A0A5K4F141_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A5K4F141, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,370 aa.

						>A0A5K4F141_SCHMA|A0A5K4F141
MPIQLDNKSSSNVERLDRSFMRNGVYHIGEHPEGISPLEAVNLYRDSLSLHERKEILRYEKIFYVGCTVDKHSMSNCSQFSMQKFNNQISQYSNEKLNPNHNNNDSNHNNNPDNQSMFNDSDNFYRIIQHDHIAYRYEILSLLGKGSFGQVVSAYDHMKGCKVALKIIRTEPRFTRQAREEIRILETLRNMRECSGGELNRYDFPIINLYEHFTFRKHICMTFELLNINLYDLLKLNKFTGLPRDRVRRICYQVLKALQFIQKAGIIHCDLKPENILLVWPQLPENENTTNNTTNYQYGDNNLKKSQQHQNHYNGNNNNNDNGYDSMNHLRSMCQRVTEQKDYVKLIDFGSSCFQNGQPYPYIQSRFYRAPEILLRLGYNEAIDTWSFGCLVAELINGLPLFPGEDEADQMACIMEVLGLPHPNLLRHSSELDRYFIEFKCDKLKPSTLEFMDKNGVRLCRDVVYLPRYCSVRYPDGDNPPQLLPGLSKRGGHVRGIPSSLPLLQAITQSRLRRYKRKDTRSVSNLSTTMNATKMSEEEEIYLDQDNELVVNLLSSCLTWLPDERIQPNKAILHPWFNHFYNNKSSIGFRSQLRVRSMEVSKFAPNNSKLANEINERYLIHDHRNGHESLNKDSLHKINGFCNNGRRKTSRLNLINNHLVNFDITPNNFIVDDSMRNNHETDVKPCMVDAQSSPIQEEELKKTRQNSQITIVQQQPSYMVTVSNSPNKCSKNLSHSTQHTDKLSSSGNRRVTLVYPNNNSSNVNDNRTITTTTPVTTTMVATTANSSNQGVDNKSTVSDDNQEGRLLSVNLSFNHLNNDNSITKTNNSNIDGACDDVNISNITSSSIIHMNKNILNDSTINNSSSSNSSSNSNANTTALDVMLQHSDLLTSVRRSSLIGSLTEINNLNGTQSEVVVEKTRPLIHTKPDAIYQSKKRLDRNSTSNSDRPLSEFTHHHHHQNNQHPIADYGKTKIITENEIDSPTFLITGHCSDSTPHLPNLTSFNINHINNNNNNNTNGTNATVCKITNSPNRYSYSNLHQSVPFVSSLTIDKSLNNSMNNIVSIQKMKPATDVGMINASTKRYSVPTRTKLIDIPQAEYEIPITDHNNSSINYNHINDYAKQDIHFIPVTSSHVIISTDSGISHKLNTTHDNSTTNITSNCHYETQYRYPSSHYSQQQCDTYHNHKNNYQYRQQQPPSQHQEQFNRQTSCWLANNNNNSCYSNNNRKILNFTRNHTDPKEHSLNSHLNGISSTITGMNSGSTLNSTITLPEIAPKPPARTKLIISNSSNNDTSNNIDYKSPSRWRSVKSLSSEDYGSANLYGPQPYCQPTIESHKIIVQRLPQFNLNNSNNNGHSGYTDQMSSYYTQYET
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.4	Very low	28.3	Very low	240 Å²	240	155.7 Å²	155.7	100%	1.182	85%	0.852	S	S	*	*				0	153.1	0	-72.3	-178.9	176.3	0	0	108.3
2	P	32.1	Very low	28.3	Very low	120 Å²	120	156.6 Å²	156.6	78%	0.779	86%	0.855	S	S	*	*			trans	-89.8	159.8	-165.6	35.5	-35.8	0	0	0	113.7
3	I	31.6	Very low	28.6	Very low	167 Å²	167	154.4 Å²	154.4	86%	0.856	85%	0.849	S	S	*	*			trans	-109.2	131.5	158	-64.8	175.5	0	0	0	106.5
4	Q	26.1	Very low	28.4	Very low	181 Å²	181	157.8 Å²	157.8	85%	0.846	86%	0.855	S	S	*	*			trans	-85.2	149.1	175.7	-61.5	169.3	-78.8	0	0	110.3
5	L	31.4	Very low	28.4	Very low	158 Å²	158	163 Å²	163	83%	0.827	86%	0.858	S	S	*	*			trans	-146.8	108.7	150.4	-104	171.9	0	0	0	110.4
6	D	29.9	Very low	28.4	Very low	143 Å²	143	163.2 Å²	163.2	77%	0.765	86%	0.858	S	S	*	*			trans	42	105.2	152.9	-60.2	-9.7	0	0	0	122.3	K8	D6-K8 PolarHBondContact O-N 2.73Å
7	N	24.5	Very low	28.4	Very low	170 Å²	170	158.9 Å²	158.9	91%	0.909	84%	0.837	S	S	*	*			trans	-73.6	111.8	154.2	-77.7	-41.1	0	0	0	110.9
8	K	28.4	Very low	28.5	Very low	201 Å²	201	162.7 Å²	162.7	87%	0.874	84%	0.838	S	S	*	*			trans	-159.9	53.1	166.8	-124.1	168.2	-169.7	174.8	0	117.9	D6	D6-K8 PolarHBondContact O-N 2.73Å
9	S	30	Very low	28.5	Very low	114 Å²	114	158.3 Å²	158.3	80%	0.797	82%	0.822	S	S	*	*			trans	-166.4	52.6	163.4	44.2	0	0	0	0	113.8	S11	S9-S11 PolarHBondContact O-N 2.82Å
