; N500-D503 PolarHBondContact N-OD2 3.49Å; V501-D503 PolarHBondContact N-OD1 2.63Å; D503-L505 VanDerWaalsContact C-N 3.32Å
504	E	83.6	Confident	85.5	Confident	40 Å²	40	43.6 Å²	43.6	19%	0.187	24%	0.236	C	C	.	.	S	Bend	trans	-81.6	-9.2	171.3	-57.7	-170.2	135.1	0	0	112.9	H476 F478 S479 L502 D506	H476-E504 WeakPolarHBondContact CA-OE2 3.21Å; H476-E504 IonicContact CE1-OE1 2.71Å; H476-E504 IonicContact CG-OE1 2.66Å; H476-E504 IonicContact ND1-OE1 3.55Å; H476-E504 PolarHBondContact ND1-OE1 3.03Å; F478-E504 PolarHBondContact N-OE2 3.07Å; S479-E504 WeakPolarHBondContact CA-OE2 3.45Å; S479-E504 WeakPolarHBondContact CB-OE1 3.44Å; S479-E504 PolarHBondContact N-OE2 3.2Å; S479-E504 PolarHBondContact OG-OE1 3.1Å; L502-E504 VanDerWaalsContact C-N 3.34Å; E504-D506 PolarHBondContact O-N 2.96Å
505	L	85.3	Confident	85.2	Confident	13 Å²	13	45.4 Å²	45.4	7%	0.068	24%	0.241	C	C	.	.			trans	-92.2	54.8	-170.6	-61.8	177.4	0	0	0	113.6	F478 L483 L486 L502 D503 M507 L508	F478-L505 HydrophobicContact CB-CD2 3.74Å; F478-L505 HydrophobicContact CD2-CD1 4.13Å; F478-L505 HydrophobicContact CD2-CD2 3.79Å; F478-L505 HydrophobicContact CD2-CG 4.15Å; F478-L505 HydrophobicContact CE2-CD1 4.4Å; F478-L505 HydrophobicContact CG-CD2 3.86Å; L483-L505 HydrophobicContact CB-CD2 4Å; L483-L505 HydrophobicContact CD1-CD2 4.04Å; L486-L505 HydrophobicContact CD2-CD1 3.84Å; L502-L505 HydrophobicContact CD2-CD1 3.73Å; D503-L505 VanDerWaalsContact C-N 3.32Å; L505-M507 PolarHBondContact O-N 2.83Å; L505-M507 VanDerWaalsContact O-N 3.14Å; L505-L508 HydrophobicContact CB-CB 4.18Å; L505-L508 HydrophobicContact CB-CD2 4.05Å; L505-L508 HydrophobicContact CD1-CD1 4.42Å; L505-L508 HydrophobicContact CD1-CD2 3.97Å; L505-L508 WeakPolarHBondContact O-CB 3.36Å; L505-L508 PolarHBondContact O-N 3.47Å
506	D	80.6	Confident	85.3	Confident	153 Å²	153	40.5 Å²	40.5	82%	0.818	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.6	-176.7	-80.7	-40.4	0	0	0	115	E504	E504-D506 PolarHBondContact O-N 2.96Å
507	M	80.9	Confident	85.4	Confident	123 Å²	123	42 Å²	42	61%	0.606	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.9	8.9	-173.8	-64.7	-59.9	-55.8	0	0	114.3	L483 A484 L505 V509	L483-M507 CarbonylContact O-C 3.47Å; A484-M507 WeakPolarHBondContact CA-O 3.22Å; L505-M507 PolarHBondContact O-N 2.83Å; L505-M507 VanDerWaalsContact O-N 3.14Å; M507-V509 PolarHBondContact O-N 2.86Å
508	L	82.6	Confident	85.7	Confident	13 Å²	13	39.9 Å²	39.9	7%	0.068	22%	0.218	C	C	.	.			trans	-74	112.8	-164.9	-165	66.9	0	0	0	113.9	L486 L505 Q510 I511 W530 T538	L486-L508 HydrophobicContact CB-CD1 4.25Å; L505-L508 HydrophobicContact CB-CB 4.18Å; L505-L508 HydrophobicContact CB-CD2 4.05Å; L505-L508 HydrophobicContact CD1-CD1 4.42Å; L505-L508 HydrophobicContact CD1-CD2 3.97Å; L505-L508 WeakPolarHBondContact O-CB 3.36Å; L505-L508 PolarHBondContact O-N 3.47Å; L508-Q510 WeakPolarHBondContact CD1-O 3.17Å; L508-I511 HydrophobicContact CD1-CB 4.28Å; L508-I511 HydrophobicContact CD2-CB 3.89Å; L508-I511 HydrophobicContact CD2-CD1 4.16Å; L508-I511 HydrophobicContact CD2-CG2 3.97Å; L508-I511 HydrophobicContact CG-CB 4.26Å; L508-W530 HydrophobicContact CD2-CH2 3.8Å; L508-W530 HydrophobicContact CD2-CZ2 3.87Å; L508-T538 PolarHBondContact O-OG1 2.82Å
509	V	76.3	Confident	85.9	Confident	52 Å²	52	40.8 Å²	40.8	32%	0.315	22%	0.222	S	C	.	.	S	Bend	trans	-94.2	-31.8	177.3	-176.9	0	0	0	0	111.6	Q239 A484 M507 T538 M539	Q239-V509 HydrophobicContact CB-CG1 4.26Å; A484-V509 HydrophobicContact CB-CG2 4.37Å; A484-V509 PolarHBondContact O-N 2.81Å; M507-V509 PolarHBondContact O-N 2.86Å; V509-T538 CarbonylContact O-C 3.27Å; V509-T538 VanDerWaalsContact O-CA 3.3Å; V509-T538 WeakPolarHBondContact O-CA 3.21Å; V509-M539 PolarHBondContact O-N 3.11Å
510	Q	77.6	Confident	86.1	Confident	19 Å²	19	37.1 Å²	37.1	9%	0.089	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	136.9	-179.8	176.6	173.1	-21.4	0	0	110.7	A484 R485 L486 L508 E512 M539	A484-Q510 PolarHBondContact O-N 3.44Å; A484-Q510 VanDerWaalsContact O-N 3.08Å; R485-Q510 WeakPolarHBondContact CA-O 3.03Å; R485-Q510 HydrophobicContact CG-CB 4.03Å; L486-Q510 PolarHBondContact N-O 2.93Å; L508-Q510 WeakPolarHBondContact CD1-O 3.17Å; Q510-E512 PolarHBondContact NE2-OE1 3.24Å; Q510-M539 VanDerWaalsContact CA-O 3.3Å; Q510-M539 WeakPolarHBondContact CA-O 3.44Å; Q510-M539 HydrophobicContact CB-CB 4.22Å; Q510-M539 HydrophobicContact CG-CB 4.12Å
511	I	86.6	Confident	86.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	130.2	171.8	-171.3	-179.9	0	0	0	110.6	L486 L502 L508 L513 W530 M539 M540	L486-I511 HydrophobicContact CB-CG1 4.25Å; L486-I511 HydrophobicContact CD2-CD1 4.08Å; L486-I511 HydrophobicContact CD2-CG1 4.44Å; L486-I511 HydrophobicContact CG-CG1 4.38Å; L486-I511 WeakPolarHBondContact O-CA 3.44Å; L486-I511 WeakPolarHBondContact O-CG1 3.28Å; L502-I511 HydrophobicContact CD2-CD1 4.03Å; L508-I511 HydrophobicContact CD1-CB 4.28Å; L508-I511 HydrophobicContact CD2-CB 3.89Å; L508-I511 HydrophobicContact CD2-CD1 4.16Å; L508-I511 HydrophobicContact CD2-CG2 3.97Å; L508-I511 HydrophobicContact CG-CB 4.26Å; I511-L513 HydrophobicContact CD1-CD1 4.1Å; I511-L513 HydrophobicContact CD1-CD2 3.89Å; I511-L513 HydrophobicContact CD1-CG 3.92Å; I511-L513 HydrophobicContact CG1-CD2 4.18Å; I511-L513 HydrophobicContact CG1-CG 4.03Å; I511-W530 HydrophobicContact CD1-CH2 3.77Å; I511-W530 HydrophobicContact CD1-CZ3 4.26Å; I511-W530 HydrophobicContact CG2-CH2 4.15Å; I511-W530 HydrophobicContact CG2-CZ3 4.49Å; I511-M539 PolarHBondContact N-O 3.18Å; I511-M540 HydrophobicContact CG2-CB 4.31Å; I511-M540 HydrophobicContact CG2-CE 3.42Å; I511-M540 VanDerWaalsContact CG2-CE 3.42Å; I511-M540 HydrophobicContact CG2-CG 4.46Å; I511-M540 WeakPolarHBondContact O-CA 3.38Å
512	E	82.5	Confident	86.3	Confident	42 Å²	42	38.5 Å²	38.5	20%	0.196	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.2	178.5	-75.8	155.4	-107.5	0	0	108.6	L486 N487 L488 K489 Q510 E514	L486-E512 PolarHBondContact O-N 2.86Å; L486-E512 VanDerWaalsContact O-N 3.07Å; N487-E512 HydrophobicContact CB-CB 4.35Å; N487-E512 VanDerWaalsContact ND2-CD 3.33Å; N487-E512 PolarHBondContact ND2-OE2 3.31Å; N487-E512 VanDerWaalsContact OD1-CB 3.23Å; N487-E512 WeakPolarHBondContact OD1-CB 3.29Å; L488-E512 WeakPolarHBondContact CA-O 3.25Å; L488-E512 WeakPolarHBondContact CB-O 3.31Å; L488-E512 PolarHBondContact N-O 2.65Å; K489-E512 HydrophobicContact CB-CB 4.39Å; K489-E512 PolarHBondContact N-O 3.28Å; Q510-E512 PolarHBondContact NE2-OE1 3.24Å; E512-E514 WeakPolarHBondContact CA-OE2 3.49Å; E512-E514 WeakPolarHBondContact CB-OE2 3.47Å
513	L	89.9	Confident	86.2	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.			trans	-126.1	7.8	-175.3	-70.9	-173.5	0	0	0	112.4	L488 L496 I511 W518 L527 W530 M540 I543	L488-L513 HydrophobicContact CB-CD2 4.12Å; L488-L513 HydrophobicContact CD1-CD2 3.89Å; L496-L513 HydrophobicContact CD2-CD1 4.36Å; L496-L513 HydrophobicContact CD2-CD2 3.61Å; I511-L513 HydrophobicContact CD1-CD1 4.1Å; I511-L513 HydrophobicContact CD1-CD2 3.89Å; I511-L513 HydrophobicContact CD1-CG 3.92Å; I511-L513 HydrophobicContact CG1-CD2 4.18Å; I511-L513 HydrophobicContact CG1-CG 4.03Å; L513-W518 HydrophobicContact CB-CZ2 4.01Å; L513-W518 VanDerWaalsContact O-CZ2 3.27Å; L513-W518 WeakPolarHBondContact O-CZ2 3.44Å; L513-W518 PolarHBondContact O-NE1 3.47Å; L513-L527 HydrophobicContact CD1-CD1 4.08Å; L513-W530 HydrophobicContact CD1-CZ3 4.38Å; L513-M540 HydrophobicContact CD1-CE 4.13Å; L513-I543 HydrophobicContact CB-CD1 3.79Å; L513-I543 HydrophobicContact CB-CG1 4.08Å; L513-I543 HydrophobicContact CD1-CD1 3.83Å; L513-I543 HydrophobicContact CG-CD1 4.41Å
514	E	86.6	Confident	86.4	Confident	6 Å²	6	40.7 Å²	40.7	3%	0.028	22%	0.221	C	C	.	.			trans	-83.5	178.5	-166.7	-45.2	77.8	-170.2	0	0	111.2	K489 T490 E512 N516 G541 E834	K489-E514 WeakPolarHBondContact CA-O 3.32Å; K489-E514 HydrophobicContact CG-CB 4.17Å; T490-E514 PolarHBondContact N-O 3.16Å; E512-E514 WeakPolarHBondContact CA-OE2 3.49Å; E512-E514 WeakPolarHBondContact CB-OE2 3.47Å; E514-N516 PolarHBondContact O-N 3.2Å; E514-N516 PolarHBondContact O-ND2 3.49Å; E514-G541 WeakPolarHBondContact OE1-CA 3.22Å; E514-G541 PolarHBondContact OE1-N 3.15Å; E514-E834 VanDerWaalsContact CB-CD 3.41Å; E514-E834 WeakPolarHBondContact CB-OE1 3.26Å; E514-E834 VanDerWaalsContact CB-OE2 3.24Å; E514-E834 WeakPolarHBondContact CB-OE2 3.43Å
515	D	86.1	Confident	86.7	Confident	74 Å²	74	39.3 Å²	39.3	40%	0.396	22%	0.215	S	C	.	.	S	Bend	trans	48.2	20	-171.5	-94.8	-37.8	0	0	0	117.4	K489 T490 E834	K489-D515 HydrophobicContact CG-CB 4.31Å; K489-D515 IonicContact NZ-OD2 3.91Å; K489-D515 PolarHBondContact NZ-OD2 2.67Å; T490-D515 HydrophobicContact CG2-CB 4.35Å; T490-D515 WeakPolarHBondContact OG1-CB 3.47Å; D515-E834 PolarHBondContact N-OE1 2.74Å; D515-E834 VanDerWaalsContact N-OE1 3.09Å
516	N	92.1	Very high	86.8	Confident	10 Å²	10	40.4 Å²	40.4	5%	0.053	23%	0.23	C	C	.	.			trans	-99	150.4	-178.4	-89.2	-86.7	0	0	0	112.5	L488 T490 N491 Q492 F493 E514 W518	L488-N516 PolarHBondContact O-ND2 3.14Å; T490-N516 PolarHBondContact N-ND2 2.63Å; N491-N516 VanDerWaalsContact CA-OD1 3.26Å; N491-N516 WeakPolarHBondContact CA-OD1 3.27Å; N491-N516 WeakPolarHBondContact CB-OD1 3.4Å; N491-N516 PolarHBondContact N-ND2 2.98Å; N491-N516 PolarHBondContact N-OD1 3.07Å; N491-N516 PolarHBondContact O-OD1 2.65Å; Q492-N516 PolarHBondContact N-OD1 3.19Å; F493-N516 HydrophobicContact CB-CB 4.32Å; F493-N516 WeakPolarHBondContact CB-OD1 3.39Å; F493-N516 VanDerWaalsContact CD2-OD1 3.22Å; F493-N516 WeakPolarHBondContact CD2-OD1 3.32Å; F493-N516 PolarHBondContact N-OD1 2.99Å; E514-N516 PolarHBondContact O-N 3.2Å; E514-N516 PolarHBondContact O-ND2 3.49Å; N516-W518 HydrophobicContact CB-CD2 4.3Å; N516-W518 HydrophobicContact CB-CG 4.5Å; N516-W518 HydrophobicContact CB-CZ2 3.83Å; N516-W518 VanDerWaalsContact CB-NE1 3.34Å; N516-W518 PolarHBondContact O-N 3.02Å
517	P	93.3	Very high	87.3	Confident	35 Å²	35	33.3 Å²	33.3	23%	0.227	19%	0.192	C	C	.	.			trans	-79.7	49.4	-172.9	35.1	-39.3	0	0	0	114.3	N491 Q492 F493 D519 K546	N491-P517 WeakPolarHBondContact O-CD 3.35Å; Q492-P517 VanDerWaalsContact C-CG 3.48Å; F493-P517 CarbonylContact O-C 3.34Å; F493-P517 VanDerWaalsContact O-CD 3.31Å; F493-P517 WeakPolarHBondContact O-CD 3.21Å; P517-D519 PolarHBondContact O-N 3.29Å; P517-K546 HydrophobicContact CB-CD 3.66Å
518	W	93.8	Very high	87.7	Confident	5 Å²	5	27.4 Å²	27.4	2%	0.019	16%	0.163	C	C	.	.			trans	-53	127.1	-171.4	-61.8	108.8	0	0	0	114.5	F493 A494 L496 L513 N516 L527 I543 K546 S547	F493-W518 HydrophobicContact CB-CH2 3.78Å; F493-W518 HydrophobicContact CB-CZ2 4.25Å; F493-W518 HydrophobicContact CB-CZ3 3.97Å; F493-W518 HydrophobicContact CG-CH2 4.49Å; A494-W518 WeakPolarHBondContact O-CA 3.39Å; L496-W518 HydrophobicContact CB-CH2 3.64Å; L496-W518 HydrophobicContact CB-CZ3 3.62Å; L496-W518 HydrophobicContact CD2-CH2 4.04Å; L513-W518 HydrophobicContact CB-CZ2 4.01Å; L513-W518 VanDerWaalsContact O-CZ2 3.27Å; L513-W518 WeakPolarHBondContact O-CZ2 3.44Å; L513-W518 PolarHBondContact O-NE1 3.47Å; N516-W518 HydrophobicContact CB-CD2 4.3Å; N516-W518 HydrophobicContact CB-CG 4.5Å; N516-W518 HydrophobicContact CB-CZ2 3.83Å; N516-W518 VanDerWaalsContact CB-NE1 3.34Å; N516-W518 PolarHBondContact O-N 3.02Å; W518-L527 HydrophobicContact CE3-CD2 3.96Å; W518-L527 HydrophobicContact CH2-CD2 3.92Å; W518-L527 HydrophobicContact CZ3-CD2 3.58Å; W518-I543 HydrophobicContact CD2-CG2 4.25Å; W518-I543 HydrophobicContact CG-CG2 4.03Å; W518-K546 PolarHBondContact O-N 2.99Å; W518-S547 PolarHBondContact O-N 3.28Å
519	D	92.2	Very high	87.9	Confident	41 Å²	41	32 Å²	32	22%	0.219	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-97.8	102.1	170	-175.1	55.1	0	0	0	110.2	A494 P517 T521 S547	A494-D519 PolarHBondContact O-N 3.08Å; P517-D519 PolarHBondContact O-N 3.29Å; D519-T521 PolarHBondContact O-N 2.89Å; D519-T521 WeakPolarHBondContact OD2-CB 3.47Å; D519-T521 WeakPolarHBondContact OD2-CG2 3.44Å; D519-T521 PolarHBondContact OD2-OG1 3.1Å; D519-S547 WeakPolarHBondContact CA-O 3.28Å; D519-S547 WeakPolarHBondContact OD1-CB 3.45Å; D519-S547 PolarHBondContact OD1-OG 2.93Å
520	C	91.1	Very high	88.5	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.014	17%	0.173	C	C	.	.			trans	-81.2	57.1	-176.5	-70.3	0	0	0	0	112.2	S524 C545 S547 L551 L564	C520-S524 WeakPolarHBondContact CA-OG 3.43Å; C520-C545 HydrophobicContact CB-CB 3.73Å; C520-C545 WeakPolarHBondContact CB-SG 3.19Å; C520-C545 WeakPolarHBondContact SG-CA 3.39Å; C520-C545 WeakPolarHBondContact SG-CB 3.39Å; C520-C545 CovalentContact SG-SG 2.02Å; C520-C545 PolarHBondContact SG-SG 3.2Å; C520-S547 PolarHBondContact N-O 2.99Å; C520-L551 HydrophobicContact CB-CB 4.48Å; C520-L551 HydrophobicContact CB-CD1 4.08Å; C520-L551 WeakPolarHBondContact O-CD1 3.37Å; C520-L564 HydrophobicContact CB-CD2 3.67Å; C520-L564 WeakPolarHBondContact O-CD2 3.4Å
521	T	89.5	Confident	88.9	Confident	41 Å²	41	30.6 Å²	30.6	25%	0.252	17%	0.172	S	C	.	.	S	Bend	trans	-102.1	-167.4	172.7	55.9	0	0	0	0	110.6	D519 D523 S524 P548 L564	D519-T521 PolarHBondContact O-N 2.89Å; D519-T521 WeakPolarHBondContact OD2-CB 3.47Å; D519-T521 WeakPolarHBondContact OD2-CG2 3.44Å; D519-T521 PolarHBondContact OD2-OG1 3.1Å; T521-D523 PolarHBondContact O-N 3.42Å; T521-D523 VanDerWaalsContact O-N 3.12Å; T521-S524 WeakPolarHBondContact O-CB 3.49Å; T521-S524 PolarHBondContact O-N 3.4Å; T521-S524 PolarHBondContact O-OG 3.04Å; T521-P548 HydrophobicContact CG2-CG 4.43Å; T521-L564 CarbonylContact C-O 3.56Å; T521-L564 VanDerWaalsContact C-O 3.26Å
522	C	88.2	Confident	88.7	Confident	63 Å²	63	35.6 Å²	35.6	43%	0.426	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-34.3	-177.9	-70.8	0	0	0	0	114.2	S524 V525 L564 C565	C522-S524 VanDerWaalsContact C-N 3.27Å; C522-S524 PolarHBondContact O-N 3.04Å; C522-V525 VanDerWaalsContact O-CB 3.31Å; C522-V525 WeakPolarHBondContact O-CB 3.36Å; C522-V525 WeakPolarHBondContact O-CG2 3.4Å; C522-V525 PolarHBondContact O-N 2.97Å; C522-L564 PolarHBondContact N-O 2.87Å; C522-C565 HydrophobicContact CB-CB 3.82Å; C522-C565 WeakPolarHBondContact CB-SG 3.32Å; C522-C565 WeakPolarHBondContact SG-CA 3.32Å; C522-C565 WeakPolarHBondContact SG-CB 3.28Å; C522-C565 CovalentContact SG-SG 2.05Å; C522-C565 PolarHBondContact SG-SG 2.95Å
523	D	86.9	Confident	88.7	Confident	115 Å²	115	42.1 Å²	42.1	62%	0.615	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-27.4	-177.9	-60.4	-45.8	0	0	0	112.3	T521 V525	T521-D523 PolarHBondContact O-N 3.42Å; T521-D523 VanDerWaalsContact O-N 3.12Å; D523-V525 VanDerWaalsContact C-N 3.27Å; D523-V525 PolarHBondContact O-N 3.4Å
524	S	89.5	Confident	88.1	Confident	7 Å²	7	44.3 Å²	44.3	5%	0.049	23%	0.234	C	C	.	.	H	α-helix	trans	-71.1	-15.2	175	74	0	0	0	0	114.2	C520 T521 C522 G526 L527 Q528	C520-S524 WeakPolarHBondContact CA-OG 3.43Å; T521-S524 WeakPolarHBondContact O-CB 3.49Å; T521-S524 PolarHBondContact O-N 3.4Å; T521-S524 PolarHBondContact O-OG 3.04Å; C522-S524 VanDerWaalsContact C-N 3.27Å; C522-S524 PolarHBondContact O-N 3.04Å; S524-G526 PolarHBondContact O-N 2.91Å; S524-L527 PolarHBondContact O-N 3.14Å; S524-L527 VanDerWaalsContact O-N 3.12Å; S524-Q528 WeakPolarHBondContact O-CB 3.49Å; S524-Q528 PolarHBondContact O-N 2.93Å
525	V	89.2	Confident	86.9	Confident	11 Å²	11	47.1 Å²	47.1	7%	0.067	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-28.9	-178.4	175.4	0	0	0	0	112.2	C522 D523 K529 L564 C565 L568	C522-V525 VanDerWaalsContact O-CB 3.31Å; C522-V525 WeakPolarHBondContact O-CB 3.36Å; C522-V525 WeakPolarHBondContact O-CG2 3.4Å; C522-V525 PolarHBondContact O-N 2.97Å; D523-V525 VanDerWaalsContact C-N 3.27Å; D523-V525 PolarHBondContact O-N 3.4Å; V525-K529 HydrophobicContact CG1-CD 4.12Å; V525-K529 WeakPolarHBondContact O-CG 3.48Å; V525-K529 PolarHBondContact O-N 2.84Å; V525-L564 HydrophobicContact CG2-CB 3.63Å; V525-L564 HydrophobicContact CG2-CD1 3.98Å; V525-L564 HydrophobicContact CG2-CG 4.47Å; V525-C565 HydrophobicContact CG2-CB 3.94Å; V525-L568 HydrophobicContact CG1-CD1 4.31Å
526	G	87.7	Confident	85.4	Confident	37 Å²	37	53.8 Å²	53.8	38%	0.381	28%	0.28	S	S	.	.	H	α-helix	trans	-64.2	-54.3	171.7	0	0	0	0	0	111.2	S524 K529 W530	S524-G526 PolarHBondContact O-N 2.91Å; G526-K529 PolarHBondContact O-N 3.34Å; G526-W530 PolarHBondContact O-N 2.95Å
527	L	89.9	Confident	83.4	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-59.7	-47.6	-179.9	-176.6	62.2	0	0	0	111.7	L496 V498 L502 L513 W518 S524 K529 W530 I531 L556	L496-L527 HydrophobicContact CB-CD2 4.48Å; V498-L527 HydrophobicContact CG2-CB 4.35Å; V498-L527 HydrophobicContact CG2-CD1 4.42Å; L502-L527 HydrophobicContact CD1-CD1 3.67Å; L513-L527 HydrophobicContact CD1-CD1 4.08Å; W518-L527 HydrophobicContact CE3-CD2 3.96Å; W518-L527 HydrophobicContact CH2-CD2 3.92Å; W518-L527 HydrophobicContact CZ3-CD2 3.58Å; S524-L527 PolarHBondContact O-N 3.14Å; S524-L527 VanDerWaalsContact O-N 3.12Å; L527-K529 VanDerWaalsContact C-N 3.35Å; L527-K529 PolarHBondContact O-N 2.83Å; L527-W530 HydrophobicContact CD1-CE3 4.08Å; L527-W530 HydrophobicContact CD1-CZ3 4.47Å; L527-W530 PolarHBondContact O-N 3.12Å; L527-W530 VanDerWaalsContact O-N 3.13Å; L527-I531 HydrophobicContact CD1-CD1 4.3Å; L527-I531 HydrophobicContact CD1-CG1 4.41Å; L527-I531 HydrophobicContact CG-CD1 3.88Å; L527-I531 HydrophobicContact CG-CG1 4.46Å; L527-I531 WeakPolarHBondContact O-CD1 3.5Å; L527-I531 VanDerWaalsContact O-CG1 3.25Å; L527-I531 WeakPolarHBondContact O-CG1 3.38Å; L527-I531 PolarHBondContact O-N 3.33Å; L527-L556 HydrophobicContact CB-CD2 4.48Å; L527-L556 HydrophobicContact CD2-CD2 3.98Å; L527-L556 HydrophobicContact CG-CD2 4.12Å
528	Q	89.2	Confident	81.8	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-47.9	-52.9	172.6	179	-156	35.3	0	0	112.4	S524 W530 I531 Q532 L556 L559 N560 S561 L564	S524-Q528 WeakPolarHBondContact O-CB 3.49Å; S524-Q528 PolarHBondContact O-N 2.93Å; Q528-W530 VanDerWaalsContact C-N 3.32Å; Q528-W530 PolarHBondContact O-N 3.27Å; Q528-I531 PolarHBondContact O-N 3.26Å; Q528-Q532 WeakPolarHBondContact O-CG 3.42Å; Q528-Q532 PolarHBondContact O-N 2.68Å; Q528-L556 HydrophobicContact CB-CD1 4.1Å; Q528-L556 HydrophobicContact CB-CG 4.25Å; Q528-L559 PolarHBondContact NE2-O 3.48Å; Q528-N560 VanDerWaalsContact NE2-C 3.29Å; Q528-S561 VanDerWaalsContact NE2-N 3.15Å; Q528-S561 PolarHBondContact OE1-OG 2.92Å; Q528-L564 HydrophobicContact CB-CD1 4Å; Q528-L564 HydrophobicContact CG-CD1 4Å
529	K	87.2	Confident	80	Confident	108 Å²	108	62.3 Å²	62.3	47%	0.47	32%	0.323	S	S	.	.	H	α-helix	trans	-70.3	-28.7	-177.3	-74	174.2	178.6	172.9	0	112.8	V525 G526 L527 K533 S561	V525-K529 HydrophobicContact CG1-CD 4.12Å; V525-K529 WeakPolarHBondContact O-CG 3.48Å; V525-K529 PolarHBondContact O-N 2.84Å; G526-K529 PolarHBondContact O-N 3.34Å; L527-K529 VanDerWaalsContact C-N 3.35Å; L527-K529 PolarHBondContact O-N 2.83Å; K529-K533 VanDerWaalsContact O-CB 3.27Å; K529-K533 WeakPolarHBondContact O-CB 3.23Å; K529-K533 PolarHBondContact O-N 2.88Å; K529-S561 WeakPolarHBondContact CE-OG 3.32Å
530	W	88.5	Confident	79.1	Confident	29 Å²	29	62 Å²	62	11%	0.11	32%	0.321	C	S	.	.	H	α-helix	trans	-70.6	-47.1	173	-178.2	87.2	0	0	0	111.1	V498 L502 L508 I511 L513 G526 L527 Q528 Q532 K533 L534 M540	V498-W530 HydrophobicContact CB-CB 4.44Å; V498-W530 HydrophobicContact CG1-CB 3.97Å; V498-W530 HydrophobicContact CG1-CG 3.88Å; V498-W530 HydrophobicContact CG2-CB 3.58Å; V498-W530 HydrophobicContact CG2-CG 3.95Å; L502-W530 HydrophobicContact CB-CD2 4.18Å; L502-W530 HydrophobicContact CB-CH2 4.2Å; L502-W530 HydrophobicContact CB-CZ2 3.76Å; L502-W530 HydrophobicContact CD1-CD2 4.34Å; L502-W530 HydrophobicContact CD1-CE3 4.01Å; L502-W530 HydrophobicContact CD1-CH2 4.22Å; L502-W530 HydrophobicContact CD1-CZ3 3.93Å; L502-W530 HydrophobicContact CD2-CH2 4.22Å; L502-W530 HydrophobicContact CD2-CZ2 4.48Å; L502-W530 HydrophobicContact CG-CH2 4.46Å; L502-W530 HydrophobicContact CG-CZ2 4.49Å; L502-W530 PolarHBondContact O-NE1 3.28Å; L508-W530 HydrophobicContact CD2-CH2 3.8Å; L508-W530 HydrophobicContact CD2-CZ2 3.87Å; I511-W530 HydrophobicContact CD1-CH2 3.77Å; I511-W530 HydrophobicContact CD1-CZ3 4.26Å; I511-W530 HydrophobicContact CG2-CH2 4.15Å; I511-W530 HydrophobicContact CG2-CZ3 4.49Å; L513-W530 HydrophobicContact CD1-CZ3 4.38Å; G526-W530 PolarHBondContact O-N 2.95Å; L527-W530 HydrophobicContact CD1-CE3 4.08Å; L527-W530 HydrophobicContact CD1-CZ3 4.47Å; L527-W530 PolarHBondContact O-N 3.12Å; L527-W530 VanDerWaalsContact O-N 3.13Å; Q528-W530 VanDerWaalsContact C-N 3.32Å; Q528-W530 PolarHBondContact O-N 3.27Å; W530-Q532 VanDerWaalsContact C-N 3.31Å; W530-Q532 PolarHBondContact O-N 2.88Å; W530-K533 CarbonylContact O-C 3.54Å; W530-K533 WeakPolarHBondContact O-CA 3.36Å; W530-K533 PolarHBondContact O-N 3.48Å; W530-L534 HydrophobicContact CD2-CD1 4.49Å; W530-L534 HydrophobicContact CD2-CG 4.4Å; W530-L534 HydrophobicContact CE3-CD1 4.04Å; W530-L534 HydrophobicContact CE3-CG 4.42Å; W530-L534 HydrophobicContact CH2-CD1 3.98Å; W530-L534 HydrophobicContact CH2-CD2 4.28Å; W530-L534 HydrophobicContact CZ2-CD1 4.42Å; W530-L534 HydrophobicContact CZ2-CD2 3.95Å; W530-L534 HydrophobicContact CZ2-CG 4.48Å; W530-L534 HydrophobicContact CZ3-CD1 3.79Å; W530-L534 PolarHBondContact O-N 2.87Å; W530-M540 HydrophobicContact CE3-CE 4.33Å; W530-M540 HydrophobicContact CH2-CE 4.32Å; W530-M540 HydrophobicContact CZ3-CE 3.58Å
531	I	86.8	Confident	78	Confident	14 Å²	14	62 Å²	62	7%	0.072	32%	0.322	C	S	.	.	H	α-helix	trans	-55.4	-45.3	173.4	-62.7	158.6	0	0	0	111	L527 Q528 K533 L534 M540 I543 L556 K557	L527-I531 HydrophobicContact CD1-CD1 4.3Å; L527-I531 HydrophobicContact CD1-CG1 4.41Å; L527-I531 HydrophobicContact CG-CD1 3.88Å; L527-I531 HydrophobicContact CG-CG1 4.46Å; L527-I531 WeakPolarHBondContact O-CD1 3.5Å; L527-I531 VanDerWaalsContact O-CG1 3.25Å; L527-I531 WeakPolarHBondContact O-CG1 3.38Å; L527-I531 PolarHBondContact O-N 3.33Å; Q528-I531 PolarHBondContact O-N 3.26Å; I531-K533 PolarHBondContact O-N 3Å; I531-L534 PolarHBondContact O-N 2.68Å; I531-M540 HydrophobicContact CB-SD 4.37Å; I531-M540 HydrophobicContact CG1-CE 4.05Å; I531-M540 HydrophobicContact CG1-SD 3.9Å; I531-M540 HydrophobicContact CG2-SD 3.79Å; I531-I543 HydrophobicContact CD1-CD1 3.58Å; I531-I543 HydrophobicContact CG1-CD1 4.19Å; I531-L556 HydrophobicContact CD1-CD2 3.9Å; I531-L556 HydrophobicContact CD1-CG 4.42Å; I531-K557 HydrophobicContact CG2-CB 4.14Å; I531-K557 HydrophobicContact CG2-CD 4.36Å; I531-K557 HydrophobicContact CG2-CG 3.9Å
532	Q	83	Confident	77.4	Confident	105 Å²	105	62.1 Å²	62.1	49%	0.491	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.7	177.5	-70.5	175.8	-7.2	0	0	114	Q528 W530 K557	Q528-Q532 WeakPolarHBondContact O-CG 3.42Å; Q528-Q532 PolarHBondContact O-N 2.68Å; W530-Q532 VanDerWaalsContact C-N 3.31Å; W530-Q532 PolarHBondContact O-N 2.88Å; Q532-K557 PolarHBondContact NE2-O 3.33Å
533	K	82.2	Confident	77.3	Confident	179 Å²	179	59.4 Å²	59.4	78%	0.778	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-19.3	178	-174.4	-171.4	169.5	-155.8	0	112.9	K529 W530 I531	K529-K533 VanDerWaalsContact O-CB 3.27Å; K529-K533 WeakPolarHBondContact O-CB 3.23Å; K529-K533 PolarHBondContact O-N 2.88Å; W530-K533 CarbonylContact O-C 3.54Å; W530-K533 WeakPolarHBondContact O-CA 3.36Å; W530-K533 PolarHBondContact O-N 3.48Å; I531-K533 PolarHBondContact O-N 3Å
534	L	76.9	Confident	77.4	Confident	46 Å²	46	58.8 Å²	58.8	24%	0.241	29%	0.294	C	S	.	.	S	Bend	trans	-55.4	152.3	179	-81	175.9	0	0	0	112.1	W530 I531 T538 M540	W530-L534 HydrophobicContact CD2-CD1 4.49Å; W530-L534 HydrophobicContact CD2-CG 4.4Å; W530-L534 HydrophobicContact CE3-CD1 4.04Å; W530-L534 HydrophobicContact CE3-CG 4.42Å; W530-L534 HydrophobicContact CH2-CD1 3.98Å; W530-L534 HydrophobicContact CH2-CD2 4.28Å; W530-L534 HydrophobicContact CZ2-CD1 4.42Å; W530-L534 HydrophobicContact CZ2-CD2 3.95Å; W530-L534 HydrophobicContact CZ2-CG 4.48Å; W530-L534 HydrophobicContact CZ3-CD1 3.79Å; W530-L534 PolarHBondContact O-N 2.87Å; I531-L534 PolarHBondContact O-N 2.68Å; L534-T538 HydrophobicContact CD1-CG2 4.38Å; L534-T538 HydrophobicContact CD2-CG2 4.25Å; L534-M540 HydrophobicContact CD1-CE 3.32Å; L534-M540 HydrophobicContact CD1-SD 4.17Å
535	S	60.7	Low	77.5	Confident	65 Å²	65	58.6 Å²	58.6	46%	0.455	29%	0.293	S	S	.	.			trans	-66.9	148.7	-179	90.4	0	0	0	0	110.5	N537 T538	S535-N537 PolarHBondContact O-N 2.88Å; S535-N537 PolarHBondContact OG-N 2.78Å; S535-T538 PolarHBondContact O-N 3.33Å; S535-T538 PolarHBondContact OG-N 3.05Å; S535-T538 VanDerWaalsContact OG-N 3.15Å; S535-T538 PolarHBondContact OG-OG1 2.89Å
536	K	55	Low	77.6	Confident	214 Å²	214	65.1 Å²	65.1	93%	0.93	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-6.7	172.2	-70.2	-169.3	175.1	-171.7	0	114.2
537	N	50.9	Low	77.7	Confident	129 Å²	129	65.7 Å²	65.7	69%	0.69	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-5.5	179.8	-59.2	9.7	0	0	0	112	S535	S535-N537 PolarHBondContact O-N 2.88Å; S535-N537 PolarHBondContact OG-N 2.78Å
538	T	59	Low	77.6	Confident	21 Å²	21	66.9 Å²	66.9	13%	0.129	33%	0.326	C	S	.	.	S	Bend	trans	-84.3	118.3	177.3	-54.8	0	0	0	0	108.6	L508 V509 L534 S535	L508-T538 PolarHBondContact O-OG1 2.82Å; V509-T538 CarbonylContact O-C 3.27Å; V509-T538 VanDerWaalsContact O-CA 3.3Å; V509-T538 WeakPolarHBondContact O-CA 3.21Å; L534-T538 HydrophobicContact CD1-CG2 4.38Å; L534-T538 HydrophobicContact CD2-CG2 4.25Å; S535-T538 PolarHBondContact O-N 3.33Å; S535-T538 PolarHBondContact OG-N 3.05Å; S535-T538 VanDerWaalsContact OG-N 3.15Å; S535-T538 PolarHBondContact OG-OG1 2.89Å
539	M	57	Low	77.4	Confident	78 Å²	78	70.3 Å²	70.3	38%	0.384	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-79	124	-179.4	-58.3	-62.6	-78.1	0	0	109.9	L211 V509 Q510 I511	L211-M539 HydrophobicContact CD1-CE 3.76Å; L211-M539 HydrophobicContact CD2-CE 4.47Å; V509-M539 PolarHBondContact O-N 3.11Å; Q510-M539 VanDerWaalsContact CA-O 3.3Å; Q510-M539 WeakPolarHBondContact CA-O 3.44Å; Q510-M539 HydrophobicContact CB-CB 4.22Å; Q510-M539 HydrophobicContact CG-CB 4.12Å; I511-M539 PolarHBondContact N-O 3.18Å
540	M	73.5	Confident	77.4	Confident	34 Å²	34	71.3 Å²	71.3	17%	0.167	37%	0.368	C	S	.	.			trans	-155.4	136.8	-179.9	172.4	-167.8	-82.3	0	0	108	I511 L513 W530 I531 L534 I543	I511-M540 HydrophobicContact CG2-CB 4.31Å; I511-M540 HydrophobicContact CG2-CE 3.42Å; I511-M540 VanDerWaalsContact CG2-CE 3.42Å; I511-M540 HydrophobicContact CG2-CG 4.46Å; I511-M540 WeakPolarHBondContact O-CA 3.38Å; L513-M540 HydrophobicContact CD1-CE 4.13Å; W530-M540 HydrophobicContact CE3-CE 4.33Å; W530-M540 HydrophobicContact CH2-CE 4.32Å; W530-M540 HydrophobicContact CZ3-CE 3.58Å; I531-M540 HydrophobicContact CB-SD 4.37Å; I531-M540 HydrophobicContact CG1-CE 4.05Å; I531-M540 HydrophobicContact CG1-SD 3.9Å; I531-M540 HydrophobicContact CG2-SD 3.79Å; L534-M540 HydrophobicContact CD1-CE 3.32Å; L534-M540 HydrophobicContact CD1-SD 4.17Å; M540-I543 HydrophobicContact CE-CD1 4.36Å; M540-I543 HydrophobicContact CG-CD1 4.42Å; M540-I543 HydrophobicContact SD-CD1 3.85Å
541	G	67.2	Low	77.3	Confident	4 Å²	4	70 Å²	70	4%	0.041	36%	0.363	C	S	.	.			trans	-84.9	-176.6	175.5	0	0	0	0	0	114.4	E514 I543 Q838	E514-G541 WeakPolarHBondContact OE1-CA 3.22Å; E514-G541 PolarHBondContact OE1-N 3.15Å; G541-I543 PolarHBondContact O-N 2.92Å; G541-Q838 VanDerWaalsContact CA-NE2 3.31Å