10	S	25.6	Very low	28.6	Very low	127 Å²	127	157.2 Å²	157.2	89%	0.888	81%	0.811	S	S	*	*			trans	-76.1	79.1	179.9	57.3	0	0	0	0	113.3
11	S	26	Very low	28.7	Very low	92 Å²	92	156.8 Å²	156.8	64%	0.643	81%	0.807	S	S	*	*	S	Bend	trans	-166.7	153.5	156.7	28.6	0	0	0	0	111.9	S9	S9-S11 PolarHBondContact O-N 2.82Å
12	N	27.8	Very low	28.9	Very low	166 Å²	166	156.4 Å²	156.4	89%	0.888	79%	0.793	S	S	*	*	S	Bend	trans	76.9	14.7	167.4	-53.7	-19.2	0	0	0	120.2
13	V	31.8	Very low	28.7	Very low	128 Å²	128	158.4 Å²	158.4	78%	0.776	80%	0.797	S	S	*	*	S	Bend	trans	-116.8	-23.1	168.8	-173.7	0	0	0	0	113.7	R15	V13-R15 VanDerWaalsContact C-N 3.31Å; V13-R15 PolarHBondContact O-N 2.94Å
14	E	26	Very low	28.6	Very low	202 Å²	202	152.2 Å²	152.2	94%	0.944	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	62.3	178.5	-66.5	-162.1	122	0	0	113.9
15	R	28.1	Very low	29.3	Very low	236 Å²	236	147.4 Å²	147.4	89%	0.891	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.8	34.4	163.7	-125.7	171.2	-169.2	166.7	3.8	116.3	V13 D17	V13-R15 VanDerWaalsContact C-N 3.31Å; V13-R15 PolarHBondContact O-N 2.94Å; R15-D17 PolarHBondContact O-N 3.47Å
16	L	29.7	Very low	29.8	Very low	166 Å²	166	145.8 Å²	145.8	87%	0.869	74%	0.741	S	S	*	*			trans	-63	117.2	160.2	-86.1	166.4	0	0	0	109.3	R18	L16-R18 PolarHBondContact O-N 2.81Å; L16-R18 VanDerWaalsContact O-N 3.15Å
17	D	28.4	Very low	30.9	Very low	91 Å²	91	144.2 Å²	144.2	49%	0.487	73%	0.729	S	S	.	*			trans	-79.6	102.7	-159	-168.8	-9	0	0	0	113	R15 S19 F20	R15-D17 PolarHBondContact O-N 3.47Å; D17-S19 PolarHBondContact O-N 3.31Å; D17-S19 VanDerWaalsContact O-N 3.1Å; D17-S19 WeakPolarHBondContact OD1-CB 3.39Å; D17-S19 PolarHBondContact OD1-N 2.97Å; D17-S19 PolarHBondContact OD1-OG 3.09Å; D17-S19 PolarHBondContact OD2-OG 3.24Å; D17-F20 HydrophobicContact CB-CD2 4.3Å; D17-F20 PolarHBondContact O-N 3.42Å
18	R	29.2	Very low	32.5	Very low	227 Å²	227	136.7 Å²	136.7	86%	0.857	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-6.8	176.2	-64.2	-170.2	-176.7	-169.6	3.1	113.9	L16	L16-R18 PolarHBondContact O-N 2.81Å; L16-R18 VanDerWaalsContact O-N 3.15Å
19	S	28.2	Very low	33.8	Very low	78 Å²	78	129.7 Å²	129.7	55%	0.545	67%	0.674	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.7	-31.8	175.1	76	0	0	0	0	113	D17 M21	D17-S19 PolarHBondContact O-N 3.31Å; D17-S19 VanDerWaalsContact O-N 3.1Å; D17-S19 WeakPolarHBondContact OD1-CB 3.39Å; D17-S19 PolarHBondContact OD1-N 2.97Å; D17-S19 PolarHBondContact OD1-OG 3.09Å; D17-S19 PolarHBondContact OD2-OG 3.24Å; S19-M21 VanDerWaalsContact C-N 3.31Å; S19-M21 PolarHBondContact O-N 3.24Å
20	F	31	Very low	35	Very low	137 Å²	137	131.6 Å²	131.6	60%	0.601	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-65.1	-32.6	179.2	-90.3	-98	0	0	0	113.1	D17 R22 N23 G24	D17-F20 HydrophobicContact CB-CD2 4.3Å; D17-F20 PolarHBondContact O-N 3.42Å; F20-R22 PolarHBondContact O-N 3.03Å; F20-N23 PolarHBondContact O-N 3.42Å; F20-G24 WeakPolarHBondContact O-CA 3.18Å; F20-G24 PolarHBondContact O-N 2.68Å
21	M	30.7	Very low	37.1	Very low	148 Å²	148	130.1 Å²	130.1	73%	0.729	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-60.6	-12.8	-178	-81.5	-77.5	-179.4	0	0	115.4	S19	S19-M21 VanDerWaalsContact C-N 3.31Å; S19-M21 PolarHBondContact O-N 3.24Å
22	R	30.5	Very low	39.5	Very low	232 Å²	232	130.7 Å²	130.7	88%	0.875	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-94.5	-19	-179.2	-96.7	-175.2	172.7	177.7	-1.9	116	F20	F20-R22 PolarHBondContact O-N 3.03Å
23	N	28.8	Very low	42.2	Very low	162 Å²	162	129.5 Å²	129.5	87%	0.866	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.4	-8.3	180	-75.2	-31	0	0	0	113.3	F20 V25	F20-N23 PolarHBondContact O-N 3.42Å; N23-V25 PolarHBondContact O-N 3.49Å
24	G	29.7	Very low	45	Very low	37 Å²	37	124 Å²	124	38%	0.381	61%	0.609	S	S	.	*			trans	-88.3	93.2	-179	0	0	0	0	0	112.5	F20 Y26	F20-G24 WeakPolarHBondContact O-CA 3.18Å; F20-G24 PolarHBondContact O-N 2.68Å; G24-Y26 PolarHBondContact O-N 2.96Å; G24-Y26 VanDerWaalsContact O-N 3.1Å
25	V	40.7	Very low	48.3	Very low	81 Å²	81	114.7 Å²	114.7	49%	0.491	57%	0.565	S	S	.	*			trans	-67	103.8	155.8	178.8	0	0	0	0	106.7	N23 H27	N23-V25 PolarHBondContact O-N 3.49Å; V25-H27 PolarHBondContact O-CD2 3.2Å; V25-H27 PolarHBondContact O-N 3Å; V25-H27 VanDerWaalsContact O-N 3.13Å
26	Y	42	Very low	51.5	Low	123 Å²	123	106 Å²	106	48%	0.482	54%	0.54	S	S	.	.			trans	-59.4	115.9	164.5	-85.8	-93.9	0	0	0	107.6	G24 Y44	G24-Y26 PolarHBondContact O-N 2.96Å; G24-Y26 VanDerWaalsContact O-N 3.1Å; Y26-Y44 WeakPolarHBondContact CB-OH 3.22Å; Y26-Y44 WeakPolarHBondContact O-CE1 3.44Å; Y26-Y44 PolarHBondContact O-OH 3.22Å; Y26-Y44 VanDerWaalsContact O-OH 3.12Å
27	H	52.4	Low	54.5	Low	111 Å²	111	99.1 Å²	99.1	51%	0.514	51%	0.506	S	S	.	.			trans	-91.4	123.8	169.1	-82.3	-94.6	0	0	0	107.9	V25 G29 E30	V25-H27 PolarHBondContact O-CD2 3.2Å; V25-H27 PolarHBondContact O-N 3Å; V25-H27 VanDerWaalsContact O-N 3.13Å; H27-G29 PolarHBondContact O-N 3.01Å; H27-E30 PolarHBondContact O-N 3.11Å
28	I	58.7	Low	57.7	Low	11 Å²	11	100.2 Å²	100.2	6%	0.056	51%	0.511	C	S	.	.	G	3₁₀ helix	trans	-60.1	-16.1	177.7	-61.6	178.6	0	0	0	112	E30 H31 I35 Y44 I62 F63 V65	I28-E30 PolarHBondContact O-N 3.3Å; I28-H31 CarbonylContact O-C 3.57Å; I28-H31 WeakPolarHBondContact O-CA 3.27Å; I28-H31 PolarHBondContact O-N 3.11Å; I28-I35 HydrophobicContact CD1-CD1 3.72Å; I28-I35 HydrophobicContact CD1-CG1 4.03Å; I28-I35 HydrophobicContact CG1-CD1 4.01Å; I28-I35 HydrophobicContact CG1-CG1 4.43Å; I28-I35 HydrophobicContact CG2-CG1 4.24Å; I28-I35 HydrophobicContact CG2-CG2 4.36Å; I28-Y44 HydrophobicContact CD1-CD2 4.46Å; I28-Y44 HydrophobicContact CD1-CE2 3.71Å; I28-Y44 HydrophobicContact CG1-CE2 3.82Å; I28-Y44 WeakPolarHBondContact CG1-OH 3.26Å; I28-I62 HydrophobicContact CD1-CG2 3.79Å; I28-I62 WeakPolarHBondContact CG2-O 3.26Å; I28-F63 WeakPolarHBondContact CB-O 3.31Å; I28-F63 WeakPolarHBondContact CG2-O 3.23Å; I28-V65 HydrophobicContact CD1-CG2 3.56Å