542	D	77.4	Confident	77.3	Confident	43 Å²	43	71.3 Å²	71.3	23%	0.23	38%	0.375	C	S	.	.			trans	-87.9	111.2	-168.1	-60.6	-51.4	0	0	0	111.9	F544 E555 K557	D542-F544 HydrophobicContact CB-CE2 3.8Å; D542-F544 HydrophobicContact CB-CZ 3.8Å; D542-F544 WeakPolarHBondContact O-CD2 3.41Å; D542-F544 VanDerWaalsContact O-CE2 3.3Å; D542-F544 WeakPolarHBondContact O-CE2 3.43Å; D542-F544 PolarHBondContact O-N 3.05Å; D542-E555 HydrophobicContact CB-CG 4.44Å; D542-K557 IonicContact OD1-NZ 2.77Å
543	I	86.6	Confident	77.4	Confident	5 Å²	5	73.1 Å²	73.1	3%	0.026	38%	0.382	C	S	.	.			trans	-82.4	101.9	-174.4	-69	163.3	0	0	0	109.7	L513 W518 I531 M540 G541 E555 L556	L513-I543 HydrophobicContact CB-CD1 3.79Å; L513-I543 HydrophobicContact CB-CG1 4.08Å; L513-I543 HydrophobicContact CD1-CD1 3.83Å; L513-I543 HydrophobicContact CG-CD1 4.41Å; W518-I543 HydrophobicContact CD2-CG2 4.25Å; W518-I543 HydrophobicContact CG-CG2 4.03Å; I531-I543 HydrophobicContact CD1-CD1 3.58Å; I531-I543 HydrophobicContact CG1-CD1 4.19Å; M540-I543 HydrophobicContact CE-CD1 4.36Å; M540-I543 HydrophobicContact CG-CD1 4.42Å; M540-I543 HydrophobicContact SD-CD1 3.85Å; G541-I543 PolarHBondContact O-N 2.92Å; I543-E555 CarbonylContact O-C 3.49Å; I543-E555 WeakPolarHBondContact O-CA 3.22Å; I543-L556 HydrophobicContact CB-CB 4.45Å; I543-L556 HydrophobicContact CG2-CB 3.99Å; I543-L556 HydrophobicContact CG2-CD2 3.92Å; I543-L556 WeakPolarHBondContact O-CB 3.25Å; I543-L556 PolarHBondContact O-N 2.89Å
544	F	88.3	Confident	77.6	Confident	102 Å²	102	69 Å²	69	45%	0.447	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-88.5	133.2	179.5	-63	-75.4	0	0	0	113.2	D542 K554 E555	D542-F544 HydrophobicContact CB-CE2 3.8Å; D542-F544 HydrophobicContact CB-CZ 3.8Å; D542-F544 WeakPolarHBondContact O-CD2 3.41Å; D542-F544 VanDerWaalsContact O-CE2 3.3Å; D542-F544 WeakPolarHBondContact O-CE2 3.43Å; D542-F544 PolarHBondContact O-N 3.05Å; F544-K554 WeakPolarHBondContact CA-O 3.44Å; F544-E555 HydrophobicContact CD1-CB 4.4Å; F544-E555 HydrophobicContact CE1-CB 4.22Å
545	C	91.2	Very high	78.1	Confident	3 Å²	3	69.1 Å²	69.1	2%	0.02	36%	0.363	C	S	.	.			trans	-66.2	133.3	170.8	-59.9	0	0	0	0	111.3	C520 L551 A552 K553 K554	C520-C545 HydrophobicContact CB-CB 3.73Å; C520-C545 WeakPolarHBondContact CB-SG 3.19Å; C520-C545 WeakPolarHBondContact SG-CA 3.39Å; C520-C545 WeakPolarHBondContact SG-CB 3.39Å; C520-C545 CovalentContact SG-SG 2.02Å; C520-C545 PolarHBondContact SG-SG 3.2Å; C545-L551 HydrophobicContact CB-CB 4.35Å; C545-L551 VanDerWaalsContact CB-O 3.3Å; C545-L551 WeakPolarHBondContact CB-O 3.31Å; C545-A552 CarbonylContact O-C 3.23Å; C545-A552 VanDerWaalsContact O-CA 3.3Å; C545-A552 WeakPolarHBondContact O-CA 3.5Å; C545-K553 PolarHBondContact O-N 2.87Å; C545-K554 WeakPolarHBondContact CB-O 3.48Å; C545-K554 PolarHBondContact N-O 3.05Å; C545-K554 PolarHBondContact SG-O 2.98Å; C545-K554 VanDerWaalsContact SG-O 3.36Å
546	K	91.5	Very high	79.4	Confident	148 Å²	148	66 Å²	66	64%	0.643	34%	0.342	S	S	*	.			trans	-101.6	-37.3	170.5	-170.8	172.7	-173.1	168.2	0	112	P517 W518	P517-K546 HydrophobicContact CB-CD 3.66Å; W518-K546 PolarHBondContact O-N 2.99Å
547	S	89.7	Confident	80.8	Confident	49 Å²	49	60.2 Å²	60.2	34%	0.343	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-126.8	159.6	174.6	177	0	0	0	0	109	W518 D519 C520	W518-S547 PolarHBondContact O-N 3.28Å; D519-S547 WeakPolarHBondContact CA-O 3.28Å; D519-S547 WeakPolarHBondContact OD1-CB 3.45Å; D519-S547 PolarHBondContact OD1-OG 2.93Å; C520-S547 PolarHBondContact N-O 2.99Å
548	P	88	Confident	82.4	Confident	28 Å²	28	57.7 Å²	57.7	18%	0.182	31%	0.309	C	S	.	.	S	Bend	cis	-67.4	157.3	-17.3	31.2	-36	0	0	0	111.5	T521 H550 L551 A552	T521-P548 HydrophobicContact CG2-CG 4.43Å; P548-H550 WeakPolarHBondContact CG-CE1 3.26Å; P548-H550 PolarHBondContact O-N 2.86Å; P548-L551 HydrophobicContact CG-CB 4.46Å; P548-L551 HydrophobicContact CG-CD1 4.13Å; P548-L551 HydrophobicContact CG-CG 4.27Å; P548-L551 WeakPolarHBondContact O-CA 3.35Å; P548-L551 PolarHBondContact O-N 3.31Å; P548-A552 PolarHBondContact O-N 3.45Å; P548-A552 VanDerWaalsContact O-N 3.16Å
549	G	85.3	Confident	83.6	Confident	72 Å²	72	57.4 Å²	57.4	74%	0.742	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-12.3	-171.1	0	0	0	0	0	117.3
550	H	86.1	Confident	84.9	Confident	129 Å²	129	58.8 Å²	58.8	60%	0.597	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-8.8	173.1	68.1	-89.1	0	0	0	113.6	P548 K554	P548-H550 WeakPolarHBondContact CG-CE1 3.26Å; P548-H550 PolarHBondContact O-N 2.86Å; H550-K554 PolarHBondContact O-NZ 3.09Å
551	L	86.9	Confident	85.4	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.016	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-7.5	171.8	-59.1	-179.5	0	0	0	112.9	C520 C545 P548 K553 K554 L559 V563 L564	C520-L551 HydrophobicContact CB-CB 4.48Å; C520-L551 HydrophobicContact CB-CD1 4.08Å; C520-L551 WeakPolarHBondContact O-CD1 3.37Å; C545-L551 HydrophobicContact CB-CB 4.35Å; C545-L551 VanDerWaalsContact CB-O 3.3Å; C545-L551 WeakPolarHBondContact CB-O 3.31Å; P548-L551 HydrophobicContact CG-CB 4.46Å; P548-L551 HydrophobicContact CG-CD1 4.13Å; P548-L551 HydrophobicContact CG-CG 4.27Å; P548-L551 WeakPolarHBondContact O-CA 3.35Å; P548-L551 PolarHBondContact O-N 3.31Å; L551-K553 PolarHBondContact O-N 3.07Å; L551-K554 HydrophobicContact CD2-CD 4.17Å; L551-K554 VanDerWaalsContact O-CB 3.27Å; L551-K554 WeakPolarHBondContact O-CB 3.44Å; L551-K554 WeakPolarHBondContact O-CG 3.37Å; L551-K554 PolarHBondContact O-N 3.29Å; L551-K554 VanDerWaalsContact O-N 3.09Å; L551-L559 HydrophobicContact CD1-CD1 4.24Å; L551-L559 HydrophobicContact CD2-CD1 4.41Å; L551-L559 HydrophobicContact CD2-CD2 4.22Å; L551-V563 HydrophobicContact CD2-CG1 3.78Å; L551-L564 HydrophobicContact CD1-CD2 4.09Å
552	A	87.4	Confident	86.1	Confident	40 Å²	40	61.7 Å²	61.7	33%	0.331	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	138.2	177	0	0	0	0	0	112.9	C545 P548 K554	C545-A552 CarbonylContact O-C 3.23Å; C545-A552 VanDerWaalsContact O-CA 3.3Å; C545-A552 WeakPolarHBondContact O-CA 3.5Å; P548-A552 PolarHBondContact O-N 3.45Å; P548-A552 VanDerWaalsContact O-N 3.16Å; A552-K554 PolarHBondContact O-N 3.25Å
553	K	84.9	Confident	86.2	Confident	144 Å²	144	63 Å²	63	63%	0.626	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	21.8	-174.9	-52.2	-169.7	-178.1	-173.2	0	115.3	D41 C545 L551	D41-K553 VanDerWaalsContact OD1-CE 3.25Å; D41-K553 WeakPolarHBondContact OD1-CE 3.34Å; D41-K553 IonicContact OD1-NZ 2.92Å; D41-K553 PolarHBondContact OD1-NZ 2.91Å; C545-K553 PolarHBondContact O-N 2.87Å; L551-K553 PolarHBondContact O-N 3.07Å
554	K	85.9	Confident	86.1	Confident	92 Å²	92	63.1 Å²	63.1	40%	0.4	34%	0.342	S	S	.	.			trans	-101.5	142.1	167.5	-60.2	177.8	-173.6	158.7	0	110.7	F544 C545 H550 L551 A552 L559	F544-K554 WeakPolarHBondContact CA-O 3.44Å; C545-K554 WeakPolarHBondContact CB-O 3.48Å; C545-K554 PolarHBondContact N-O 3.05Å; C545-K554 PolarHBondContact SG-O 2.98Å; C545-K554 VanDerWaalsContact SG-O 3.36Å; H550-K554 PolarHBondContact O-NZ 3.09Å; L551-K554 HydrophobicContact CD2-CD 4.17Å; L551-K554 VanDerWaalsContact O-CB 3.27Å; L551-K554 WeakPolarHBondContact O-CB 3.44Å; L551-K554 WeakPolarHBondContact O-CG 3.37Å; L551-K554 PolarHBondContact O-N 3.29Å; L551-K554 VanDerWaalsContact O-N 3.09Å; A552-K554 PolarHBondContact O-N 3.25Å; K554-L559 HydrophobicContact CB-CD2 4.27Å; K554-L559 HydrophobicContact CD-CD2 4.01Å
555	E	88.4	Confident	85.9	Confident	48 Å²	48	59 Å²	59	22%	0.224	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-71	122.5	174.7	-176.8	-153.1	-173.2	0	0	110.6	D542 I543 F544 K557 S558	D542-E555 HydrophobicContact CB-CG 4.44Å; I543-E555 CarbonylContact O-C 3.49Å; I543-E555 WeakPolarHBondContact O-CA 3.22Å; F544-E555 HydrophobicContact CD1-CB 4.4Å; F544-E555 HydrophobicContact CE1-CB 4.22Å; E555-K557 VanDerWaalsContact C-N 3.27Å; E555-K557 HydrophobicContact CG-CB 4.08Å; E555-K557 PolarHBondContact O-N 3.16Å; E555-K557 WeakPolarHBondContact OE1-CB 3.33Å; E555-K557 WeakPolarHBondContact OE1-CD 3.36Å; E555-K557 IonicContact OE1-NZ 2.62Å; E555-S558 PolarHBondContact O-N 3.13Å; E555-S558 VanDerWaalsContact O-N 3.1Å; E555-S558 PolarHBondContact O-OG 3.29Å; E555-S558 WeakPolarHBondContact OE2-CB 3.06Å
556	L	88.1	Confident	85.1	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-55.8	-38.1	-176.6	175.2	59.8	0	0	0	113.2	L527 Q528 I531 I543 S558 L559 L564	L527-L556 HydrophobicContact CB-CD2 4.48Å; L527-L556 HydrophobicContact CD2-CD2 3.98Å; L527-L556 HydrophobicContact CG-CD2 4.12Å; Q528-L556 HydrophobicContact CB-CD1 4.1Å; Q528-L556 HydrophobicContact CB-CG 4.25Å; I531-L556 HydrophobicContact CD1-CD2 3.9Å; I531-L556 HydrophobicContact CD1-CG 4.42Å; I543-L556 HydrophobicContact CB-CB 4.45Å; I543-L556 HydrophobicContact CG2-CB 3.99Å; I543-L556 HydrophobicContact CG2-CD2 3.92Å; I543-L556 WeakPolarHBondContact O-CB 3.25Å; I543-L556 PolarHBondContact O-N 2.89Å; L556-S558 VanDerWaalsContact C-N 3.31Å; L556-S558 PolarHBondContact O-N 3.21Å; L556-L559 PolarHBondContact O-N 3.44Å; L556-L564 HydrophobicContact CD1-CD1 3.79Å; L556-L564 HydrophobicContact CD1-CD2 3.99Å
557	K	84.6	Confident	83.7	Confident	92 Å²	92	60.1 Å²	60.1	40%	0.4	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-63.3	-32.5	179.5	-174.1	-162.7	-151.8	167.8	0	112.9	I531 Q532 D542 E555	I531-K557 HydrophobicContact CG2-CB 4.14Å; I531-K557 HydrophobicContact CG2-CD 4.36Å; I531-K557 HydrophobicContact CG2-CG 3.9Å; Q532-K557 PolarHBondContact NE2-O 3.33Å; D542-K557 IonicContact OD1-NZ 2.77Å; E555-K557 VanDerWaalsContact C-N 3.27Å; E555-K557 HydrophobicContact CG-CB 4.08Å; E555-K557 PolarHBondContact O-N 3.16Å; E555-K557 WeakPolarHBondContact OE1-CB 3.33Å; E555-K557 WeakPolarHBondContact OE1-CD 3.36Å; E555-K557 IonicContact OE1-NZ 2.62Å
558	S	83.9	Confident	82.2	Confident	75 Å²	75	62.2 Å²	62.2	52%	0.524	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-79.6	-19.9	178.6	75.2	0	0	0	0	114.1	E555 L556	E555-S558 PolarHBondContact O-N 3.13Å; E555-S558 VanDerWaalsContact O-N 3.1Å; E555-S558 PolarHBondContact O-OG 3.29Å; E555-S558 WeakPolarHBondContact OE2-CB 3.06Å; L556-S558 VanDerWaalsContact C-N 3.31Å; L556-S558 PolarHBondContact O-N 3.21Å
559	L	84.4	Confident	80.4	Confident	15 Å²	15	67.3 Å²	67.3	8%	0.079	39%	0.39	C	S	.	.	S	Bend	trans	-74	153.4	179.8	-63	175.9	0	0	0	110.7	Q528 L551 K554 L556 L564	Q528-L559 PolarHBondContact NE2-O 3.48Å; L551-L559 HydrophobicContact CD1-CD1 4.24Å; L551-L559 HydrophobicContact CD2-CD1 4.41Å; L551-L559 HydrophobicContact CD2-CD2 4.22Å; K554-L559 HydrophobicContact CB-CD2 4.27Å; K554-L559 HydrophobicContact CD-CD2 4.01Å; L556-L559 PolarHBondContact O-N 3.44Å; L559-L564 HydrophobicContact CB-CD2 4.3Å; L559-L564 HydrophobicContact CB-CG 4.37Å; L559-L564 HydrophobicContact CD1-CD2 3.65Å
560	N	82.9	Confident	78.2	Confident	108 Å²	108	71.2 Å²	71.2	58%	0.578	39%	0.394	S	S	*	.			trans	-92.4	145.9	169.8	-76.2	-31.3	0	0	0	110.3	Q528 D562 V563 L564	Q528-N560 VanDerWaalsContact NE2-C 3.29Å; N560-D562 PolarHBondContact O-N 2.91Å; N560-D562 VanDerWaalsContact O-N 3.11Å; N560-V563 HydrophobicContact CB-CG2 4.27Å; N560-V563 WeakPolarHBondContact O-CB 3.1Å; N560-V563 PolarHBondContact O-N 3.13Å; N560-L564 PolarHBondContact O-N 3.03Å
561	S	84.9	Confident	75.7	Confident	21 Å²	21	69.8 Å²	69.8	15%	0.147	40%	0.398	C	S	.	.	H	α-helix	trans	-57.9	-29	-178.1	-52.3	0	0	0	0	113.3	Q528 K529 V563 L564 C565	Q528-S561 VanDerWaalsContact NE2-N 3.15Å; Q528-S561 PolarHBondContact OE1-OG 2.92Å; K529-S561 WeakPolarHBondContact CE-OG 3.32Å; S561-V563 VanDerWaalsContact C-N 3.27Å; S561-V563 PolarHBondContact O-N 3.06Å; S561-L564 PolarHBondContact O-N 2.82Å; S561-C565 PolarHBondContact O-N 3Å
562	D	81.1	Confident	73.5	Confident	77 Å²	77	76 Å²	76	41%	0.412	44%	0.439	S	S	.	.	H	α-helix	trans	-71.2	-21.4	178.2	-46.1	-53	0	0	0	113.2	N560 C565 P566 I569	N560-D562 PolarHBondContact O-N 2.91Å; N560-D562 VanDerWaalsContact O-N 3.11Å; D562-C565 CarbonylContact O-C 3.59Å; D562-P566 WeakPolarHBondContact O-CA 3.06Å; D562-I569 HydrophobicContact CB-CD1 4.38Å; D562-I569 WeakPolarHBondContact OD1-CD1 3.02Å; D562-I569 WeakPolarHBondContact OD1-CG1 3.48Å
563	V	81.3	Confident	70.9	Confident	72 Å²	72	79.3 Å²	79.3	44%	0.436	46%	0.459	S	S	.	.	H	α-helix	trans	-83.4	-37.1	175.6	-180	0	0	0	0	110.5	L551 N560 S561	L551-V563 HydrophobicContact CD2-CG1 3.78Å; N560-V563 HydrophobicContact CB-CG2 4.27Å; N560-V563 WeakPolarHBondContact O-CB 3.1Å; N560-V563 PolarHBondContact O-N 3.13Å; S561-V563 VanDerWaalsContact C-N 3.27Å; S561-V563 PolarHBondContact O-N 3.06Å
564	L	82.8	Confident	68.4	Low	6 Å²	6	79.1 Å²	79.1	3%	0.031	46%	0.464	C	S	.	.	H	α-helix	trans	-70.7	-34.8	172.9	-61	174.7	0	0	0	112	C520 T521 C522 V525 Q528 L551 L556 L559 N560 S561	C520-L564 HydrophobicContact CB-CD2 3.67Å; C520-L564 WeakPolarHBondContact O-CD2 3.4Å; T521-L564 CarbonylContact C-O 3.56Å; T521-L564 VanDerWaalsContact C-O 3.26Å; C522-L564 PolarHBondContact N-O 2.87Å; V525-L564 HydrophobicContact CG2-CB 3.63Å; V525-L564 HydrophobicContact CG2-CD1 3.98Å; V525-L564 HydrophobicContact CG2-CG 4.47Å; Q528-L564 HydrophobicContact CB-CD1 4Å; Q528-L564 HydrophobicContact CG-CD1 4Å; L551-L564 HydrophobicContact CD1-CD2 4.09Å; L556-L564 HydrophobicContact CD1-CD1 3.79Å; L556-L564 HydrophobicContact CD1-CD2 3.99Å; L559-L564 HydrophobicContact CB-CD2 4.3Å; L559-L564 HydrophobicContact CB-CG 4.37Å; L559-L564 HydrophobicContact CD1-CD2 3.65Å; N560-L564 PolarHBondContact O-N 3.03Å; S561-L564 PolarHBondContact O-N 2.82Å