29	G	53.7	Low	60.7	Low	55 Å²	55	93 Å²	93	57%	0.567	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-59.2	-7.3	172	0	0	0	0	0	116.5	H27 H31	H27-G29 PolarHBondContact O-N 3.01Å; G29-H31 VanDerWaalsContact C-N 3.27Å
30	E	56.9	Low	63.9	Low	153 Å²	153	89.3 Å²	89.3	72%	0.715	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-76	-15.5	165	-65.9	-173.8	174.5	0	0	112.7	H27 I28 P32	H27-E30 PolarHBondContact O-N 3.11Å; I28-E30 PolarHBondContact O-N 3.3Å; E30-P32 WeakPolarHBondContact O-CD 3.4Å
31	H	68.7	Low	66.8	Low	97 Å²	97	83.8 Å²	83.8	45%	0.449	44%	0.439	S	S	.	.			trans	-113	87.7	174.2	-66.1	-96.2	0	0	0	110.3	I28 G29 E33 G34 I35	I28-H31 CarbonylContact O-C 3.57Å; I28-H31 WeakPolarHBondContact O-CA 3.27Å; I28-H31 PolarHBondContact O-N 3.11Å; G29-H31 VanDerWaalsContact C-N 3.27Å; H31-E33 PolarHBondContact O-N 2.93Å; H31-E33 VanDerWaalsContact O-N 3.13Å; H31-G34 PolarHBondContact O-N 2.75Å; H31-I35 HydrophobicContact CB-CG2 3.9Å
32	P	75.6	Confident	69.7	Low	103 Å²	103	81.9 Å²	81.9	67%	0.669	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-20.3	179.9	25.6	-34.9	0	0	0	113.5	E30 G34	E30-P32 WeakPolarHBondContact O-CD 3.4Å; P32-G34 VanDerWaalsContact C-N 3.33Å
33	E	85.5	Confident	72.6	Confident	141 Å²	141	74.8 Å²	74.8	66%	0.659	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-5.6	172.3	-78.6	-154.8	-139.1	0	0	114.8	H31 K61 F63	H31-E33 PolarHBondContact O-N 2.93Å; H31-E33 VanDerWaalsContact O-N 3.13Å; E33-K61 VanDerWaalsContact O-CD 3.27Å; E33-K61 WeakPolarHBondContact O-CD 3.47Å; E33-K61 WeakPolarHBondContact O-CE 3.49Å; E33-K61 PolarHBondContact O-NZ 3.12Å; E33-K61 IonicContact OE2-NZ 2.68Å; E33-K61 PolarHBondContact OE2-NZ 3.34Å; E33-F63 VanDerWaalsContact C-CE1 3.47Å
34	G	90.9	Very high	75.6	Confident	13 Å²	13	68 Å²	68	13%	0.134	37%	0.373	C	S	.	.			trans	75.8	161.4	-170	0	0	0	0	0	113.1	H31 P32 I62 F63	H31-G34 PolarHBondContact O-N 2.75Å; P32-G34 VanDerWaalsContact C-N 3.33Å; G34-I62 CarbonylContact C-O 3.59Å; G34-I62 VanDerWaalsContact CA-O 3.26Å; G34-I62 WeakPolarHBondContact CA-O 3.06Å; G34-F63 VanDerWaalsContact N-CE1 3.34Å
35	I	94.4	Very high	78.4	Confident	7 Å²	7	73.1 Å²	73.1	4%	0.036	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-103.5	164.4	176.5	63.6	170.6	0	0	0	111.4	I28 H31 E39 A40 L43 Y44 I62	I28-I35 HydrophobicContact CD1-CD1 3.72Å; I28-I35 HydrophobicContact CD1-CG1 4.03Å; I28-I35 HydrophobicContact CG1-CD1 4.01Å; I28-I35 HydrophobicContact CG1-CG1 4.43Å; I28-I35 HydrophobicContact CG2-CG1 4.24Å; I28-I35 HydrophobicContact CG2-CG2 4.36Å; H31-I35 HydrophobicContact CB-CG2 3.9Å; I35-E39 HydrophobicContact CB-CG 4.43Å; I35-E39 HydrophobicContact CD1-CG 4.49Å; I35-A40 HydrophobicContact CD1-CB 3.75Å; I35-A40 HydrophobicContact CG1-CB 4.21Å; I35-L43 HydrophobicContact CD1-CD1 4.11Å; I35-Y44 HydrophobicContact CD1-CE2 3.79Å; I35-I62 HydrophobicContact CG1-CB 4.02Å; I35-I62 HydrophobicContact CG1-CG2 4.45Å; I35-I62 PolarHBondContact N-O 2.85Å; I35-I62 PolarHBondContact O-N 3.1Å