565	C	84.8	Confident	65.8	Low	17 Å²	17	80.8 Å²	80.8	12%	0.115	49%	0.485	C	S	.	.	S	Bend	trans	-142	80.2	-175.2	-158.7	0	0	0	0	112.3	C522 V525 S561 D562 G567 L568	C522-C565 HydrophobicContact CB-CB 3.82Å; C522-C565 WeakPolarHBondContact CB-SG 3.32Å; C522-C565 WeakPolarHBondContact SG-CA 3.32Å; C522-C565 WeakPolarHBondContact SG-CB 3.28Å; C522-C565 CovalentContact SG-SG 2.05Å; C522-C565 PolarHBondContact SG-SG 2.95Å; V525-C565 HydrophobicContact CG2-CB 3.94Å; S561-C565 PolarHBondContact O-N 3Å; D562-C565 CarbonylContact O-C 3.59Å; C565-G567 PolarHBondContact O-N 2.79Å; C565-L568 HydrophobicContact CB-CD1 3.82Å; C565-L568 HydrophobicContact CB-CG 4.21Å
566	P	73.9	Confident	63.2	Low	116 Å²	116	83.5 Å²	83.5	75%	0.753	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	88.3	-179.9	27.9	-35.2	0	0	0	111.6	D562	D562-P566 WeakPolarHBondContact O-CA 3.06Å
567	G	63.6	Low	60.4	Low	57 Å²	57	92.1 Å²	92.1	59%	0.588	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	166.6	-15.4	179.1	0	0	0	0	0	115.7	C565 I569	C565-G567 PolarHBondContact O-N 2.79Å; G567-I569 VanDerWaalsContact C-N 3.26Å; G567-I569 PolarHBondContact O-N 2.88Å
568	L	57.6	Low	57.9	Low	94 Å²	94	92.3 Å²	92.3	49%	0.492	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.1	-17.2	-174.3	-76.1	171.4	0	0	0	115.6	V525 C565 N570	V525-L568 HydrophobicContact CG1-CD1 4.31Å; C565-L568 HydrophobicContact CB-CD1 3.82Å; C565-L568 HydrophobicContact CB-CG 4.21Å; L568-N570 PolarHBondContact O-N 3.49Å; L568-N570 VanDerWaalsContact O-N 3.14Å
569	I	49.5	Very low	55.3	Low	134 Å²	134	93.5 Å²	93.5	69%	0.687	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	28	-176	-32	168.3	0	0	0	113.1	D562 G567	D562-I569 HydrophobicContact CB-CD1 4.38Å; D562-I569 WeakPolarHBondContact OD1-CD1 3.02Å; D562-I569 WeakPolarHBondContact OD1-CG1 3.48Å; G567-I569 VanDerWaalsContact C-N 3.26Å; G567-I569 PolarHBondContact O-N 2.88Å
570	N	40.3	Very low	52.7	Low	154 Å²	154	102.5 Å²	102.5	82%	0.824	61%	0.611	S	S	*	*			trans	-118.9	36.3	-179.9	-96.8	-21.3	0	0	0	114	L568	L568-N570 PolarHBondContact O-N 3.49Å; L568-N570 VanDerWaalsContact O-N 3.14Å
571	S	31.7	Very low	50	Low	100 Å²	100	103.8 Å²	103.8	70%	0.699	62%	0.622	S	S	*	*			trans	-145.3	102.3	162.3	49.6	0	0	0	0	112.2
572	P	40.8	Very low	47.3	Very low	134 Å²	134	108.6 Å²	108.6	87%	0.87	65%	0.65	S	S	*	*			trans	-64.1	144.2	169.4	-20.9	33.7	0	0	0	111.7
573	S	34.6	Very low	44.6	Very low	108 Å²	108	110.6 Å²	110.6	76%	0.755	67%	0.665	S	S	*	*			trans	-79.7	128.6	-173.1	56.4	0	0	0	0	114.4
574	L	31	Very low	41.9	Very low	140 Å²	140	113.2 Å²	113.2	73%	0.733	68%	0.682	S	S	*	*			trans	61.5	149.9	159.6	-92	68.6	0	0	0	117.3	T576	L574-T576 HydrophobicContact CD2-CG2 4.03Å
575	P	32.4	Very low	39.1	Very low	127 Å²	127	119 Å²	119	83%	0.825	72%	0.718	S	S	*	*				-113.5	151.9	87.9	-11.6	30.2	0	0	0	114.9
576	T	32.5	Very low	36.3	Very low	106 Å²	106	123.7 Å²	123.7	65%	0.65	75%	0.75	S	S	*	*			trans	-62.6	130.2	156.5	44.9	0	0	0	0	111	L574	L574-T576 HydrophobicContact CD2-CG2 4.03Å
577	H	29.7	Very low	34	Very low	181 Å²	181	122.7 Å²	122.7	84%	0.838	75%	0.746	S	S	*	*			trans	-162.4	125.1	130.8	-106.9	-70.2	0	0	0	110.2
578	A	33.3	Very low	32.2	Very low	96 Å²	96	125.8 Å²	125.8	79%	0.793	75%	0.753	S	S	*	*			trans	-86.1	120.1	170	0	0	0	0	0	109.3
579	S	27.9	Very low	30.7	Very low	101 Å²	101	126.6 Å²	126.6	71%	0.706	76%	0.763	S	S	*	*			trans	-144.2	103	173.3	54.6	0	0	0	0	110.1	V581	S579-V581 PolarHBondContact O-N 3.17Å
580	F	30.9	Very low	29.7	Very low	203 Å²	203	126 Å²	126	89%	0.89	77%	0.765	S	S	*	*			trans	-66.1	126.5	170.7	-78	-103	0	0	0	109.9
581	V	26.2	Very low	29.1	Very low	136 Å²	136	126 Å²	126	82%	0.824	77%	0.771	S	S	*	*			trans	-133.2	108.8	159.6	-177.7	0	0	0	0	108.6	S579	S579-V581 PolarHBondContact O-N 3.17Å
582	V	27	Very low	28.9	Very low	121 Å²	121	126 Å²	126	73%	0.733	78%	0.778	S	S	*	*			trans	-88.9	144.1	159.7	-179.9	0	0	0	0	107
583	V	24.7	Very low	28.2	Very low	120 Å²	120	124.4 Å²	124.4	73%	0.727	78%	0.775	S	S	*	*			trans	162.8	120.1	137.1	156	0	0	0	0	112.1
584	T	24.4	Very low	27.9	Very low	127 Å²	127	126.1 Å²	126.1	78%	0.779	78%	0.776	S	S	*	*			trans	36.6	137.5	156	62.6	0	0	0	0	123.9
585	T	25.4	Very low	27.7	Very low	128 Å²	128	125 Å²	125	79%	0.785	78%	0.775	S	S	*	*			trans	-69.5	178.6	161.8	49.9	0	0	0	0	115
586	S	25.1	Very low	27.5	Very low	114 Å²	114	126.8 Å²	126.8	80%	0.797	78%	0.776	S	S	*	*			trans	85.3	139.6	169.1	78.3	0	0	0	0	115.9
587	S	25	Very low	27.3	Very low	95 Å²	95	128.7 Å²	128.7	66%	0.664	78%	0.781	S	S	*	*			cis	-163.1	154.7	-6.4	41.8	0	0	0	0	113.2
588	T	25.9	Very low	27.3	Very low	122 Å²	122	131.3 Å²	131.3	75%	0.748	78%	0.784	S	S	*	*			trans	64.6	152.4	151.4	46.6	0	0	0	0	118.6
589	T	26.8	Very low	26.9	Very low	112 Å²	112	131.7 Å²	131.7	69%	0.687	78%	0.781	S	S	*	*			cis	-150.3	138.2	6.4	-5.9	0	0	0	0	112.3
590	T	28.8	Very low	27.1	Very low	121 Å²	121	133.2 Å²	133.2	74%	0.742	78%	0.78	S	S	*	*			trans	26.1	128	143.4	58	0	0	0	0	122.2
591	T	27.8	Very low	27.8	Very low	154 Å²	154	130.4 Å²	130.4	95%	0.945	78%	0.78	S	S	*	*				-140.9	150.6	108.3	15.2	0	0	0	0	109.1
592	A	26.3	Very low	28.1	Very low	101 Å²	101	130.1 Å²	130.1	84%	0.835	77%	0.774	S	S	*	*			trans	-117	145.7	-170.5	0	0	0	0	0	112.5
593	A	25.6	Very low	29	Very low	99 Å²	99	128.3 Å²	128.3	82%	0.818	77%	0.771	S	S	*	*			trans	-144.9	92.4	167.5	0	0	0	0	0	109.6
594	D	28.8	Very low	30.2	Very low	145 Å²	145	127.1 Å²	127.1	78%	0.775	76%	0.764	S	S	*	*			trans	35.9	82.6	156.9	-58.7	-38.8	0	0	0	121.2	I596	D594-I596 PolarHBondContact O-N 2.84Å
595	T	28	Very low	31.5	Very low	117 Å²	117	124.9 Å²	124.9	72%	0.718	75%	0.752	S	S	*	*				42.7	71.3	101	-39.7	0	0	0	0	118.3
596	I	27.6	Very low	32.9	Very low	164 Å²	164	125.3 Å²	125.3	84%	0.841	75%	0.749	S	S	*	*	S	Bend	trans	-128.3	48.6	145.5	-41.2	-179	0	0	0	111	D594	D594-I596 PolarHBondContact O-N 2.84Å
597	L	29.1	Very low	34.7	Very low	145 Å²	145	124.3 Å²	124.3	76%	0.759	74%	0.741	S	S	*	*	S	Bend	trans	-156.2	136.5	155.6	-142.6	76.8	0	0	0	111.2
598	R	29.7	Very low	36.6	Very low	237 Å²	237	121.4 Å²	121.4	89%	0.894	73%	0.727	S	S	*	*			trans	64.9	91.9	171.1	-62.6	-179.7	175.9	154.6	-0.4	117.7
599	S	25	Very low	38.6	Very low	104 Å²	104	119.7 Å²	119.7	73%	0.727	71%	0.713	S	S	*	*			trans	-151.7	124.7	147.8	175.2	0	0	0	0	106.1
600	L	30.8	Very low	40.9	Very low	132 Å²	132	119.1 Å²	119.1	69%	0.691	70%	0.704	S	S	*	*			cis	-141.4	144.1	-1.2	-105	156.5	0	0	0	109.1	D602	L600-D602 HydrophobicContact CB-CB 4.3Å; L600-D602 HydrophobicContact CD2-CB 4.32Å
601	T	45.6	Very low	42.9	Very low	144 Å²	144	118.3 Å²	118.3	88%	0.883	70%	0.695	S	S	*	*			trans	-82.4	104.1	147.2	45.9	0	0	0	0	106.8
602	D	33.6	Very low	45.2	Very low	131 Å²	131	112.5 Å²	112.5	70%	0.701	67%	0.666	S	S	*	*			trans	-145.2	165.3	170.5	-140.7	-28.5	0	0	0	111.8	L600 V604	L600-D602 HydrophobicContact CB-CB 4.3Å; L600-D602 HydrophobicContact CD2-CB 4.32Å; D602-V604 PolarHBondContact O-N 2.04Å
603	A	45.4	Very low	47.6	Very low	82 Å²	82	112.8 Å²	112.8	68%	0.678	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-53.3	123.2	-160	0	0	0	0	0	115	P605	A603-P605 WeakPolarHBondContact O-CD 3.3Å
604	V	50.6	Low	50.3	Low	96 Å²	96	112.4 Å²	112.4	58%	0.582	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-63	121.7	158.8	-178.9	0	0	0	0	107.4	D602 L606 L609	D602-V604 PolarHBondContact O-N 2.04Å; V604-L606 PolarHBondContact O-N 3.2Å; V604-L609 HydrophobicContact CB-CD1 4.38Å; V604-L609 HydrophobicContact CG1-CB 4Å; V604-L609 HydrophobicContact CG1-CD1 4.32Å; V604-L609 HydrophobicContact CG1-CG 4.49Å
605	P	50.8	Low	52.8	Low	80 Å²	80	109.9 Å²	109.9	52%	0.519	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-64.3	139.2	-179.1	26.3	-34.2	0	0	0	110	A603 S607 G608 L609	A603-P605 WeakPolarHBondContact O-CD 3.3Å; P605-S607 PolarHBondContact O-N 3.11Å; P605-S607 VanDerWaalsContact O-N 3.08Å; P605-G608 WeakPolarHBondContact O-CA 3.26Å; P605-G608 PolarHBondContact O-N 3.04Å; P605-L609 PolarHBondContact O-N 3.16Å
606	L	54.8	Low	55.4	Low	137 Å²	137	107.9 Å²	107.9	72%	0.717	61%	0.609	S	S	*	*	H	α-helix	trans	-53.6	-33	-178.6	-100.8	142.8	0	0	0	113	V604 L609 I610	V604-L606 PolarHBondContact O-N 3.2Å; L606-L609 PolarHBondContact O-N 3.11Å; L606-I610 HydrophobicContact CD2-CD1 4.28Å; L606-I610 VanDerWaalsContact O-CB 3.27Å; L606-I610 WeakPolarHBondContact O-CB 3.17Å; L606-I610 WeakPolarHBondContact O-CD1 3.48Å; L606-I610 WeakPolarHBondContact O-CG1 3.26Å; L606-I610 PolarHBondContact O-N 2.79Å
607	S	63.5	Low	58.1	Low	92 Å²	92	106.5 Å²	106.5	64%	0.643	60%	0.597	S	S	*	*	H	α-helix	trans	-61.3	-43	172.1	50.2	0	0	0	0	113.1	P605 L611	P605-S607 PolarHBondContact O-N 3.11Å; P605-S607 VanDerWaalsContact O-N 3.08Å; S607-L611 VanDerWaalsContact O-CB 3.31Å; S607-L611 WeakPolarHBondContact O-CB 3.36Å; S607-L611 PolarHBondContact O-N 2.68Å
608	G	64.2	Low	60.7	Low	35 Å²	35	103.2 Å²	103.2	36%	0.361	58%	0.58	S	S	.	*	H	α-helix	trans	-72.1	-36.8	176.2	0	0	0	0	0	112.9	P605 L611 G612	P605-G608 WeakPolarHBondContact O-CA 3.26Å; P605-G608 PolarHBondContact O-N 3.04Å; G608-L611 PolarHBondContact O-N 3.38Å; G608-G612 PolarHBondContact O-N 2.92Å
609	L	67.1	Low	63.1	Low	86 Å²	86	95.4 Å²	95.4	45%	0.45	56%	0.558	S	S	.	*	H	α-helix	trans	-71.6	-39.2	177.5	-155.3	153.3	0	0	0	111.4	V604 P605 L606 G612 L613	V604-L609 HydrophobicContact CB-CD1 4.38Å; V604-L609 HydrophobicContact CG1-CB 4Å; V604-L609 HydrophobicContact CG1-CD1 4.32Å; V604-L609 HydrophobicContact CG1-CG 4.49Å; P605-L609 PolarHBondContact O-N 3.16Å; L606-L609 PolarHBondContact O-N 3.11Å; L609-G612 PolarHBondContact O-N 3.36Å; L609-L613 HydrophobicContact CD2-CD1 3.6Å; L609-L613 HydrophobicContact CD2-CG 4Å; L609-L613 WeakPolarHBondContact O-CB 3.49Å; L609-L613 WeakPolarHBondContact O-CG 3.25Å; L609-L613 PolarHBondContact O-N 2.8Å
610	I	74.9	Confident	66.1	Low	99 Å²	99	95.3 Å²	95.3	51%	0.508	55%	0.549	S	S	.	.	H	α-helix	trans	-64.3	-44.8	170.8	-69.7	164.7	0	0	0	110.6	L606 G612 L613 L614	L606-I610 HydrophobicContact CD2-CD1 4.28Å; L606-I610 VanDerWaalsContact O-CB 3.27Å; L606-I610 WeakPolarHBondContact O-CB 3.17Å; L606-I610 WeakPolarHBondContact O-CD1 3.48Å; L606-I610 WeakPolarHBondContact O-CG1 3.26Å; L606-I610 PolarHBondContact O-N 2.79Å; I610-G612 VanDerWaalsContact C-N 3.33Å; I610-G612 PolarHBondContact O-N 3.31Å; I610-L613 PolarHBondContact O-N 3.41Å; I610-L614 WeakPolarHBondContact O-CB 3.42Å; I610-L614 PolarHBondContact O-N 2.92Å
611	L	71.1	Confident	68.8	Low	105 Å²	105	92.3 Å²	92.3	55%	0.55	54%	0.536	S	S	.	.	H	α-helix	trans	-63.2	-40.3	177.1	-162	76.7	0	0	0	111.4	S607 G608 L614 I615	S607-L611 VanDerWaalsContact O-CB 3.31Å; S607-L611 WeakPolarHBondContact O-CB 3.36Å; S607-L611 PolarHBondContact O-N 2.68Å; G608-L611 PolarHBondContact O-N 3.38Å; L611-L614 PolarHBondContact O-N 3.23Å; L611-I615 HydrophobicContact CG-CD1 4.19Å; L611-I615 WeakPolarHBondContact O-CB 2.94Å; L611-I615 VanDerWaalsContact O-CG1 3.25Å; L611-I615 WeakPolarHBondContact O-CG1 3.02Å; L611-I615 PolarHBondContact O-N 3.07Å
612	G	75.9	Confident	70.6	Confident	32 Å²	32	92.7 Å²	92.7	33%	0.33	53%	0.525	S	S	.	.	H	α-helix	trans	-62.4	-49.6	174.2	0	0	0	0	0	112.6	G608 L609 I610 L614 I615 V616	G608-G612 PolarHBondContact O-N 2.92Å; L609-G612 PolarHBondContact O-N 3.36Å; I610-G612 VanDerWaalsContact C-N 3.33Å; I610-G612 PolarHBondContact O-N 3.31Å; G612-L614 VanDerWaalsContact C-N 3.29Å; G612-L614 PolarHBondContact O-N 3.45Å; G612-I615 PolarHBondContact O-N 3.38Å; G612-V616 WeakPolarHBondContact O-CB 3.44Å; G612-V616 WeakPolarHBondContact O-CG2 3.32Å; G612-V616 PolarHBondContact O-N 3.39Å
613	L	77.8	Confident	72.8	Confident	107 Å²	107	90.2 Å²	90.2	56%	0.56	52%	0.517	S	S	*	.	H	α-helix	trans	-63	-34.2	174.9	-75.9	177	0	0	0	112.5	L609 I610 V616 F617	L609-L613 HydrophobicContact CD2-CD1 3.6Å; L609-L613 HydrophobicContact CD2-CG 4Å; L609-L613 WeakPolarHBondContact O-CB 3.49Å; L609-L613 WeakPolarHBondContact O-CG 3.25Å; L609-L613 PolarHBondContact O-N 2.8Å; I610-L613 PolarHBondContact O-N 3.41Å; L613-V616 PolarHBondContact O-N 3.36Å; L613-F617 VanDerWaalsContact O-CB 3.23Å; L613-F617 WeakPolarHBondContact O-CB 3.49Å; L613-F617 PolarHBondContact O-N 2.84Å
614	L	81.7	Confident	74.5	Confident	90 Å²	90	88.6 Å²	88.6	47%	0.471	50%	0.504	S	S	.	.	H	α-helix	trans	-74.3	-35.2	177.7	-171.7	141.6	0	0	0	111.6	I610 L611 G612 I618	I610-L614 WeakPolarHBondContact O-CB 3.42Å; I610-L614 PolarHBondContact O-N 2.92Å; L611-L614 PolarHBondContact O-N 3.23Å; G612-L614 VanDerWaalsContact C-N 3.29Å; G612-L614 PolarHBondContact O-N 3.45Å; L614-I618 HydrophobicContact CD2-CD1 3.57Å; L614-I618 HydrophobicContact CD2-CG1 4.44Å; L614-I618 HydrophobicContact CG-CD1 4.34Å; L614-I618 VanDerWaalsContact O-CB 3.25Å; L614-I618 WeakPolarHBondContact O-CB 3.43Å; L614-I618 WeakPolarHBondContact O-CG1 3.45Å; L614-I618 PolarHBondContact O-N 3.03Å
615	I	82.3	Confident	76.1	Confident	93 Å²	93	86.2 Å²	86.2	48%	0.477	49%	0.494	S	S	.	.	H	α-helix	trans	-66.5	-44.7	168.6	-71.1	164.5	0	0	0	110.4	L611 G612 F617 I618 T619	L611-I615 HydrophobicContact CG-CD1 4.19Å; L611-I615 WeakPolarHBondContact O-CB 2.94Å; L611-I615 VanDerWaalsContact O-CG1 3.25Å; L611-I615 WeakPolarHBondContact O-CG1 3.02Å; L611-I615 PolarHBondContact O-N 3.07Å; G612-I615 PolarHBondContact O-N 3.38Å; I615-F617 PolarHBondContact O-N 3.08Å; I615-I618 PolarHBondContact O-N 3.34Å; I615-T619 HydrophobicContact CG2-CG2 4.41Å; I615-T619 WeakPolarHBondContact O-CB 3.49Å; I615-T619 WeakPolarHBondContact O-CG2 3.48Å; I615-T619 PolarHBondContact O-N 3.21Å; I615-T619 PolarHBondContact O-OG1 3.44Å; I615-T619 VanDerWaalsContact O-OG1 3.04Å
616	V	81.8	Confident	77.7	Confident	74 Å²	74	84 Å²	84	45%	0.448	49%	0.487	S	S	.	.	H	α-helix	trans	-60.7	-46.1	175.1	168.5	0	0	0	0	110.6	G612 L613 T619 I620	G612-V616 WeakPolarHBondContact O-CB 3.44Å; G612-V616 WeakPolarHBondContact O-CG2 3.32Å; G612-V616 PolarHBondContact O-N 3.39Å; L613-V616 PolarHBondContact O-N 3.36Å; V616-T619 WeakPolarHBondContact CA-OG1 3.35Å; V616-T619 PolarHBondContact O-N 2.96Å; V616-T619 PolarHBondContact O-OG1 3.29Å; V616-I620 HydrophobicContact CG1-CD1 3.68Å; V616-I620 HydrophobicContact CG1-CG1 4.4Å; V616-I620 WeakPolarHBondContact O-CB 3.34Å; V616-I620 VanDerWaalsContact O-CG1 3.27Å; V616-I620 WeakPolarHBondContact O-CG1 3.38Å; V616-I620 PolarHBondContact O-N 3.19Å