36	S	95	Very high	80.6	Confident	52 Å²	52	75.4 Å²	75.4	36%	0.364	39%	0.39	S	S	.	.			trans	-74.4	154.2	179.6	69.7	0	0	0	0	112.5	L38 E39 A40	S36-L38 VanDerWaalsContact C-N 3.34Å; S36-L38 PolarHBondContact O-N 3.15Å; S36-E39 PolarHBondContact N-OE2 3.01Å; S36-E39 VanDerWaalsContact N-OE2 3.1Å; S36-E39 WeakPolarHBondContact O-CB 3.27Å; S36-E39 PolarHBondContact O-N 3.01Å; S36-E39 WeakPolarHBondContact OG-CB 3.29Å; S36-E39 PolarHBondContact OG-N 2.8Å; S36-E39 PolarHBondContact OG-OE2 3.21Å; S36-E39 VanDerWaalsContact OG-OE2 3.08Å; S36-A40 WeakPolarHBondContact O-CB 3.39Å; S36-A40 PolarHBondContact O-N 3.28Å
37	P	94.5	Very high	82.8	Confident	23 Å²	23	71.8 Å²	71.8	15%	0.149	38%	0.383	C	S	.	.	H	α-helix	trans	-64.6	-35.1	-178.3	-23.3	33.9	0	0	0	113.7	A40 V41 L57 Y59 E60 I62	P37-A40 PolarHBondContact O-N 3Å; P37-V41 VanDerWaalsContact O-CG2 3.31Å; P37-V41 WeakPolarHBondContact O-CG2 3.41Å; P37-V41 PolarHBondContact O-N 3.13Å; P37-L57 HydrophobicContact CB-CD2 4.04Å; P37-Y59 WeakPolarHBondContact CG-O 3.37Å; P37-E60 WeakPolarHBondContact CD-O 3.36Å; P37-I62 HydrophobicContact CB-CG1 4.42Å; P37-I62 HydrophobicContact CG-CD1 4.44Å; P37-I62 HydrophobicContact CG-CG1 4.38Å
38	L	93.7	Very high	84.6	Confident	114 Å²	114	66.5 Å²	66.5	60%	0.597	36%	0.359	S	S	*	.	H	α-helix	trans	-69.8	-40.4	178.7	-177.4	61.2	0	0	0	111.3	S36 V41 N42	S36-L38 VanDerWaalsContact C-N 3.34Å; S36-L38 PolarHBondContact O-N 3.15Å; L38-V41 PolarHBondContact O-N 2.9Å; L38-N42 PolarHBondContact O-N 2.82Å; L38-N42 PolarHBondContact O-ND2 3.37Å
39	E	93.6	Very high	86	Confident	75 Å²	75	66.7 Å²	66.7	35%	0.35	36%	0.361	S	S	.	.	H	α-helix	trans	-64	-44.3	172.4	178.1	176.5	-152.2	0	0	111.7	I35 S36 V41 N42 L43	I35-E39 HydrophobicContact CB-CG 4.43Å; I35-E39 HydrophobicContact CD1-CG 4.49Å; S36-E39 PolarHBondContact N-OE2 3.01Å; S36-E39 VanDerWaalsContact N-OE2 3.1Å; S36-E39 WeakPolarHBondContact O-CB 3.27Å; S36-E39 PolarHBondContact O-N 3.01Å; S36-E39 WeakPolarHBondContact OG-CB 3.29Å; S36-E39 PolarHBondContact OG-N 2.8Å; S36-E39 PolarHBondContact OG-OE2 3.21Å; S36-E39 VanDerWaalsContact OG-OE2 3.08Å; E39-V41 VanDerWaalsContact C-N 3.33Å; E39-V41 PolarHBondContact O-N 3.42Å; E39-N42 PolarHBondContact O-N 2.91Å; E39-L43 HydrophobicContact CG-CD1 3.92Å; E39-L43 HydrophobicContact CG-CG 4.44Å; E39-L43 WeakPolarHBondContact O-CB 3.44Å; E39-L43 WeakPolarHBondContact O-CG 3.5Å; E39-L43 PolarHBondContact O-N 3.08Å
40	A	94	Very high	87.5	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-60.1	-40.6	173.7	0	0	0	0	0	112.5	I35 S36 P37 N42 Y44 I56 I62	I35-A40 HydrophobicContact CD1-CB 3.75Å; I35-A40 HydrophobicContact CG1-CB 4.21Å; S36-A40 WeakPolarHBondContact O-CB 3.39Å; S36-A40 PolarHBondContact O-N 3.28Å; P37-A40 PolarHBondContact O-N 3Å; A40-N42 VanDerWaalsContact C-N 3.3Å; A40-N42 PolarHBondContact O-N 3.1Å; A40-Y44 HydrophobicContact CB-CD2 4.41Å; A40-Y44 WeakPolarHBondContact O-CB 3.36Å; A40-Y44 WeakPolarHBondContact O-CD2 3.33Å; A40-Y44 PolarHBondContact O-N 2.92Å; A40-I56 HydrophobicContact CB-CD1 3.65Å; A40-I62 HydrophobicContact CB-CB 4.16Å; A40-I62 HydrophobicContact CB-CG1 3.92Å; A40-I62 HydrophobicContact CB-CG2 3.97Å
41	V	93.1	Very high	89	Confident	22 Å²	22	65.2 Å²	65.2	13%	0.133	34%	0.342	C	S	.	.	H	α-helix	trans	-65.4	-31.3	173.5	167.2	0	0	0	0	112.5	P37 L38 E39 R45 L48 I56 L57	P37-V41 VanDerWaalsContact O-CG2 3.31Å; P37-V41 WeakPolarHBondContact O-CG2 3.41Å; P37-V41 PolarHBondContact O-N 3.13Å; L38-V41 PolarHBondContact O-N 2.9Å; E39-V41 VanDerWaalsContact C-N 3.33Å; E39-V41 PolarHBondContact O-N 3.42Å; V41-R45 VanDerWaalsContact O-CA 3.26Å; V41-R45 WeakPolarHBondContact O-CA 3.35Å; V41-R45 WeakPolarHBondContact O-CB 3.42Å; V41-R45 WeakPolarHBondContact O-CG 3.44Å; V41-R45 PolarHBondContact O-N 2.93Å; V41-L48 HydrophobicContact CG2-CD1 4.34Å; V41-I56 HydrophobicContact CG2-CG2 3.32Å; V41-L57 HydrophobicContact CG2-CD2 4.1Å
42	N	91.9	Very high	90.2	Very high	108 Å²	108	60.9 Å²	60.9	58%	0.578	32%	0.322	S	S	*	.	H	α-helix	trans	-78.4	-43.3	177.3	-70.3	-27.4	0	0	0	112.3	L38 E39 A40	L38-N42 PolarHBondContact O-N 2.82Å; L38-N42 PolarHBondContact O-ND2 3.37Å; E39-N42 PolarHBondContact O-N 2.91Å; A40-N42 VanDerWaalsContact C-N 3.3Å; A40-N42 PolarHBondContact O-N 3.1Å
43	L	91.7	Very high	91	Very high	83 Å²	83	59.5 Å²	59.5	44%	0.435	30%	0.303	S	S	.	.	H	α-helix	trans	-73	-47.5	-178.6	-69.6	174.1	0	0	0	112.6	I35 E39	I35-L43 HydrophobicContact CD1-CD1 4.11Å; E39-L43 HydrophobicContact CG-CD1 3.92Å; E39-L43 HydrophobicContact CG-CG 4.44Å; E39-L43 WeakPolarHBondContact O-CB 3.44Å; E39-L43 WeakPolarHBondContact O-CG 3.5Å; E39-L43 PolarHBondContact O-N 3.08Å
44	Y	91.1	Very high	91.3	Very high	19 Å²	19	58.5 Å²	58.5	8%	0.075	30%	0.297	C	S	.	.	S	Bend	trans	-104.6	21.2	-172.5	-52.8	-71.2	0	0	0	112.6	Y26 I28 I35 A40 D46 S47 L48 V65 C67	Y26-Y44 WeakPolarHBondContact CB-OH 3.22Å; Y26-Y44 WeakPolarHBondContact O-CE1 3.44Å; Y26-Y44 PolarHBondContact O-OH 3.22Å; Y26-Y44 VanDerWaalsContact O-OH 3.12Å; I28-Y44 HydrophobicContact CD1-CD2 4.46Å; I28-Y44 HydrophobicContact CD1-CE2 3.71Å; I28-Y44 HydrophobicContact CG1-CE2 3.82Å; I28-Y44 WeakPolarHBondContact CG1-OH 3.26Å; I35-Y44 HydrophobicContact CD1-CE2 3.79Å; A40-Y44 HydrophobicContact CB-CD2 4.41Å; A40-Y44 WeakPolarHBondContact O-CB 3.36Å; A40-Y44 WeakPolarHBondContact O-CD2 3.33Å; A40-Y44 PolarHBondContact O-N 2.92Å; Y44-D46 VanDerWaalsContact C-N 3.26Å; Y44-D46 PolarHBondContact O-N 3.29Å; Y44-D46 VanDerWaalsContact O-N 3.11Å; Y44-S47 PolarHBondContact O-N 3.2Å; Y44-L48 WeakPolarHBondContact O-CG 3.46Å; Y44-L48 PolarHBondContact O-N 3.33Å; Y44-V65 HydrophobicContact CD2-CG2 3.96Å; Y44-V65 HydrophobicContact CE2-CG2 4.36Å; Y44-V65 HydrophobicContact CG-CG2 4.35Å; Y44-C67 WeakPolarHBondContact CD1-SG 2.97Å