617	F	85	Confident	78.8	Confident	136 Å²	136	82.6 Å²	82.6	60%	0.596	48%	0.479	S	S	*	.	H	α-helix	trans	-62.6	-44.7	175.7	-175.2	-99.3	0	0	0	112.2	L613 I615 T619 I620 V621	L613-F617 VanDerWaalsContact O-CB 3.23Å; L613-F617 WeakPolarHBondContact O-CB 3.49Å; L613-F617 PolarHBondContact O-N 2.84Å; I615-F617 PolarHBondContact O-N 3.08Å; F617-T619 PolarHBondContact O-N 3.46Å; F617-I620 PolarHBondContact O-N 2.89Å; F617-V621 HydrophobicContact CD1-CG2 4.12Å; F617-V621 HydrophobicContact CE1-CG2 3.76Å; F617-V621 HydrophobicContact CE2-CG2 4.35Å; F617-V621 HydrophobicContact CZ-CG2 3.9Å; F617-V621 WeakPolarHBondContact O-CB 3.46Å; F617-V621 VanDerWaalsContact O-CG2 3.3Å; F617-V621 WeakPolarHBondContact O-CG2 3.33Å; F617-V621 PolarHBondContact O-N 2.99Å
618	I	83.1	Confident	79.7	Confident	76 Å²	76	82.2 Å²	82.2	39%	0.39	47%	0.472	S	S	.	.	H	α-helix	trans	-62.7	-42.5	175.6	-76.3	175.4	0	0	0	111.2	L614 I615 V621 F622	L614-I618 HydrophobicContact CD2-CD1 3.57Å; L614-I618 HydrophobicContact CD2-CG1 4.44Å; L614-I618 HydrophobicContact CG-CD1 4.34Å; L614-I618 VanDerWaalsContact O-CB 3.25Å; L614-I618 WeakPolarHBondContact O-CB 3.43Å; L614-I618 WeakPolarHBondContact O-CG1 3.45Å; L614-I618 PolarHBondContact O-N 3.03Å; I615-I618 PolarHBondContact O-N 3.34Å; I618-V621 PolarHBondContact O-N 3.01Å; I618-F622 HydrophobicContact CG2-CD2 3.58Å; I618-F622 HydrophobicContact CG2-CE2 3.7Å; I618-F622 WeakPolarHBondContact O-CB 3.46Å; I618-F622 VanDerWaalsContact O-CD2 3.31Å; I618-F622 WeakPolarHBondContact O-CD2 3.41Å; I618-F622 PolarHBondContact O-N 3.14Å
619	T	81.1	Confident	80.7	Confident	72 Å²	72	85.1 Å²	85.1	44%	0.442	48%	0.483	S	S	.	.	H	α-helix	trans	-68.7	-35.7	175.9	57.3	0	0	0	0	112.5	I615 V616 F617 F622 C623	I615-T619 HydrophobicContact CG2-CG2 4.41Å; I615-T619 WeakPolarHBondContact O-CB 3.49Å; I615-T619 WeakPolarHBondContact O-CG2 3.48Å; I615-T619 PolarHBondContact O-N 3.21Å; I615-T619 PolarHBondContact O-OG1 3.44Å; I615-T619 VanDerWaalsContact O-OG1 3.04Å; V616-T619 WeakPolarHBondContact CA-OG1 3.35Å; V616-T619 PolarHBondContact O-N 2.96Å; V616-T619 PolarHBondContact O-OG1 3.29Å; F617-T619 PolarHBondContact O-N 3.46Å; T619-F622 PolarHBondContact O-N 2.04Å; T619-C623 VanDerWaalsContact O-CB 3.22Å; T619-C623 WeakPolarHBondContact O-CB 3.41Å; T619-C623 PolarHBondContact O-N 3.23Å; T619-C623 PolarHBondContact O-SG 3.33Å
620	I	86.1	Confident	81.1	Confident	102 Å²	102	85.9 Å²	85.9	52%	0.523	49%	0.487	S	S	.	.	H	α-helix	trans	-65.2	-42.1	171.4	-72.1	168.6	0	0	0	110.4	V616 F617 C623 A624	V616-I620 HydrophobicContact CG1-CD1 3.68Å; V616-I620 HydrophobicContact CG1-CG1 4.4Å; V616-I620 WeakPolarHBondContact O-CB 3.34Å; V616-I620 VanDerWaalsContact O-CG1 3.27Å; V616-I620 WeakPolarHBondContact O-CG1 3.38Å; V616-I620 PolarHBondContact O-N 3.19Å; F617-I620 PolarHBondContact O-N 2.89Å; I620-C623 PolarHBondContact O-N 3.08Å; I620-A624 WeakPolarHBondContact O-CB 3.42Å; I620-A624 PolarHBondContact O-N 3.4Å
621	V	87.7	Confident	81.3	Confident	69 Å²	69	84.2 Å²	84.2	42%	0.418	48%	0.481	S	S	.	.	H	α-helix	trans	-66.4	-40.7	176	168.6	0	0	0	0	111.4	F617 I618 A624 A625	F617-V621 HydrophobicContact CD1-CG2 4.12Å; F617-V621 HydrophobicContact CE1-CG2 3.76Å; F617-V621 HydrophobicContact CE2-CG2 4.35Å; F617-V621 HydrophobicContact CZ-CG2 3.9Å; F617-V621 WeakPolarHBondContact O-CB 3.46Å; F617-V621 VanDerWaalsContact O-CG2 3.3Å; F617-V621 WeakPolarHBondContact O-CG2 3.33Å; F617-V621 PolarHBondContact O-N 2.99Å; I618-V621 PolarHBondContact O-N 3.01Å; V621-A624 PolarHBondContact O-N 3.43Å; V621-A625 WeakPolarHBondContact O-CB 3.49Å; V621-A625 PolarHBondContact O-N 2.8Å
622	F	83.9	Confident	81.4	Confident	152 Å²	152	83.9 Å²	83.9	67%	0.667	48%	0.479	S	S	*	.	H	α-helix	trans	-71.6	-30.7	173.6	-83.8	-63.5	0	0	0	113.2	I618 T619 G626	I618-F622 HydrophobicContact CG2-CD2 3.58Å; I618-F622 HydrophobicContact CG2-CE2 3.7Å; I618-F622 WeakPolarHBondContact O-CB 3.46Å; I618-F622 VanDerWaalsContact O-CD2 3.31Å; I618-F622 WeakPolarHBondContact O-CD2 3.41Å; I618-F622 PolarHBondContact O-N 3.14Å; T619-F622 PolarHBondContact O-N 2.04Å; F622-G626 WeakPolarHBondContact O-CA 3.22Å; F622-G626 PolarHBondContact O-N 3.2Å
623	C	80.3	Confident	81.2	Confident	79 Å²	79	86.9 Å²	86.9	53%	0.534	48%	0.484	S	S	.	.	H	α-helix	trans	-71.8	-40.7	171.4	-71.3	0	0	0	0	111.2	T619 I620 G626 I627	T619-C623 VanDerWaalsContact O-CB 3.22Å; T619-C623 WeakPolarHBondContact O-CB 3.41Å; T619-C623 PolarHBondContact O-N 3.23Å; T619-C623 PolarHBondContact O-SG 3.33Å; I620-C623 PolarHBondContact O-N 3.08Å; C623-G626 CarbonylContact O-C 3.59Å; C623-G626 PolarHBondContact O-N 3.18Å; C623-I627 WeakPolarHBondContact O-CB 3.27Å; C623-I627 WeakPolarHBondContact O-CD1 3.43Å; C623-I627 WeakPolarHBondContact O-CG1 3.4Å; C623-I627 PolarHBondContact O-N 3.44Å
624	A	81.3	Confident	80.4	Confident	48 Å²	48	90 Å²	90	40%	0.397	49%	0.489	S	S	.	.	H	α-helix	trans	-68.1	-45.2	175.7	0	0	0	0	0	111.4	I620 V621 G626 I627 V628	I620-A624 WeakPolarHBondContact O-CB 3.42Å; I620-A624 PolarHBondContact O-N 3.4Å; V621-A624 PolarHBondContact O-N 3.43Å; A624-G626 VanDerWaalsContact C-N 3.32Å; A624-G626 PolarHBondContact O-N 3.47Å; A624-I627 PolarHBondContact O-N 2.95Å; A624-V628 WeakPolarHBondContact O-CB 3.44Å; A624-V628 VanDerWaalsContact O-CG2 3.28Å; A624-V628 WeakPolarHBondContact O-CG2 3.18Å; A624-V628 PolarHBondContact O-N 2.87Å
625	A	83.3	Confident	79.3	Confident	46 Å²	46	94.2 Å²	94.2	38%	0.38	50%	0.498	S	S	.	.	H	α-helix	trans	-63.5	-38.6	171.7	0	0	0	0	0	111.4	V621 V628 V629	V621-A625 WeakPolarHBondContact O-CB 3.49Å; V621-A625 PolarHBondContact O-N 2.8Å; A625-V628 PolarHBondContact O-N 3.22Å; A625-V629 WeakPolarHBondContact O-CB 3.36Å; A625-V629 VanDerWaalsContact O-CG2 3.27Å; A625-V629 WeakPolarHBondContact O-CG2 3.48Å; A625-V629 PolarHBondContact O-N 3.26Å
626	G	84.9	Confident	78.2	Confident	35 Å²	35	99.3 Å²	99.3	36%	0.361	51%	0.512	S	S	.	.	H	α-helix	trans	-61.1	-47.8	172.9	0	0	0	0	0	112	F622 C623 A624 V629 L630	F622-G626 WeakPolarHBondContact O-CA 3.22Å; F622-G626 PolarHBondContact O-N 3.2Å; C623-G626 CarbonylContact O-C 3.59Å; C623-G626 PolarHBondContact O-N 3.18Å; A624-G626 VanDerWaalsContact C-N 3.32Å; A624-G626 PolarHBondContact O-N 3.47Å; G626-V629 CarbonylContact O-C 3.59Å; G626-V629 PolarHBondContact O-N 2.93Å; G626-L630 WeakPolarHBondContact O-CB 3.25Å; G626-L630 PolarHBondContact O-N 3.14Å
627	I	79	Confident	76.9	Confident	107 Å²	107	103.7 Å²	103.7	55%	0.549	52%	0.52	S	S	.	.	H	α-helix	trans	-64	-41.8	174.6	-71.8	162.5	0	0	0	110.5	C623 A624 L630 V631	C623-I627 WeakPolarHBondContact O-CB 3.27Å; C623-I627 WeakPolarHBondContact O-CD1 3.43Å; C623-I627 WeakPolarHBondContact O-CG1 3.4Å; C623-I627 PolarHBondContact O-N 3.44Å; A624-I627 PolarHBondContact O-N 2.95Å; I627-L630 CarbonylContact O-C 3.53Å; I627-L630 PolarHBondContact O-N 2.83Å; I627-V631 HydrophobicContact CG2-CG2 4.23Å; I627-V631 VanDerWaalsContact O-CB 3.29Å; I627-V631 WeakPolarHBondContact O-CB 3.43Å; I627-V631 VanDerWaalsContact O-CG2 3.23Å; I627-V631 WeakPolarHBondContact O-CG2 3.23Å; I627-V631 PolarHBondContact O-N 2.97Å
628	V	81.5	Confident	75.2	Confident	84 Å²	84	100.8 Å²	100.8	51%	0.509	52%	0.516	S	S	.	.	H	α-helix	trans	-64.7	-41.4	175.4	167.2	0	0	0	0	110.9	A624 A625 V631 L632	A624-V628 WeakPolarHBondContact O-CB 3.44Å; A624-V628 VanDerWaalsContact O-CG2 3.28Å; A624-V628 WeakPolarHBondContact O-CG2 3.18Å; A624-V628 PolarHBondContact O-N 2.87Å; A625-V628 PolarHBondContact O-N 3.22Å; V628-V631 PolarHBondContact O-N 3.44Å; V628-L632 HydrophobicContact CG1-CD1 3.88Å; V628-L632 HydrophobicContact CG1-CG 4.37Å; V628-L632 VanDerWaalsContact O-CB 3.26Å; V628-L632 WeakPolarHBondContact O-CB 3.31Å; V628-L632 WeakPolarHBondContact O-CG 3.27Å; V628-L632 PolarHBondContact O-N 2.84Å
629	V	84.6	Confident	73.6	Confident	95 Å²	95	105.4 Å²	105.4	58%	0.576	53%	0.533	S	S	*	.	H	α-helix	trans	-65.4	-38.8	172.5	167.7	0	0	0	0	111	A625 G626 L632 H633	A625-V629 WeakPolarHBondContact O-CB 3.36Å; A625-V629 VanDerWaalsContact O-CG2 3.27Å; A625-V629 WeakPolarHBondContact O-CG2 3.48Å; A625-V629 PolarHBondContact O-N 3.26Å; G626-V629 CarbonylContact O-C 3.59Å; G626-V629 PolarHBondContact O-N 2.93Å; V629-L632 PolarHBondContact O-N 3.08Å; V629-H633 WeakPolarHBondContact O-CA 3.4Å; V629-H633 WeakPolarHBondContact O-CB 3.37Å; V629-H633 PolarHBondContact O-N 3.2Å
630	L	76.4	Confident	72	Confident	102 Å²	102	108.3 Å²	108.3	53%	0.534	54%	0.54	S	S	.	.	H	α-helix	trans	-70.9	-34.4	177.7	-155.7	162.6	0	0	0	111.2	G626 I627 R634	G626-L630 WeakPolarHBondContact O-CB 3.25Å; G626-L630 PolarHBondContact O-N 3.14Å; I627-L630 CarbonylContact O-C 3.53Å; I627-L630 PolarHBondContact O-N 2.83Å; L630-R634 HydrophobicContact CD2-CG 4.1Å; L630-R634 VanDerWaalsContact O-CB 3.31Å; L630-R634 WeakPolarHBondContact O-CB 3.31Å; L630-R634 WeakPolarHBondContact O-CG 3.21Å; L630-R634 PolarHBondContact O-N 3.44Å
631	V	78.4	Confident	69.9	Low	65 Å²	65	109.2 Å²	109.2	39%	0.394	54%	0.54	S	S	.	.	H	α-helix	trans	-73	-40.2	172.5	167	0	0	0	0	111.2	I627 V628 H633 R634 R635	I627-V631 HydrophobicContact CG2-CG2 4.23Å; I627-V631 VanDerWaalsContact O-CB 3.29Å; I627-V631 WeakPolarHBondContact O-CB 3.43Å; I627-V631 VanDerWaalsContact O-CG2 3.23Å; I627-V631 WeakPolarHBondContact O-CG2 3.23Å; I627-V631 PolarHBondContact O-N 2.97Å; V628-V631 PolarHBondContact O-N 3.44Å; V631-H633 VanDerWaalsContact C-N 3.34Å; V631-R634 PolarHBondContact O-N 3.31Å; V631-R635 VanDerWaalsContact O-CB 3.28Å; V631-R635 WeakPolarHBondContact O-CB 3.23Å; V631-R635 WeakPolarHBondContact O-CG 3.32Å; V631-R635 PolarHBondContact O-N 3.45Å
632	L	74	Confident	68	Low	98 Å²	98	113.5 Å²	113.5	51%	0.513	56%	0.555	S	S	.	*	H	α-helix	trans	-68	-34	172.3	-73.2	170.9	0	0	0	111.5	V628 V629 R636	V628-L632 HydrophobicContact CG1-CD1 3.88Å; V628-L632 HydrophobicContact CG1-CG 4.37Å; V628-L632 VanDerWaalsContact O-CB 3.26Å; V628-L632 WeakPolarHBondContact O-CB 3.31Å; V628-L632 WeakPolarHBondContact O-CG 3.27Å; V628-L632 PolarHBondContact O-N 2.84Å; V629-L632 PolarHBondContact O-N 3.08Å; L632-R636 WeakPolarHBondContact O-CB 3.34Å; L632-R636 WeakPolarHBondContact O-CG 3.16Å; L632-R636 PolarHBondContact O-N 2.92Å
633	H	70.5	Confident	65.9	Low	94 Å²	94	109.3 Å²	109.3	44%	0.435	55%	0.548	S	S	.	.	H	α-helix	trans	-76.2	-36.3	174.8	-173.2	-136	0	0	0	111.8	V629 V631 R636 R637	V629-H633 WeakPolarHBondContact O-CA 3.4Å; V629-H633 WeakPolarHBondContact O-CB 3.37Å; V629-H633 PolarHBondContact O-N 3.2Å; V631-H633 VanDerWaalsContact C-N 3.34Å; H633-R636 PolarHBondContact O-N 3.09Å; H633-R637 PolarHBondContact CE1-NE 3.5Å; H633-R637 VanDerWaalsContact CE1-NE 3.29Å; H633-R637 PolarHBondContact NE2-NE 3.33Å; H633-R637 WeakPolarHBondContact O-CB 3.38Å; H633-R637 WeakPolarHBondContact O-CG 3.28Å; H633-R637 PolarHBondContact O-N 3.04Å
634	R	61.6	Low	64.1	Low	172 Å²	172	110.4 Å²	110.4	65%	0.649	55%	0.549	S	S	*	.	H	α-helix	trans	-63.8	-45	166.9	-80.8	-179.3	81	167.4	3.4	110.6	L630 V631 R636 R637 C638	L630-R634 HydrophobicContact CD2-CG 4.1Å; L630-R634 VanDerWaalsContact O-CB 3.31Å; L630-R634 WeakPolarHBondContact O-CB 3.31Å; L630-R634 WeakPolarHBondContact O-CG 3.21Å; L630-R634 PolarHBondContact O-N 3.44Å; V631-R634 PolarHBondContact O-N 3.31Å; R634-R636 PolarHBondContact O-N 2.81Å; R634-R637 CarbonylContact O-C 3.55Å; R634-R637 PolarHBondContact O-N 3.31Å; R634-R637 VanDerWaalsContact O-N 3.15Å; R634-C638 PolarHBondContact O-N 3.49Å; R634-C638 PolarHBondContact O-SG 3.47Å
635	R	59.5	Low	61.9	Low	179 Å²	179	114.9 Å²	114.9	68%	0.675	56%	0.562	S	S	*	*	H	α-helix	trans	-63.6	-38.4	175	-77.6	-179.8	169.8	-170.9	-3.2	112.3	V631 K639	V631-R635 VanDerWaalsContact O-CB 3.28Å; V631-R635 WeakPolarHBondContact O-CB 3.23Å; V631-R635 WeakPolarHBondContact O-CG 3.32Å; V631-R635 PolarHBondContact O-N 3.45Å; R635-K639 WeakPolarHBondContact O-CB 3.47Å; R635-K639 WeakPolarHBondContact O-CG 3.29Å; R635-K639 PolarHBondContact O-N 2.82Å
636	R	59.3	Low	59.8	Low	201 Å²	201	120.8 Å²	120.8	76%	0.758	58%	0.581	S	S	*	*	H	α-helix	trans	-66.7	-38.4	170.2	-80.6	-177.5	173.1	-177.7	-1.3	112.4	L632 H633 R634 K640	L632-R636 WeakPolarHBondContact O-CB 3.34Å; L632-R636 WeakPolarHBondContact O-CG 3.16Å; L632-R636 PolarHBondContact O-N 2.92Å; H633-R636 PolarHBondContact O-N 3.09Å; R634-R636 PolarHBondContact O-N 2.81Å; R636-K640 WeakPolarHBondContact O-CB 3.21Å; R636-K640 PolarHBondContact O-N 3.3Å
637	R	52.6	Low	57.4	Low	166 Å²	166	127 Å²	127	63%	0.626	60%	0.603	S	S	*	*	H	α-helix	trans	-69.2	-37.3	174.6	-78.1	-176.8	176.7	-157.4	-4	112.6	H633 R634 K640 K641	H633-R637 PolarHBondContact CE1-NE 3.5Å; H633-R637 VanDerWaalsContact CE1-NE 3.29Å; H633-R637 PolarHBondContact NE2-NE 3.33Å; H633-R637 WeakPolarHBondContact O-CB 3.38Å; H633-R637 WeakPolarHBondContact O-CG 3.28Å; H633-R637 PolarHBondContact O-N 3.04Å; R634-R637 CarbonylContact O-C 3.55Å; R634-R637 PolarHBondContact O-N 3.31Å; R634-R637 VanDerWaalsContact O-N 3.15Å; R637-K640 PolarHBondContact O-N 2.79Å; R637-K641 PolarHBondContact O-N 2.85Å
638	C	49.8	Very low	55	Low	75 Å²	75	132.9 Å²	132.9	51%	0.507	62%	0.618	S	S	.	*	H	α-helix	trans	-67	-46.6	172.8	-63.7	0	0	0	0	111.2	R634 K640 K641 Q642	R634-C638 PolarHBondContact O-N 3.49Å; R634-C638 PolarHBondContact O-SG 3.47Å; C638-K640 PolarHBondContact O-N 2.77Å; C638-K641 PolarHBondContact O-N 3.4Å; C638-Q642 PolarHBondContact O-N 2.85Å
639	K	49.3	Very low	52.4	Low	172 Å²	172	136.8 Å²	136.8	75%	0.748	64%	0.637	S	S	*	*	H	α-helix	trans	-64.3	-17.6	172.8	-75.5	-162.8	171.7	-163.5	0	114	R635	R635-K639 WeakPolarHBondContact O-CB 3.47Å; R635-K639 WeakPolarHBondContact O-CG 3.29Å; R635-K639 PolarHBondContact O-N 2.82Å