45	R	88	Confident	91.5	Very high	145 Å²	145	58.5 Å²	58.5	55%	0.547	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-46.3	-50.5	-170.4	-159.4	179.5	-165.4	-174.3	5.1	112.4	V41 L48 R53	V41-R45 VanDerWaalsContact O-CA 3.26Å; V41-R45 WeakPolarHBondContact O-CA 3.35Å; V41-R45 WeakPolarHBondContact O-CB 3.42Å; V41-R45 WeakPolarHBondContact O-CG 3.44Å; V41-R45 PolarHBondContact O-N 2.93Å; R45-L48 PolarHBondContact O-N 3.23Å; R45-R53 PolarHBondContact O-NE 3.33Å; R45-R53 PolarHBondContact O-NH2 3.01Å
46	D	87	Confident	91.5	Very high	129 Å²	129	58.1 Å²	58.1	69%	0.69	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-85.8	-11.1	-172	-59.9	-34.9	0	0	0	113.8	Y44 R53	Y44-D46 VanDerWaalsContact C-N 3.26Å; Y44-D46 PolarHBondContact O-N 3.29Å; Y44-D46 VanDerWaalsContact O-N 3.11Å; D46-R53 IonicContact OD1-NH2 2.66Å; D46-R53 PolarHBondContact OD1-NH2 3.44Å
47	S	87.8	Confident	91.5	Very high	46 Å²	46	60.4 Å²	60.4	32%	0.322	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-88.2	-16.5	166.8	-52.9	0	0	0	0	113.2	Y44	Y44-S47 PolarHBondContact O-N 3.2Å
48	L	89.7	Confident	91.5	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.005	33%	0.33	C	S	.	.	S	Bend	trans	-88.5	126.2	178.3	-73.7	162.5	0	0	0	111.2	V41 Y44 R45 E52 R53 I56 V65 Y135	V41-L48 HydrophobicContact CG2-CD1 4.34Å; Y44-L48 WeakPolarHBondContact O-CG 3.46Å; Y44-L48 PolarHBondContact O-N 3.33Å; R45-L48 PolarHBondContact O-N 3.23Å; L48-E52 HydrophobicContact CB-CB 4.45Å; L48-E52 HydrophobicContact CD2-CB 3.67Å; L48-R53 HydrophobicContact CB-CG 3.74Å; L48-R53 PolarHBondContact O-NE 2.83Å; L48-I56 HydrophobicContact CD1-CD1 4.28Å; L48-I56 HydrophobicContact CD2-CD1 4.18Å; L48-V65 HydrophobicContact CD2-CG1 3.48Å; L48-V65 VanDerWaalsContact CD2-CG1 3.48Å; L48-V65 HydrophobicContact CG-CG1 4.1Å; L48-Y135 HydrophobicContact CD2-CE1 4.39Å
49	S	88.2	Confident	91.6	Very high	15 Å²	15	66.9 Å²	66.9	11%	0.105	31%	0.313	C	S	.	.			trans	-64.3	161.9	171.3	71.5	0	0	0	0	112.4	H51 E52 R53	S49-H51 PolarHBondContact O-N 3.12Å; S49-H51 VanDerWaalsContact O-N 3.11Å; S49-E52 WeakPolarHBondContact CB-OE2 3.44Å; S49-E52 PolarHBondContact N-OE2 3.1Å; S49-E52 PolarHBondContact O-N 3.34Å; S49-E52 VanDerWaalsContact O-N 3.11Å; S49-E52 WeakPolarHBondContact OG-CG 3.37Å; S49-E52 PolarHBondContact OG-N 3.34Å; S49-E52 PolarHBondContact OG-OE2 2.87Å; S49-R53 VanDerWaalsContact O-CG 3.32Å; S49-R53 WeakPolarHBondContact O-CG 3.37Å; S49-R53 PolarHBondContact O-N 2.63Å