640	K	47.4	Very low	49.8	Very low	134 Å²	134	137.5 Å²	137.5	58%	0.583	65%	0.646	S	S	*	*	H	α-helix	trans	-87.6	-40.6	170.3	-161.1	176.8	179.5	-174.1	0	112.5	R636 R637 C638 Q642 A643 D644	R636-K640 WeakPolarHBondContact O-CB 3.21Å; R636-K640 PolarHBondContact O-N 3.3Å; R637-K640 PolarHBondContact O-N 2.79Å; C638-K640 PolarHBondContact O-N 2.77Å; K640-Q642 PolarHBondContact O-N 3.45Å; K640-A643 CarbonylContact O-C 3.57Å; K640-A643 WeakPolarHBondContact O-CA 3.14Å; K640-A643 WeakPolarHBondContact O-CB 3.41Å; K640-A643 PolarHBondContact O-N 3.43Å; K640-D644 WeakPolarHBondContact CE-OD2 3.31Å; K640-D644 PolarHBondContact O-N 2.97Å
641	K	42.6	Very low	47.7	Very low	121 Å²	121	138.4 Å²	138.4	53%	0.526	66%	0.661	S	S	.	*	H	α-helix	trans	-60.5	-43.9	172.9	-105.9	-172.2	154.5	-88.5	0	112.3	R637 C638 A643 D644 E645	R637-K641 PolarHBondContact O-N 2.85Å; C638-K641 PolarHBondContact O-N 3.4Å; K641-A643 PolarHBondContact O-N 3.37Å; K641-A643 VanDerWaalsContact O-N 3.11Å; K641-D644 PolarHBondContact O-N 2.82Å; K641-E645 IonicContact NZ-OE1 2.74Å; K641-E645 PolarHBondContact NZ-OE1 2.73Å; K641-E645 IonicContact NZ-OE2 2.97Å; K641-E645 PolarHBondContact NZ-OE2 3.4Å; K641-E645 PolarHBondContact O-N 2.85Å
642	Q	47.5	Very low	45.9	Very low	159 Å²	159	140.7 Å²	140.7	74%	0.743	68%	0.677	S	S	*	*	H	α-helix	trans	-68.2	-2.7	171.9	-75.4	-177.1	-49.1	0	0	114.5	C638 K640	C638-Q642 PolarHBondContact O-N 2.85Å; K640-Q642 PolarHBondContact O-N 3.45Å
643	A	41.1	Very low	43.9	Very low	63 Å²	63	142.2 Å²	142.2	52%	0.521	69%	0.69	S	S	.	*	H	α-helix	trans	-105.5	-27.5	171.1	0	0	0	0	0	112.9	K640 K641	K640-A643 CarbonylContact O-C 3.57Å; K640-A643 WeakPolarHBondContact O-CA 3.14Å; K640-A643 WeakPolarHBondContact O-CB 3.41Å; K640-A643 PolarHBondContact O-N 3.43Å; K641-A643 PolarHBondContact O-N 3.37Å; K641-A643 VanDerWaalsContact O-N 3.11Å
644	D	41.3	Very low	41.8	Very low	103 Å²	103	144.9 Å²	144.9	55%	0.551	70%	0.702	S	S	*	*	H	α-helix	trans	-89	-30.4	178.8	-75.2	-45.6	0	0	0	113	K640 K641	K640-D644 WeakPolarHBondContact CE-OD2 3.31Å; K640-D644 PolarHBondContact O-N 2.97Å; K641-D644 PolarHBondContact O-N 2.82Å
645	E	36.2	Very low	40.2	Very low	141 Å²	141	142.6 Å²	142.6	66%	0.659	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	8.5	-178.7	-85.8	162.8	167.9	0	0	114.9	K641	K641-E645 IonicContact NZ-OE1 2.74Å; K641-E645 PolarHBondContact NZ-OE1 2.73Å; K641-E645 IonicContact NZ-OE2 2.97Å; K641-E645 PolarHBondContact NZ-OE2 3.4Å; K641-E645 PolarHBondContact O-N 2.85Å
646	Q	38.8	Very low	38.6	Very low	170 Å²	170	141.1 Å²	141.1	79%	0.794	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.3	13	171.5	-157.7	159.5	6.7	0	0	114.1
647	M	34.2	Very low	37.1	Very low	167 Å²	167	141.1 Å²	141.1	82%	0.823	71%	0.705	S	S	*	*	S	Bend	trans	-145.7	56.3	167	-83	-155.7	74.8	0	0	112.9
648	R	28.7	Very low	36.1	Very low	229 Å²	229	137.9 Å²	137.9	86%	0.864	71%	0.707	S	S	*	*	S	Bend	trans	-162.3	66.2	160.7	-115.5	170.2	-152.2	-128.5	4	114.3
649	D	26.6	Very low	35	Very low	166 Å²	166	141.5 Å²	141.5	89%	0.888	72%	0.719	S	S	*	*	S	Bend		-170.9	91.3	118.1	-97.5	-9.2	0	0	0	111.5
650	S	29.9	Very low	34.1	Very low	111 Å²	111	143.5 Å²	143.5	78%	0.776	72%	0.723	S	S	*	*	S	Bend	trans	-147.9	86.5	161.7	64.5	0	0	0	0	109.9
651	S	33.2	Very low	33.3	Very low	120 Å²	120	140.6 Å²	140.6	84%	0.839	73%	0.731	S	S	*	*			trans	69.6	147.8	161.8	-50	0	0	0	0	119.1
652	P	39.7	Very low	32.8	Very low	113 Å²	113	142.9 Å²	142.9	73%	0.734	74%	0.743	S	S	*	*			trans	-119.2	150.1	158.5	39.5	-29.6	0	0	0	112.8
653	V	32	Very low	32	Very low	131 Å²	131	143.6 Å²	143.6	79%	0.794	74%	0.744	S	S	*	*			trans	73.1	136.5	164.8	-147.2	0	0	0	0	114.2
654	H	26.4	Very low	31.5	Very low	150 Å²	150	146.5 Å²	146.5	69%	0.694	76%	0.755	S	S	*	*			cis	-150.9	144.5	17.5	-151.5	49.9	0	0	0	113.5
655	L	28.9	Very low	31	Very low	123 Å²	123	146.5 Å²	146.5	64%	0.644	76%	0.759	S	S	*	*			trans	57.2	160.6	147.3	-107.3	61.2	0	0	0	121
656	Q	25.8	Very low	30.7	Very low	149 Å²	149	147 Å²	147	70%	0.696	76%	0.761	S	S	*	*			cis	-152.5	138.6	1	-161.9	164.3	-8.8	0	0	113.3
657	Y	27.1	Very low	30.3	Very low	201 Å²	201	146.4 Å²	146.4	79%	0.788	76%	0.758	S	S	*	*			trans	56.5	104.8	151.4	-84.6	-124.9	0	0	0	124.7
658	S	31.9	Very low	30	Very low	98 Å²	98	144.2 Å²	144.2	69%	0.685	75%	0.754	S	S	*	*				96	140.5	103.7	84.9	0	0	0	0	124.6
659	M	26.5	Very low	29.9	Very low	151 Å²	151	139 Å²	139	74%	0.744	75%	0.748	S	S	*	*			trans	90.9	116.2	149	-62.5	-68.2	-87.8	0	0	124
660	Y	31.3	Very low	29.8	Very low	214 Å²	214	140.2 Å²	140.2	84%	0.839	75%	0.748	S	S	*	*			trans	66.3	149.8	146.5	-86	-112.8	0	0	0	122.2
661	G	30.1	Very low	29.7	Very low	72 Å²	72	146.2 Å²	146.2	74%	0.742	75%	0.754	S	S	*	*			trans	-176.4	-60.2	173.6	0	0	0	0	0	120.3
662	H	32.7	Very low	30.3	Very low	169 Å²	169	146.7 Å²	146.7	78%	0.782	75%	0.754	S	S	*	*			trans	72.7	172.1	-178.8	-94.9	88.5	0	0	0	120.3
663	K	29.7	Very low	29.7	Very low	175 Å²	175	145.9 Å²	145.9	76%	0.761	76%	0.757	S	S	*	*			trans	-91.6	179.1	-165.3	-53.1	161.4	-175.6	168.8	0	111.2
664	T	31.5	Very low	29.5	Very low	124 Å²	124	143.7 Å²	143.7	76%	0.761	75%	0.753	S	S	*	*			cis	-165.7	161.4	37.3	17.5	0	0	0	0	114.3
665	T	30.7	Very low	29.5	Very low	102 Å²	102	142.3 Å²	142.3	63%	0.626	76%	0.755	S	S	*	*			trans	-12.1	146.9	157	49.8	0	0	0	0	121.2
666	H	30	Very low	29.4	Very low	152 Å²	152	143 Å²	143	70%	0.704	76%	0.759	S	S	*	*				-176.7	153.6	76.8	-88.5	-76.1	0	0	0	116.9
667	H	29.6	Very low	29.4	Very low	158 Å²	158	145.1 Å²	145.1	73%	0.731	76%	0.761	S	S	*	*			trans	39.8	154.5	141.6	-62.8	-49.3	0	0	0	128.8
668	T	27.9	Very low	29.4	Very low	121 Å²	121	143 Å²	143	74%	0.742	76%	0.759	S	S	*	*			trans	90.1	100.5	138	31	0	0	0	0	124
669	T	26.9	Very low	29.2	Very low	119 Å²	119	145 Å²	145	73%	0.73	76%	0.757	S	S	*	*				54.9	131.2	120.2	55.1	0	0	0	0	125.1
670	E	25.2	Very low	29.1	Very low	191 Å²	191	149.1 Å²	149.1	89%	0.893	76%	0.764	S	S	*	*			trans	88.7	164.4	137.8	-76.1	-173	157.3	0	0	123.2
671	R	27.4	Very low	28.7	Very low	238 Å²	238	147.1 Å²	147.1	90%	0.898	77%	0.765	S	S	*	*			trans	-99.8	-174.4	-171.3	-69.2	175.2	165.7	171.9	-5.9	109.8
672	P	44.4	Very low	28.6	Very low	129 Å²	129	150.2 Å²	150.2	84%	0.838	77%	0.769	S	S	*	*			cis	-132.6	-160.5	2.6	38.4	-16.1	0	0	0	114.7
673	A	28.3	Very low	28.3	Very low	96 Å²	96	148.4 Å²	148.4	79%	0.793	77%	0.77	S	S	*	*			trans	-89.3	165.2	-176	0	0	0	0	0	114.7
674	A	27.7	Very low	28.5	Very low	86 Å²	86	146 Å²	146	71%	0.711	77%	0.772	S	S	*	*				177.5	138	123.3	0	0	0	0	0	116.2
675	T	25.7	Very low	28	Very low	120 Å²	120	148 Å²	148	74%	0.736	78%	0.775	S	S	*	*			trans	61.8	122.6	135.9	54.3	0	0	0	0	126.5
676	L	26.9	Very low	27.7	Very low	139 Å²	139	148.3 Å²	148.3	73%	0.728	78%	0.777	S	S	*	*				83.9	121.3	124	-64.6	169.1	0	0	0	124.1
677	Y	26.7	Very low	27.5	Very low	193 Å²	193	149.3 Å²	149.3	76%	0.757	78%	0.782	S	S	*	*			trans	58	160.9	151.6	-73.1	-105.9	0	0	0	118.7
678	E	26	Very low	27.2	Very low	156 Å²	156	147.3 Å²	147.3	73%	0.729	78%	0.78	S	S	*	*			cis	-123.6	144.8	9.8	-81.6	-172.5	111	0	0	111.5
679	Q	27.3	Very low	27.1	Very low	140 Å²	140	151.4 Å²	151.4	65%	0.654	78%	0.783	S	S	*	*				57	117.4	81.5	-89.9	-166.5	9.9	0	0	118.1
680	R	24.2	Very low	27	Very low	237 Å²	237	157 Å²	157	89%	0.894	79%	0.791	S	S	*	*				-168.1	166.9	113.4	-103.9	173.5	-167.4	-151.3	2	113.8
681	M	23.3	Very low	27.1	Very low	173 Å²	173	152.4 Å²	152.4	85%	0.852	78%	0.78	S	S	*	*			trans	-98.9	166.9	-168.2	-56.7	159	173	0	0	113.1
682	V	28.5	Very low	27.6	Very low	137 Å²	137	146.5 Å²	146.5	83%	0.83	77%	0.773	S	S	*	*				-171.4	145.4	121.3	147.7	0	0	0	0	109.4
683	T	26.5	Very low	26.8	Very low	130 Å²	130	145 Å²	145	80%	0.798	77%	0.766	S	S	*	*			trans	-122.7	156.8	164.8	58.4	0	0	0	0	109
684	P	33.8	Very low	26.6	Very low	125 Å²	125	149.9 Å²	149.9	81%	0.812	77%	0.769	S	S	*	*				-150.5	-155.1	101	41.2	-22.5	0	0	0	114.7
685	M	22.1	Very low	26.4	Very low	165 Å²	165	150.1 Å²	150.1	81%	0.813	77%	0.766	S	S	*	*			trans	-105.4	147.7	-151.7	-58.3	169.2	63.3	0	0	116.1
686	V	24.1	Very low	27.8	Very low	110 Å²	110	149.6 Å²	149.6	67%	0.667	76%	0.764	S	S	*	*				66.4	145.2	124.3	174.8	0	0	0	0	122.9
687	Q	24.8	Very low	27.9	Very low	173 Å²	173	151.8 Å²	151.8	81%	0.808	77%	0.768	S	S	*	*			trans	76.8	123.9	164.9	-80.5	154.9	4.3	0	0	118.1
688	V	24.6	Very low	27.8	Very low	115 Å²	115	150.9 Å²	150.9	70%	0.697	77%	0.77	S	S	*	*				81.8	119.1	53	171.3	0	0	0	0	111
689	Y	24.1	Very low	27.9	Very low	207 Å²	207	147.4 Å²	147.4	81%	0.812	77%	0.768	S	S	*	*				-133.5	179.3	56.2	-94	-89.7	0	0	0	112.7
690	R	25	Very low	27.8	Very low	236 Å²	236	148.5 Å²	148.5	89%	0.891	77%	0.773	S	S	*	*			cis	-153.4	153.3	26.4	-145.5	169.5	-159.6	168.9	4.4	114.2
691	S	28.2	Very low	28	Very low	95 Å²	95	143.8 Å²	143.8	66%	0.664	76%	0.761	S	S	*	*			trans	-129.2	-165.6	178	65.7	0	0	0	0	109
692	P	38.6	Very low	28.1	Very low	115 Å²	115	142.4 Å²	142.4	75%	0.747	75%	0.753	S	S	*	*			cis	-111.1	-134.8	-0	29.3	-4.5	0	0	0	111
693	S	26.1	Very low	28.1	Very low	98 Å²	98	142.7 Å²	142.7	69%	0.685	75%	0.745	S	S	*	*			cis	-170.8	165.2	7.1	17.2	0	0	0	0	108.7
694	F	24.9	Very low	28.1	Very low	198 Å²	198	145.5 Å²	145.5	87%	0.868	75%	0.749	S	S	*	*			cis	-139.3	-129.4	1.8	-159.7	-116.8	0	0	0	111.9
695	S	23.2	Very low	27.8	Very low	91 Å²	91	142.9 Å²	142.9	64%	0.636	74%	0.744	S	S	*	*			trans	-155	-166.3	-173.5	76	0	0	0	0	112.8
696	P	56.1	Low	28.1	Very low	108 Å²	108	141.8 Å²	141.8	70%	0.701	74%	0.742	S	S	*	*			trans	-102.2	-179.5	-152.3	42.1	-40.7	0	0	0	116.4
697	K	27.7	Very low	28.6	Very low	186 Å²	186	142 Å²	142	81%	0.809	74%	0.739	S	S	*	*			trans	162.3	158.3	134.2	-90.7	174.2	-179	-176	0	116.2
698	H	25.9	Very low	29	Very low	173 Å²	173	141.1 Å²	141.1	80%	0.801	73%	0.733	S	S	*	*			trans	21	138.1	144.2	-72.3	-81	0	0	0	124.7
699	A	26.1	Very low	29.4	Very low	83 Å²	83	142.3 Å²	142.3	69%	0.686	73%	0.731	S	S	*	*				95.5	139.7	122.3	0	0	0	0	0	123.8
700	E	26.4	Very low	29.6	Very low	163 Å²	163	139.4 Å²	139.4	76%	0.762	73%	0.729	S	S	*	*			trans	84.6	125.1	141.8	-81.7	174.4	-144.9	0	0	124.4
701	Q	27.2	Very low	29.9	Very low	139 Å²	139	134.3 Å²	134.3	65%	0.65	72%	0.72	S	S	*	*			trans	76.7	130.4	138.4	-64.8	175.4	36.7	0	0	122.5
702	Q	26.2	Very low	30.1	Very low	143 Å²	143	135.9 Å²	135.9	67%	0.668	72%	0.721	S	S	*	*			trans	64.4	150.4	148.4	-67	173.4	-73.6	0	0	118.2
703	E	28	Very low	29.8	Very low	144 Å²	144	135.6 Å²	135.6	67%	0.673	72%	0.722	S	S	*	*			cis	-156.7	168.4	-9.3	-125.7	157.9	-159.2	0	0	111.4
704	E	27.5	Very low	30.1	Very low	189 Å²	189	139.8 Å²	139.8	88%	0.883	73%	0.728	S	S	*	*			trans	44.5	142	159	-59.5	-164.9	138.3	0	0	123.7
705	G	27.7	Very low	30.4	Very low	69 Å²	69	136.5 Å²	136.5	71%	0.711	71%	0.714	S	S	*	*			trans	128.3	88.7	143.3	0	0	0	0	0	118.7
706	N	28.5	Very low	30.7	Very low	142 Å²	142	140.3 Å²	140.3	76%	0.759	73%	0.727	S	S	*	*			trans	28.1	146.9	143.3	-69.7	44.8	0	0	0	121.7
707	D	33.2	Very low	29.3	Very low	114 Å²	114	142.8 Å²	142.8	61%	0.61	72%	0.722	S	S	*	*			cis	-163.3	157.5	9.9	-127.9	-32.1	0	0	0	112
708	K	34.4	Very low	29.4	Very low	155 Å²	155	143.2 Å²	143.2	67%	0.674	72%	0.719	S	S	*	*			trans	64.7	149.2	155.1	-66.2	163.1	171.4	-80.9	0	118.9
709	E	31.7	Very low	29.4	Very low	141 Å²	141	139.3 Å²	139.3	66%	0.659	71%	0.711	S	S	*	*			cis	-149.5	144.2	-4.7	-130.6	150.6	-139	0	0	111
710	D	29.1	Very low	29.5	Very low	145 Å²	145	142.5 Å²	142.5	78%	0.775	72%	0.716	S	S	*	*			trans	30.2	122.6	159.5	-67.9	0.3	0	0	0	122.3
711	N	30.3	Very low	29.6	Very low	129 Å²	129	142.5 Å²	142.5	69%	0.69	72%	0.72	S	S	*	*				81.9	134.9	65.2	-159.1	55.6	0	0	0	111.5
712	D	33.2	Very low	29.5	Very low	128 Å²	128	143.6 Å²	143.6	68%	0.684	73%	0.725	S	S	*	*			cis	-140.5	171.7	17.7	-130.2	-44.4	0	0	0	108.3
713	S	33.2	Very low	29.6	Very low	110 Å²	110	145.5 Å²	145.5	77%	0.769	73%	0.726	S	S	*	*			cis	-154.4	175.4	12.9	55	0	0	0	0	113.6
714	K	31.2	Very low	29.4	Very low	186 Å²	186	144.7 Å²	144.7	81%	0.809	72%	0.722	S	S	*	*			trans	-114.4	135.8	-161.3	-95.3	161.4	177.8	156.2	0	115.9
715	H	31.2	Very low	29.3	Very low	128 Å²	128	142.3 Å²	142.3	59%	0.593	72%	0.716	S	S	*	*				33.6	135.1	128	-80.5	-63.7	0	0	0	122.5
716	L	29.2	Very low	29.2	Very low	171 Å²	171	144.4 Å²	144.4	90%	0.895	72%	0.72	S	S	*	*				-146.3	129.5	116.3	-120.8	71	0	0	0	105.8
717	R	28.4	Very low	29.2	Very low	160 Å²	160	143 Å²	143	60%	0.604	72%	0.721	S	S	*	*			cis	68	133.4	23.1	-93.3	-168.4	173	-174.3	2.9	113.9
718	R	28.2	Very low	29.4	Very low	195 Å²	195	143.1 Å²	143.1	74%	0.736	73%	0.728	S	S	*	*			cis	-163	144.5	2.5	-157	-178.9	179.8	-179.6	-1	113.3
719	S	26.2	Very low	29.1	Very low	91 Å²	91	142.9 Å²	142.9	64%	0.636	73%	0.733	S	S	*	*			trans	36.9	121.1	142.7	-164.4	0	0	0	0	122.3
720	L	27.5	Very low	29	Very low	151 Å²	151	143 Å²	143	79%	0.791	74%	0.743	S	S	*	*				19.5	116.6	111.6	-81.6	167.9	0	0	0	118
721	L	28.8	Very low	28.8	Very low	162 Å²	162	139.9 Å²	139.9	85%	0.848	75%	0.746	S	S	*	*				157.6	111	112.6	-90.6	171.7	0	0	0	112.8
722	E	26.6	Very low	28.7	Very low	162 Å²	162	138.8 Å²	138.8	76%	0.757	75%	0.748	S	S	*	*			trans	179.3	155.4	156.1	-98.9	-155.7	136.5	0	0	107.8
723	R	26.9	Very low	28.4	Very low	184 Å²	184	139.6 Å²	139.6	69%	0.694	75%	0.752	S	S	*	*			cis	-158.6	159.9	-30.9	-134.9	172.1	70.4	-142.4	7.1	109.4
724	E	25.2	Very low	28.1	Very low	126 Å²	126	140.9 Å²	140.9	59%	0.589	76%	0.756	S	S	*	*			trans	24.7	117	155.2	-69.4	170.8	132.9	0	0	122
725	N	24.3	Very low	27.7	Very low	140 Å²	140	140.5 Å²	140.5	75%	0.749	75%	0.754	S	S	*	*				73.3	152.6	127.3	-60.6	-26.7	0	0	0	123.4
726	S	25.5	Very low	27.3	Very low	113 Å²	113	143.7 Å²	143.7	79%	0.79	76%	0.762	S	S	*	*			trans	64.8	100.8	155.4	44.7	0	0	0	0	120.2
727	S	28.4	Very low	27	Very low	113 Å²	113	144.9 Å²	144.9	79%	0.79	76%	0.76	S	S	*	*			trans	-48.2	156.9	142.3	-26	0	0	0	0	111.6
728	P	38.5	Very low	26.8	Very low	115 Å²	115	141.1 Å²	141.1	75%	0.747	76%	0.763	S	S	*	*				-151.5	157.4	77.4	40.2	-21.7	0	0	0	118.4
729	L	27.5	Very low	26.7	Very low	151 Å²	151	137.8 Å²	137.8	79%	0.791	77%	0.765	S	S	*	*			trans	24.7	127.4	140.1	-64.7	165.3	0	0	0	122.3
730	T	28.9	Very low	26.6	Very low	142 Å²	142	139.1 Å²	139.1	87%	0.871	76%	0.764	S	S	*	*			trans	65.5	120.2	137.3	58.2	0	0	0	0	121.5
731	G	24.8	Very low	26.6	Very low	80 Å²	80	139.8 Å²	139.8	83%	0.825	76%	0.764	S	S	*	*			trans	-158.2	142.2	155.7	0	0	0	0	0	109
732	S	29.3	Very low	26.4	Very low	106 Å²	106	137.8 Å²	137.8	74%	0.741	76%	0.763	S	S	*	*			trans	-142.1	162	-160.6	57.4	0	0	0	0	116.4
733	N	25.9	Very low	26.4	Very low	145 Å²	145	134.4 Å²	134.4	78%	0.775	76%	0.763	S	S	*	*			trans	97	162.7	162.8	-56.6	-67	0	0	0	119.7
734	V	26.8	Very low	26.2	Very low	138 Å²	138	135.2 Å²	135.2	84%	0.836	77%	0.774	S	S	*	*			trans	83	133.7	167.4	-167.9	0	0	0	0	116.2
735	K	23.1	Very low	26.2	Very low	178 Å²	178	138 Å²	138	77%	0.774	79%	0.785	S	S	*	*			cis	-172.5	137.3	-47.2	-111	-172.1	178.5	-178.5	0	109
736	Y	23.4	Very low	26.2	Very low	194 Å²	194	139.3 Å²	139.3	76%	0.761	79%	0.791	S	S	*	*			trans	43.1	131	153.3	-72.9	-79.3	0	0	0	123.9
737	K	23	Very low	26.2	Very low	197 Å²	197	138.3 Å²	138.3	86%	0.857	78%	0.784	S	S	*	*				37.9	146.8	129.9	-76	-171.2	174.7	-171.9	0	121.2
738	A	24.7	Very low	26.2	Very low	80 Å²	80	143.3 Å²	143.3	66%	0.661	79%	0.792	S	S	*	*			cis	-136	-147.9	4.8	0	0	0	0	0	109.7
739	T	24.4	Very low	25.6	Very low	126 Å²	126	146.8 Å²	146.8	77%	0.773	80%	0.798	S	S	*	*			cis	-165.9	161.9	7.1	-6.1	0	0	0	0	106.2
740	D	25.2	Very low	25.6	Very low	118 Å²	118	145.2 Å²	145.2	63%	0.631	79%	0.791	S	S	*	*			cis	-155.7	175	-2.1	-150.4	-13.9	0	0	0	110.4
741	Q	28.1	Very low	25.7	Very low	166 Å²	166	142.7 Å²	142.7	78%	0.776	78%	0.784	S	S	*	*			trans	7.8	152.2	157.5	-77	156.6	76.2	0	0	122.1
742	S	24.5	Very low	26.1	Very low	120 Å²	120	142.4 Å²	142.4	84%	0.839	77%	0.77	S	S	*	*			cis	-137	166.5	30	57.5	0	0	0	0	115.5
743	A	25.9	Very low	26.4	Very low	91 Å²	91	140.7 Å²	140.7	75%	0.752	76%	0.758	S	S	*	*			trans	-129.9	164.9	177.6	0	0	0	0	0	111.3
744	E	23.9	Very low	26.8	Very low	200 Å²	200	139.6 Å²	139.6	94%	0.935	75%	0.751	S	S	*	*			trans	-140.1	159.3	163.1	-142.1	165.3	-144.3	0	0	110.7
745	F	23.4	Very low	27	Very low	185 Å²	185	141 Å²	141	81%	0.811	74%	0.743	S	S	*	*			trans	-120.8	140.9	-157.6	-99.3	-104.9	0	0	0	113.5
746	L	25.5	Very low	27.5	Very low	167 Å²	167	141.1 Å²	141.1	87%	0.874	74%	0.738	S	S	*	*			trans	-150.1	132.4	143.4	-71.3	-177.2	0	0	0	106.4
747	S	24.8	Very low	28.2	Very low	93 Å²	93	137 Å²	137	65%	0.65	73%	0.729	S	S	*	*			cis	133.4	120.6	4.2	57.1	0	0	0	0	106.8
748	F	28.3	Very low	28.8	Very low	218 Å²	218	132.5 Å²	132.5	96%	0.956	71%	0.714	S	S	*	*			trans	-69	132.2	-179	-88.7	-109.3	0	0	0	112.6
749	Q	26.6	Very low	29.2	Very low	187 Å²	187	133.5 Å²	133.5	87%	0.874	71%	0.708	S	S	*	*			trans	-155.1	168.4	152.7	-113.4	164.4	1.9	0	0	110.8
750	D	28.3	Very low	29.9	Very low	119 Å²	119	132.7 Å²	132.7	64%	0.636	70%	0.695	S	S	*	*			trans	73.1	54.4	179.5	-68.6	-20.6	0	0	0	120.3	S752 S753	D750-S752 WeakPolarHBondContact CA-OG 3.25Å; D750-S752 WeakPolarHBondContact CB-OG 3.3Å; D750-S752 PolarHBondContact O-N 3.41Å; D750-S752 VanDerWaalsContact O-N 3.13Å; D750-S752 PolarHBondContact OD1-OG 3.23Å; D750-S753 PolarHBondContact O-OG 2.74Å; D750-S753 VanDerWaalsContact O-OG 3.11Å
751	A	30.1	Very low	30.6	Very low	89 Å²	89	133.3 Å²	133.3	74%	0.736	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	0.9	153.5	0	0	0	0	0	114.2
752	S	32.2	Very low	30.9	Very low	74 Å²	74	130.3 Å²	130.3	52%	0.517	68%	0.678	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.1	-22.9	179.2	46.8	0	0	0	0	113.8	D750	D750-S752 WeakPolarHBondContact CA-OG 3.25Å; D750-S752 WeakPolarHBondContact CB-OG 3.3Å; D750-S752 PolarHBondContact O-N 3.41Å; D750-S752 VanDerWaalsContact O-N 3.13Å; D750-S752 PolarHBondContact OD1-OG 3.23Å
753	S	36	Very low	31.5	Very low	70 Å²	70	134 Å²	134	49%	0.49	67%	0.674	S	S	.	*	H	α-helix	trans	-71.8	-33.4	-177.3	55.5	0	0	0	0	114.3	D750 N757	D750-S753 PolarHBondContact O-OG 2.74Å; D750-S753 VanDerWaalsContact O-OG 3.11Å; S753-N757 PolarHBondContact O-ND2 2.71Å; S753-N757 VanDerWaalsContact O-ND2 3.12Å
754	L	34.4	Very low	32.2	Very low	122 Å²	122	135.4 Å²	135.4	64%	0.639	67%	0.665	S	S	*	*	H	α-helix	trans	-73	-32.6	-179.1	-73.5	166.7	0	0	0	112.8	R756 N757 I758	L754-R756 PolarHBondContact O-N 3.37Å; L754-N757 PolarHBondContact O-N 2.73Å; L754-I758 PolarHBondContact O-N 3.22Å
755	Y	31.2	Very low	32.9	Very low	167 Å²	167	130.4 Å²	130.4	66%	0.655	64%	0.644	S	S	*	*	H	α-helix	trans	-71.7	-27.4	-176.3	-116.1	-80.2	0	0	0	113.8	L759	Y755-L759 HydrophobicContact CD1-CD1 4.49Å; Y755-L759 PolarHBondContact O-N 2.76Å
756	R	34.5	Very low	33.5	Very low	180 Å²	180	128.3 Å²	128.3	68%	0.679	64%	0.636	S	S	*	*	H	α-helix	trans	-61.4	-54.3	169.8	-94	-168.4	175.9	-128	6.7	111.1	L754 I758 L759 E760	L754-R756 PolarHBondContact O-N 3.37Å; R756-I758 PolarHBondContact O-N 2.78Å; R756-L759 PolarHBondContact O-N 3.34Å; R756-L759 VanDerWaalsContact O-N 3.09Å; R756-E760 VanDerWaalsContact O-CB 3.3Å; R756-E760 WeakPolarHBondContact O-CB 3.15Å; R756-E760 PolarHBondContact O-N 2.75Å
757	N	36.9	Very low	34.2	Very low	108 Å²	108	128.7 Å²	128.7	58%	0.578	63%	0.634	S	S	*	*	H	α-helix	trans	-57	-26	-177	-77.1	-83.5	0	0	0	113.8	S753 L754 K761	S753-N757 PolarHBondContact O-ND2 2.71Å; S753-N757 VanDerWaalsContact O-ND2 3.12Å; L754-N757 PolarHBondContact O-N 2.73Å; N757-K761 WeakPolarHBondContact O-CB 3.34Å; N757-K761 PolarHBondContact O-N 2.76Å
758	I	36.9	Very low	35.1	Very low	103 Å²	103	128.5 Å²	128.5	53%	0.528	63%	0.625	S	S	.	*	H	α-helix	trans	-79.4	-47.9	175.8	-66.8	162.1	0	0	0	111.4	L754 R756 E760 K761 E762	L754-I758 PolarHBondContact O-N 3.22Å; R756-I758 PolarHBondContact O-N 2.78Å; I758-E760 VanDerWaalsContact C-N 3.35Å; I758-E760 PolarHBondContact O-N 3.36Å; I758-K761 PolarHBondContact O-N 3.33Å; I758-E762 WeakPolarHBondContact O-CB 3.22Å; I758-E762 PolarHBondContact O-N 2.76Å
759	L	32.8	Very low	35.7	Very low	101 Å²	101	122.1 Å²	122.1	53%	0.529	62%	0.62	S	S	.	*	H	α-helix	trans	-69.4	-31.3	179.4	-75.7	165.4	0	0	0	113.2	Y755 R756 R763	Y755-L759 HydrophobicContact CD1-CD1 4.49Å; Y755-L759 PolarHBondContact O-N 2.76Å; R756-L759 PolarHBondContact O-N 3.34Å; R756-L759 VanDerWaalsContact O-N 3.09Å; L759-R763 PolarHBondContact O-N 3.5Å; L759-R763 VanDerWaalsContact O-N 3.16Å
760	E	38.6	Very low	36.6	Very low	108 Å²	108	118 Å²	118	51%	0.505	60%	0.603	S	S	.	*	H	α-helix	trans	-68.2	-45.5	175.6	-151.2	136.6	-129.2	0	0	109.8	R756 I758 E762 R763 E764	R756-E760 VanDerWaalsContact O-CB 3.3Å; R756-E760 WeakPolarHBondContact O-CB 3.15Å; R756-E760 PolarHBondContact O-N 2.75Å; I758-E760 VanDerWaalsContact C-N 3.35Å; I758-E760 PolarHBondContact O-N 3.36Å; E760-E762 PolarHBondContact O-N 2.78Å; E760-R763 WeakPolarHBondContact O-CB 3.33Å; E760-R763 PolarHBondContact O-N 2.81Å; E760-R763 VanDerWaalsContact O-N 3.17Å; E760-E764 PolarHBondContact O-N 2.8Å; E760-E764 VanDerWaalsContact O-N 3.09Å
761	K	40.7	Very low	37	Very low	132 Å²	132	116.4 Å²	116.4	57%	0.574	60%	0.598	S	S	*	*	H	α-helix	trans	-67.4	-31.5	174.5	-168.9	169.8	-171.9	171.1	0	113.8	N757 I758 R763 E764 L765	N757-K761 WeakPolarHBondContact O-CB 3.34Å; N757-K761 PolarHBondContact O-N 2.76Å; I758-K761 PolarHBondContact O-N 3.33Å; K761-R763 VanDerWaalsContact C-N 3.33Å; K761-E764 PolarHBondContact O-N 3.33Å; K761-L765 HydrophobicContact CG-CD1 4.45Å; K761-L765 WeakPolarHBondContact O-CB 3.34Å; K761-L765 WeakPolarHBondContact O-CG 3.49Å; K761-L765 PolarHBondContact O-N 3.34Å
762	E	33.8	Very low	37.4	Very low	103 Å²	103	119.1 Å²	119.1	48%	0.481	60%	0.596	S	S	.	*	H	α-helix	trans	-67.4	-34.6	172	-171.3	173.8	-165.2	0	0	111.7	I758 E760 L765 Q766	I758-E762 WeakPolarHBondContact O-CB 3.22Å; I758-E762 PolarHBondContact O-N 2.76Å; E760-E762 PolarHBondContact O-N 2.78Å; E762-L765 PolarHBondContact O-N 3.47Å; E762-Q766 WeakPolarHBondContact O-CG 3.28Å; E762-Q766 PolarHBondContact O-N 2.75Å; E762-Q766 VanDerWaalsContact O-N 3.13Å
763	R	37	Very low	37.9	Very low	198 Å²	198	123.7 Å²	123.7	75%	0.747	60%	0.603	S	S	*	*	H	α-helix	trans	-65.9	-44.4	171.4	-104.4	179.7	170.4	174.2	-3	112.5	L759 E760 K761 L765 Q766 Q767	L759-R763 PolarHBondContact O-N 3.5Å; L759-R763 VanDerWaalsContact O-N 3.16Å; E760-R763 WeakPolarHBondContact O-CB 3.33Å; E760-R763 PolarHBondContact O-N 2.81Å; E760-R763 VanDerWaalsContact O-N 3.17Å; K761-R763 VanDerWaalsContact C-N 3.33Å; R763-L765 VanDerWaalsContact C-N 3.32Å; R763-L765 PolarHBondContact O-N 3.11Å; R763-Q766 PolarHBondContact O-N 3.23Å; R763-Q766 VanDerWaalsContact O-N 3.14Å; R763-Q767 PolarHBondContact O-N 2.93Å; R763-Q767 VanDerWaalsContact O-N 3.15Å
764	E	39.9	Very low	38	Very low	120 Å²	120	125.5 Å²	125.5	56%	0.561	61%	0.606	S	S	*	*	H	α-helix	trans	-60.6	-41.6	174.8	-66.7	-178.8	142.7	0	0	111.7	E760 K761 Q766 Q767 L768	E760-E764 PolarHBondContact O-N 2.8Å; E760-E764 VanDerWaalsContact O-N 3.09Å; K761-E764 PolarHBondContact O-N 3.33Å; E764-Q766 PolarHBondContact O-N 3.48Å; E764-Q767 PolarHBondContact O-N 3.21Å; E764-L768 PolarHBondContact O-N 2.85Å
765	L	38.8	Very low	38.1	Very low	95 Å²	95	130.1 Å²	130.1	50%	0.497	62%	0.615	S	S	.	*	H	α-helix	trans	-67	-18.9	175.4	-81.1	165.2	0	0	0	114.5	K761 E762 R763	K761-L765 HydrophobicContact CG-CD1 4.45Å; K761-L765 WeakPolarHBondContact O-CB 3.34Å; K761-L765 WeakPolarHBondContact O-CG 3.49Å; K761-L765 PolarHBondContact O-N 3.34Å; E762-L765 PolarHBondContact O-N 3.47Å; R763-L765 VanDerWaalsContact C-N 3.32Å; R763-L765 PolarHBondContact O-N 3.11Å
766	Q	36.1	Very low	38.4	Very low	140 Å²	140	129.8 Å²	129.8	65%	0.654	62%	0.617	S	S	*	*	H	α-helix	trans	-87.5	-18.4	169.8	-71.4	179.8	17.4	0	0	112.9	E762 R763 E764	E762-Q766 WeakPolarHBondContact O-CG 3.28Å; E762-Q766 PolarHBondContact O-N 2.75Å; E762-Q766 VanDerWaalsContact O-N 3.13Å; R763-Q766 PolarHBondContact O-N 3.23Å; R763-Q766 VanDerWaalsContact O-N 3.14Å; E764-Q766 PolarHBondContact O-N 3.48Å
767	Q	40.3	Very low	38.6	Very low	175 Å²	175	126.5 Å²	126.5	82%	0.818	61%	0.613	S	S	*	*	H	α-helix	trans	-88.6	-22.2	176	-127.8	169.6	-10.8	0	0	112.5	R763 E764	R763-Q767 PolarHBondContact O-N 2.93Å; R763-Q767 VanDerWaalsContact O-N 3.15Å; E764-Q767 PolarHBondContact O-N 3.21Å
768	L	44.6	Very low	38.5	Very low	89 Å²	89	127.3 Å²	127.3	47%	0.466	62%	0.616	S	S	.	*	S	Bend	trans	-81.5	116.3	163.6	-65.3	170.1	0	0	0	109.8	E764 I770	E764-L768 PolarHBondContact O-N 2.85Å; L768-I770 HydrophobicContact CB-CD1 4.12Å; L768-I770 HydrophobicContact CB-CG1 4.3Å; L768-I770 PolarHBondContact O-N 2.82Å
769	G	41.2	Very low	38.3	Very low	84 Å²	84	128.8 Å²	128.8	87%	0.866	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	44.3	-176.4	0	0	0	0	0	116.1
770	I	44.6	Very low	38.5	Very low	101 Å²	101	132.2 Å²	132.2	52%	0.518	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.6	-4	-168.1	-56.9	176.3	0	0	0	111.7	L768 E772 Y773	L768-I770 HydrophobicContact CB-CD1 4.12Å; L768-I770 HydrophobicContact CB-CG1 4.3Å; L768-I770 PolarHBondContact O-N 2.82Å; I770-E772 PolarHBondContact O-N 3.4Å; I770-Y773 PolarHBondContact O-N 3.29Å
771	T	36.2	Very low	38	Very low	86 Å²	86	135.3 Å²	135.3	53%	0.528	66%	0.662	S	S	.	*	H	α-helix	trans	-61.8	-13.8	-171.9	51.4	0	0	0	0	116	R775	T771-R775 WeakPolarHBondContact O-CB 3.39Å
772	E	39.9	Very low	37.3	Very low	146 Å²	146	138.1 Å²	138.1	68%	0.682	68%	0.677	S	S	*	*	H	α-helix	trans	-78.5	-29.8	171.6	-75.9	-156	100.8	0	0	114	I770	I770-E772 PolarHBondContact O-N 3.4Å
773	Y	41.4	Very low	37.3	Very low	170 Å²	170	139.1 Å²	139.1	67%	0.667	69%	0.693	S	S	*	*	H	α-helix	trans	-72.1	-45.8	-174.2	-172.5	-94.4	0	0	0	112	I770 R775 K776 N777	I770-Y773 PolarHBondContact O-N 3.29Å; Y773-R775 VanDerWaalsContact C-N 3.31Å; Y773-R775 PolarHBondContact O-N 3.21Å; Y773-K776 PolarHBondContact O-N 2.76Å; Y773-N777 PolarHBondContact O-ND2 3.26Å
774	L	38.9	Very low	36.6	Very low	108 Å²	108	137.1 Å²	137.1	57%	0.565	70%	0.697	S	S	*	*	H	α-helix	trans	-66.6	-32.8	176.6	-67.5	171.2	0	0	0	112	K776	L774-K776 VanDerWaalsContact C-N 3.28Å; L774-K776 PolarHBondContact O-N 2.94Å
775	R	36.4	Very low	35.9	Very low	219 Å²	219	140 Å²	140	83%	0.826	71%	0.713	S	S	*	*	H	α-helix	trans	-72.4	-16.2	-177.4	-161.8	174.3	-166.1	131.7	5	114.2	T771 Y773	T771-R775 WeakPolarHBondContact O-CB 3.39Å; Y773-R775 VanDerWaalsContact C-N 3.31Å; Y773-R775 PolarHBondContact O-N 3.21Å
776	K	37.4	Very low	35.2	Very low	160 Å²	160	144.2 Å²	144.2	70%	0.696	73%	0.73	S	S	*	*	H	α-helix	trans	-94.2	-16.1	-179.5	-95.4	174.5	176.5	162.3	0	115.3	Y773 L774	Y773-K776 PolarHBondContact O-N 2.76Å; L774-K776 VanDerWaalsContact C-N 3.28Å; L774-K776 PolarHBondContact O-N 2.94Å
777	N	38	Very low	34.6	Very low	110 Å²	110	144.7 Å²	144.7	59%	0.588	74%	0.742	S	S	*	*	H	α-helix	trans	-119.8	2.4	-164.2	-67.7	-66.8	0	0	0	115.5	Y773	Y773-N777 PolarHBondContact O-ND2 3.26Å
778	I	35.8	Very low	33.7	Very low	125 Å²	125	145.1 Å²	145.1	64%	0.641	74%	0.743	S	S	*	*			trans	-126	99.4	178.1	-55.9	178.7	0	0	0	109.7
779	V	31.1	Very low	33	Very low	134 Å²	134	151.2 Å²	151.2	81%	0.812	76%	0.762	S	S	*	*			trans	-121.3	61.7	173.6	-171.3	0	0	0	0	109.4
780	Q	37.4	Very low	32.4	Very low	174 Å²	174	152.8 Å²	152.8	81%	0.813	76%	0.757	S	S	*	*			trans	-168.2	102.3	165.5	-110.3	164.1	27.5	0	0	109.7
781	L	28.9	Very low	31.5	Very low	172 Å²	172	159.1 Å²	159.1	90%	0.901	77%	0.774	S	S	*	*			trans	164.4	92.2	153	-93.4	159.6	0	0	0	108.6
782	Q	26.6	Very low	31	Very low	191 Å²	191	164.3 Å²	164.3	89%	0.893	78%	0.784	S	S	*	*			trans	-82.1	131.7	159.9	-75.6	178.8	-100.4	0	0	108.5
783	P	33.1	Very low	30.4	Very low	125 Å²	125	163.6 Å²	163.6	81%	0.812	78%	0.78	S	S	*	*			trans	-85	135.7	160.2	33.4	-29.4	0	0	0	109.7
784	D	22.8	Very low	29.7	Very low	156 Å²	156	163.1 Å²	163.1	83%	0.834	78%	0.784	S	S	*	*			trans	-108	161.8	167	-122.4	-32	0	0	0	109.5
785	M	25.1	Very low	29.3	Very low	181 Å²	181	166 Å²	166	89%	0.892	80%	0.795	S	S	*	*			trans	75.8	135.4	176.4	-64.5	-82.1	-71.6	0	0	118.5
786	E	23.9	Very low	29	Very low	183 Å²	183	163.7 Å²	163.7	86%	0.855	80%	0.798	S	S	*	*			trans	-102.7	157.2	-175.3	-43.7	164.1	106	0	0	112.6
787	V	23.6	Very low	28.5	Very low	150 Å²	150	164 Å²	164	91%	0.909	80%	0.802	S	S	*	*			trans	-142.1	144.4	143.4	-174.1	0	0	0	0	111.1
788	H	21.9	Very low	28.1	Very low	183 Å²	183	166.2 Å²	166.2	85%	0.847	81%	0.813	S	S	*	*			trans	-60.2	154.4	-173.8	-115.4	60	0	0	0	118.4
789	Y	28.8	Very low	27.5	Very low	217 Å²	217	168.5 Å²	168.5	85%	0.851	82%	0.823	S	S	*	*			trans	-89	165.8	160.1	-96.3	-91.6	0	0	0	112.3
790	P	28.5	Very low	27.4	Very low	118 Å²	118	169.7 Å²	169.7	77%	0.766	82%	0.82	S	S	*	*				-139.7	161.8	124.4	34.5	-19.9	0	0	0	117
791	R	25.5	Very low	26.8	Very low	234 Å²	234	166.4 Å²	166.4	88%	0.883	81%	0.812	S	S	*	*			trans	-54.8	173.4	175.4	-63.7	168	162.3	162	-6.2	113.9
792	R	26.5	Very low	26.7	Very low	195 Å²	195	164.5 Å²	164.5	74%	0.736	80%	0.802	S	S	*	*			cis	-176.5	146.6	40.1	-160.6	178.1	-174.9	-179.7	-5.1	115.1
793	H	26.5	Very low	26.5	Very low	130 Å²	130	163.2 Å²	163.2	60%	0.602	80%	0.798	S	S	*	*			trans	42.8	172.4	153.2	-55.8	-23.1	0	0	0	119.9
794	E	27.1	Very low	26.1	Very low	161 Å²	161	167.1 Å²	167.1	75%	0.752	80%	0.798	S	S	*	*			cis	-147.3	-167.7	8.7	-143	131.1	-113.7	0	0	112.6
795	E	31.1	Very low	26.2	Very low	167 Å²	167	165.4 Å²	165.4	78%	0.78	80%	0.798	S	S	*	*			trans	-81.5	166.9	-161.3	-48.9	170.3	122.5	0	0	116.8
796	L	29	Very low	26.3	Very low	171 Å²	171	168.3 Å²	168.3	90%	0.895	80%	0.799	S	S	*	*				-171.4	165.1	108.9	-100	168.8	0	0	0	114.1
797	Q	27.7	Very low	26.9	Very low	166 Å²	166	165.4 Å²	165.4	78%	0.776	80%	0.796	S	S	*	*			trans	-122.8	178.2	-174.3	-65.6	-175.4	-22.4	0	0	112.9
798	L	29	Very low	27	Very low	158 Å²	158	170.3 Å²	170.3	83%	0.827	80%	0.798	S	S	*	*			trans	76.5	155.2	165.6	-62.3	144.6	0	0	0	115.1
799	M	24.7	Very low	27.2	Very low	173 Å²	173	170.1 Å²	170.1	85%	0.852	80%	0.795	S	S	*	*			cis	-141.6	177.4	12.5	-154	166.5	67.6	0	0	113.1
800	E	27.2	Very low	27	Very low	159 Å²	159	166.8 Å²	166.8	74%	0.743	80%	0.797	S	S	*	*			trans	-109.5	175	-167.3	-150.2	-168.4	152.1	0	0	114
801	T	24.6	Very low	26.8	Very low	104 Å²	104	168.7 Å²	168.7	64%	0.638	79%	0.793	S	S	*	*			trans	83.6	127.9	150.3	46.9	0	0	0	0	124.7
802	L	26.9	Very low	26.8	Very low	132 Å²	132	165.9 Å²	165.9	69%	0.691	80%	0.795	S	S	*	*			trans	74.1	118.8	136.1	-70.2	167	0	0	0	123.1
803	M	22.9	Very low	26.7	Very low	164 Å²	164	163.2 Å²	163.2	81%	0.808	79%	0.791	S	S	*	*				-175	165.6	97.8	-100.9	-57.9	179.9	0	0	116.6
804	Y	25.9	Very low	26.6	Very low	208 Å²	208	164.4 Å²	164.4	82%	0.816	80%	0.796	S	S	*	*			trans	-74.9	160.6	-170.3	-88.4	-113	0	0	0	118.2
805	S	24.9	Very low	26.5	Very low	120 Å²	120	163.7 Å²	163.7	84%	0.839	80%	0.803	S	S	*	*				-176.2	164.2	114.1	49.9	0	0	0	0	115.8
806	R	27.4	Very low	26.3	Very low	242 Å²	242	164.3 Å²	164.3	91%	0.913	80%	0.804	S	S	*	*			trans	-150.8	148.5	174.9	-91.8	-174	172.6	179.1	-1.3	109.7
807	P	35.4	Very low	26.2	Very low	122 Å²	122	163.8 Å²	163.8	79%	0.792	80%	0.802	S	S	*	*				-146.1	124.8	127	31.9	-14.3	0	0	0	113.5
808	R	25.3	Very low	26.2	Very low	253 Å²	253	164.6 Å²	164.6	96%	0.955	81%	0.805	S	S	*	*				94.8	160.8	89.2	-86.4	-168.7	170.2	-170.2	-1.9	115.1
809	K	27.3	Very low	26.1	Very low	179 Å²	179	166.4 Å²	166.4	78%	0.778	80%	0.803	S	S	*	*			trans	-104.3	163	-164.2	-56.5	179.7	176.6	-174	0	113.8
810	V	23.3	Very low	26.1	Very low	146 Å²	146	166.9 Å²	166.9	89%	0.885	80%	0.8	S	S	*	*			trans	-128.6	159.2	150.6	-179.8	0	0	0	0	108.5
811	F	25.8	Very low	26.2	Very low	159 Å²	159	168.4 Å²	168.4	70%	0.697	81%	0.807	S	S	*	*			trans	-132.3	148.3	-176.1	-121.1	-85.7	0	0	0	109.8
812	L	23.7	Very low	26.4	Very low	174 Å²	174	172 Å²	172	91%	0.911	82%	0.822	S	S	*	*			trans	-160	154.2	159.3	-116.5	154.7	0	0	0	109.6
813	E	24.2	Very low	26.5	Very low	140 Å²	140	175.5 Å²	175.5	65%	0.654	83%	0.831	S	S	*	*			trans	-119.3	150.4	-165	-84.9	-166.2	96.9	0	0	115.1
814	Q	26.3	Very low	26.8	Very low	154 Å²	154	170.9 Å²	170.9	72%	0.72	82%	0.819	S	S	*	*			trans	33.7	125.8	144.2	-55.4	-174.8	47.5	0	0	120.7
815	T	24.5	Very low	26.9	Very low	147 Å²	147	166.5 Å²	166.5	90%	0.902	81%	0.81	S	S	*	*				-145.4	160.1	118.5	32.7	0	0	0	0	111
816	K	27	Very low	27	Very low	180 Å²	180	168 Å²	168	78%	0.783	81%	0.808	S	S	*	*			trans	-84.6	154.7	-178.3	-57.3	173.5	176.1	-178.3	0	112
817	N	26.4	Very low	27.2	Very low	160 Å²	160	163 Å²	163	86%	0.856	79%	0.794	S	S	*	*				-171.8	159.8	104.6	-90.1	-16	0	0	0	111.8
818	E	28	Very low	26.8	Very low	182 Å²	182	162.1 Å²	162.1	85%	0.85	80%	0.798	S	S	*	*			trans	-102	176.4	-175.3	-58.9	169.8	133.1	0	0	111.9
819	Y	25.7	Very low	27.1	Very low	197 Å²	197	152.7 Å²	152.7	77%	0.773	76%	0.764	S	S	*	*			trans	85.3	140.6	160.1	-120.8	-98.6	0	0	0	118.2
820	F	25.4	Very low	27.4	Very low	183 Å²	183	145.3 Å²	145.3	80%	0.803	74%	0.735	S	S	*	*			trans	67.2	133.9	-170.6	-48.5	-76.7	0	0	0	113.2
821	E	29.8	Very low	27.9	Very low	190 Å²	190	141.2 Å²	141.2	89%	0.888	71%	0.708	S	S	*	*			cis	-128.1	141.4	6.3	-68.1	-175.2	113.3	0	0	112.2
822	L	28.5	Very low	28.4	Very low	180 Å²	180	137.4 Å²	137.4	94%	0.942	69%	0.689	S	S	*	*			trans	-116.7	64	-176	-147.4	170	0	0	0	109.3
823	K	29.6	Very low	29	Very low	206 Å²	206	130 Å²	130	90%	0.896	65%	0.65	S	S	*	*			trans	-159.6	49.5	-176	-142.8	-174.9	-178.6	-169.7	0	118.2
824	A	28.8	Very low	29.6	Very low	67 Å²	67	125.1 Å²	125.1	55%	0.554	63%	0.628	S	S	*	*			trans	-133.4	169.5	165.4	0	0	0	0	0	111.1	E38	E38-A824 WeakPolarHBondContact OE1-CB 3.5Å
825	N	28.1	Very low	30.2	Very low	115 Å²	115	119.8 Å²	119.8	62%	0.615	61%	0.606	S	S	*	*			trans	63.2	56.1	171	-55.9	-27.9	0	0	0	116.9	E38	E38-N825 PolarHBondContact OE2-ND2 3.15Å; E38-N825 PolarHBondContact OE2-OD1 3.05Å
826	L	26.5	Very low	30.5	Very low	152 Å²	152	112.9 Å²	112.9	80%	0.796	56%	0.563	S	S	*	*				-75.7	159.1	123.3	-69.5	110.3	0	0	0	108.4
827	H	32	Very low	30.9	Very low	137 Å²	137	109.8 Å²	109.8	63%	0.634	55%	0.551	S	S	*	*			trans	76.3	94	-171.3	-42.8	81.9	0	0	0	112.9	E49	E49-H827 IonicContact OE1-CD2 2.68Å; E49-H827 IonicContact OE2-CD2 3.13Å
828	A	27.9	Very low	31.2	Very low	104 Å²	104	106.5 Å²	106.5	86%	0.86	53%	0.531	S	S	*	.			trans	-142.4	136.4	161.9	0	0	0	0	0	107
829	E	30.9	Very low	31.2	Very low	54 Å²	54	105.5 Å²	105.5	25%	0.252	53%	0.526	S	S	.	.			trans	-91.6	171.3	-172.9	-99.8	-150.1	136.9	0	0	113.1	L72 H94 D831	L72-E829 HydrophobicContact CD1-CG 3.7Å; L72-E829 WeakPolarHBondContact CD1-OE2 3.34Å; H94-E829 IonicContact CE1-OE2 2.66Å; H94-E829 IonicContact CG-OE2 3.8Å; H94-E829 IonicContact ND1-OE2 3.67Å; H94-E829 PolarHBondContact ND1-OE2 3.4Å; E829-D831 PolarHBondContact O-N 2.79Å
830	P	33.4	Very low	31.4	Very low	24 Å²	24	104.3 Å²	104.3	16%	0.156	54%	0.54	C	S	.	.			trans	-56.7	108	-179.3	23.5	-38.4	0	0	0	114.3	Y443 Y832	Y443-P830 HydrophobicContact CD1-CB 4.2Å; Y443-P830 HydrophobicContact CE1-CB 3.37Å; Y443-P830 HydrophobicContact CE2-CB 4.25Å; Y443-P830 VanDerWaalsContact CZ-CB 3.41Å; Y443-P830 WeakPolarHBondContact OH-CB 3.08Å; P830-Y832 HydrophobicContact CB-CD2 3.98Å; P830-Y832 HydrophobicContact CB-CE2 3.68Å; P830-Y832 HydrophobicContact CG-CD2 4.46Å; P830-Y832 HydrophobicContact CG-CE2 4.06Å; P830-Y832 WeakPolarHBondContact O-CD2 3.5Å; P830-Y832 PolarHBondContact O-N 3.47Å; P830-Y832 VanDerWaalsContact O-N 3.07Å
831	D	34.8	Very low	31.7	Very low	61 Å²	61	100.4 Å²	100.4	33%	0.326	53%	0.527	S	S	.	.			trans	-86.4	76.4	-173.2	-151.8	-23.2	0	0	0	113	K489 E829 L833	K489-D831 WeakPolarHBondContact CE-O 3.34Å; K489-D831 PolarHBondContact NZ-O 3.46Å; E829-D831 PolarHBondContact O-N 2.79Å; D831-L833 PolarHBondContact O-N 2.81Å; D831-L833 WeakPolarHBondContact OD1-CB 3.2Å
832	Y	35.3	Very low	31.8	Very low	79 Å²	79	95.7 Å²	95.7	31%	0.31	51%	0.508	S	S	.	.			trans	-70.4	14.9	-177.7	-74.5	-84.6	0	0	0	115.2	F140 I166 P830	F140-Y832 HydrophobicContact CD2-CG 4.3Å; F140-Y832 HydrophobicContact CE1-CD2 4.23Å; F140-Y832 HydrophobicContact CE1-CG 4.45Å; F140-Y832 AromaticContact CE2-CD1 3.9Å; F140-Y832 HydrophobicContact CE2-CD1 3.9Å; F140-Y832 AromaticContact CE2-CD2 3.88Å; F140-Y832 HydrophobicContact CE2-CD2 3.88Å; F140-Y832 AromaticContact CE2-CG 3.4Å; F140-Y832 HydrophobicContact CE2-CG 3.4Å; F140-Y832 VanDerWaalsContact CZ-CB 3.41Å; F140-Y832 HydrophobicContact CZ-CD1 4.24Å; F140-Y832 AromaticContact CZ-CD2 3.41Å; F140-Y832 HydrophobicContact CZ-CD2 3.41Å; F140-Y832 VanDerWaalsContact CZ-CD2 3.41Å; F140-Y832 HydrophobicContact CZ-CE2 4.14Å; F140-Y832 AromaticContact CZ-CG 3.46Å; F140-Y832 HydrophobicContact CZ-CG 3.46Å; F140-Y832 VanDerWaalsContact CZ-CG 3.46Å; I166-Y832 HydrophobicContact CD1-CD1 3.93Å; I166-Y832 HydrophobicContact CD1-CD2 4.47Å; I166-Y832 HydrophobicContact CD1-CE1 3.5Å; I166-Y832 HydrophobicContact CD1-CE2 4.1Å; I166-Y832 HydrophobicContact CD1-CG 4.39Å; P830-Y832 HydrophobicContact CB-CD2 3.98Å; P830-Y832 HydrophobicContact CB-CE2 3.68Å; P830-Y832 HydrophobicContact CG-CD2 4.46Å; P830-Y832 HydrophobicContact CG-CE2 4.06Å; P830-Y832 WeakPolarHBondContact O-CD2 3.5Å; P830-Y832 PolarHBondContact O-N 3.47Å; P830-Y832 VanDerWaalsContact O-N 3.07Å
833	L	36.4	Very low	32	Very low	17 Å²	17	91 Å²	91	9%	0.089	48%	0.484	C	S	.	.			trans	-92.5	-20.6	-156.2	-109.7	82.1	0	0	0	119.7	Q116 D831 V835 L836	Q116-L833 HydrophobicContact CB-CD1 3.99Å; Q116-L833 HydrophobicContact CG-CD1 3.45Å; Q116-L833 VanDerWaalsContact CG-CD1 3.45Å; Q116-L833 HydrophobicContact CG-CD2 3.69Å; Q116-L833 HydrophobicContact CG-CG 3.95Å; Q116-L833 VanDerWaalsContact NE2-CD1 3.34Å; D831-L833 PolarHBondContact O-N 2.81Å; D831-L833 WeakPolarHBondContact OD1-CB 3.2Å; L833-V835 PolarHBondContact O-N 2.77Å; L833-L836 HydrophobicContact CD2-CD2 3.9Å; L833-L836 HydrophobicContact CG-CD1 4.13Å; L833-L836 HydrophobicContact CG-CD2 4.07Å; L833-L836 WeakPolarHBondContact O-CB 3.41Å; L833-L836 WeakPolarHBondContact O-CD1 3.34Å; L833-L836 PolarHBondContact O-N 3.48Å
834	E	36.3	Very low	32.1	Very low	39 Å²	39	84.2 Å²	84.2	18%	0.182	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-7.9	-167.5	-76.2	164.5	127.7	0	0	113.7	K489 E514 D515 L836 E837	K489-E834 WeakPolarHBondContact CD-OE2 3.44Å; K489-E834 WeakPolarHBondContact CE-OE2 3.43Å; K489-E834 WeakPolarHBondContact CG-OE2 3.27Å; K489-E834 IonicContact NZ-OE2 3.05Å; K489-E834 PolarHBondContact NZ-OE2 3.45Å; E514-E834 VanDerWaalsContact CB-CD 3.41Å; E514-E834 WeakPolarHBondContact CB-OE1 3.26Å; E514-E834 VanDerWaalsContact CB-OE2 3.24Å; E514-E834 WeakPolarHBondContact CB-OE2 3.43Å; D515-E834 PolarHBondContact N-OE1 2.74Å; D515-E834 VanDerWaalsContact N-OE1 3.09Å; E834-L836 PolarHBondContact O-N 2.78Å; E834-E837 PolarHBondContact O-N 2.95Å
835	V	38.5	Very low	32.3	Very low	42 Å²	42	85.3 Å²	85.3	26%	0.255	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.3	164.7	-166.9	0	0	0	0	112.1	K163 V164 L833	K163-V835 HydrophobicContact CB-CG1 3.85Å; K163-V835 HydrophobicContact CD-CG1 4.05Å; K163-V835 WeakPolarHBondContact CD-O 3.37Å; K163-V835 PolarHBondContact NZ-O 2.77Å; V164-V835 HydrophobicContact CG2-CB 3.94Å; V164-V835 HydrophobicContact CG2-CG1 3.78Å; V164-V835 HydrophobicContact CG2-CG2 3.89Å; L833-V835 PolarHBondContact O-N 2.77Å
836	L	32.4	Very low	32.6	Very low	2 Å²	2	83.3 Å²	83.3	1%	0.01	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-55.1	176.9	-80.1	66	0	0	0	112.4	K115 E139 F140 K163 L833 E834 Q838	K115-L836 HydrophobicContact CB-CD2 3.51Å; K115-L836 HydrophobicContact CD-CD2 3.58Å; K115-L836 HydrophobicContact CG-CD2 3.62Å; E139-L836 HydrophobicContact CB-CD1 3.58Å; E139-L836 HydrophobicContact CB-CD2 3.69Å; E139-L836 HydrophobicContact CB-CG 3.32Å; E139-L836 HydrophobicContact CG-CD2 4.06Å; E139-L836 HydrophobicContact CG-CG 3.88Å; F140-L836 HydrophobicContact CB-CD1 4.14Å; K163-L836 PolarHBondContact NZ-O 3.4Å; L833-L836 HydrophobicContact CD2-CD2 3.9Å; L833-L836 HydrophobicContact CG-CD1 4.13Å; L833-L836 HydrophobicContact CG-CD2 4.07Å; L833-L836 WeakPolarHBondContact O-CB 3.41Å; L833-L836 WeakPolarHBondContact O-CD1 3.34Å; L833-L836 PolarHBondContact O-N 3.48Å; E834-L836 PolarHBondContact O-N 2.78Å; L836-Q838 VanDerWaalsContact C-N 3.34Å; L836-Q838 PolarHBondContact O-N 2.98Å
837	E	33.5	Very low	33.1	Very low	114 Å²	114	78.4 Å²	78.4	53%	0.533	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-83.2	-13.9	-156.2	-48.4	-137.2	123.3	0	0	113.1	K115 E834 Q839	K115-E837 IonicContact NZ-OE1 2.66Å; K115-E837 PolarHBondContact NZ-OE1 2.93Å; E834-E837 PolarHBondContact O-N 2.95Å; E837-Q839 PolarHBondContact O-N 2.93Å
838	Q	33.1	Very low	33.1	Very low	91 Å²	91	73.9 Å²	73.9	43%	0.425	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-66.6	10	178.3	-64.6	177.3	20.9	0	0	115.6	G541 L836	G541-Q838 VanDerWaalsContact CA-NE2 3.31Å; L836-Q838 VanDerWaalsContact C-N 3.34Å; L836-Q838 PolarHBondContact O-N 2.98Å
839	Q	29.2	Very low	33.6	Very low	161 Å²	161	71.4 Å²	71.4	75%	0.752	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-141.1	25.8	-178.3	-70.1	-163.6	-16.9	0	0	116	E837	E837-Q839 PolarHBondContact O-N 2.93Å
840	T	29	Very low	33.8	Very low	173 Å²	173	73 Å²	73	100%	1.061	37%	0.373	S	S	*	.			trans	-133.7	0	167.4	56.8	0	0	0	0	112.8

Retrieved 840 of 840 residues in 346.1 ms (Link to these results)

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