50	L	86	Confident	91.6	Very high	111 Å²	111	71.1 Å²	71.1	58%	0.581	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-22.6	176.5	-79	165	0	0	0	114.1	M82	L50-M82 HydrophobicContact CD1-CE 3.73Å; L50-M82 HydrophobicContact CD1-SD 4.31Å
51	H	89.5	Confident	91.6	Very high	66 Å²	66	74.7 Å²	74.7	31%	0.306	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-52.4	172.2	-172.1	97.7	0	0	0	110.7	S49 R53 K54 E55 F118	S49-H51 PolarHBondContact O-N 3.12Å; S49-H51 VanDerWaalsContact O-N 3.11Å; H51-R53 VanDerWaalsContact C-N 3.32Å; H51-R53 PolarHBondContact O-N 3.46Å; H51-K54 PolarHBondContact O-N 3.13Å; H51-E55 IonicContact CD2-OE2 3.52Å; H51-E55 IonicContact NE2-OE1 2.67Å; H51-E55 PolarHBondContact O-N 3.37Å; H51-F118 AromaticContact CD2-CZ 3.71Å; H51-F118 AromaticContact CE1-CE2 3.76Å; H51-F118 AromaticContact CG-CZ 3.88Å; H51-F118 AromaticContact ND1-CE2 3.99Å; H51-F118 AromaticContact NE2-CE2 3.8Å; H51-F118 AromaticContact NE2-CZ 3.93Å
52	E	93.2	Very high	91.8	Very high	5 Å²	5	73.6 Å²	73.6	2%	0.023	34%	0.342	C	S	.	.	H	α-helix	trans	-61.3	-38.9	-177.2	-66.9	161.7	116.5	0	0	111.9	L48 S49 K54 E55 I56 K71 H132 Y135 R216	L48-E52 HydrophobicContact CB-CB 4.45Å; L48-E52 HydrophobicContact CD2-CB 3.67Å; S49-E52 WeakPolarHBondContact CB-OE2 3.44Å; S49-E52 PolarHBondContact N-OE2 3.1Å; S49-E52 PolarHBondContact O-N 3.34Å; S49-E52 VanDerWaalsContact O-N 3.11Å; S49-E52 WeakPolarHBondContact OG-CG 3.37Å; S49-E52 PolarHBondContact OG-N 3.34Å; S49-E52 PolarHBondContact OG-OE2 2.87Å; E52-K54 PolarHBondContact O-N 3.37Å; E52-E55 PolarHBondContact O-N 2.91Å; E52-E55 VanDerWaalsContact O-N 3.1Å; E52-I56 VanDerWaalsContact O-CB 3.25Å; E52-I56 WeakPolarHBondContact O-CB 3.38Å; E52-I56 WeakPolarHBondContact O-CG2 3.46Å; E52-I56 PolarHBondContact O-N 2.86Å; E52-K71 IonicContact OE1-NZ 3.36Å; E52-K71 PolarHBondContact OE1-NZ 2.72Å; E52-H132 IonicContact OE1-CE1 2.78Å; E52-H132 PolarHBondContact OE1-CE1 2.91Å; E52-H132 IonicContact OE1-ND1 2.8Å; E52-Y135 WeakPolarHBondContact CA-OH 3.37Å; E52-Y135 WeakPolarHBondContact CB-OH 3.5Å; E52-Y135 WeakPolarHBondContact CG-OH 3.44Å; E52-R216 IonicContact OE1-NH2 3.64Å
53	R	91.6	Very high	92	Very high	74 Å²	74	69.3 Å²	69.3	28%	0.279	32%	0.318	S	S	.	.	H	α-helix	trans	-54.7	-17.8	173.2	-69.4	174.9	-172.9	-164.6	-2.4	114.3	R45 D46 L48 S49 H51	R45-R53 PolarHBondContact O-NE 3.33Å; R45-R53 PolarHBondContact O-NH2 3.01Å; D46-R53 IonicContact OD1-NH2 2.66Å; D46-R53 PolarHBondContact OD1-NH2 3.44Å; L48-R53 HydrophobicContact CB-CG 3.74Å; L48-R53 PolarHBondContact O-NE 2.83Å; S49-R53 VanDerWaalsContact O-CG 3.32Å; S49-R53 WeakPolarHBondContact O-CG 3.37Å; S49-R53 PolarHBondContact O-N 2.63Å; H51-R53 VanDerWaalsContact C-N 3.32Å; H51-R53 PolarHBondContact O-N 3.46Å
54	K	91.8	Very high	92.1	Very high	120 Å²	120	66.3 Å²	66.3	52%	0.522	30%	0.301	S	S	.	.	H	α-helix	trans	-106.1	-37.1	172.8	-62.4	178.9	-178.5	175.8	0	112.9	H51 E52	H51-K54 PolarHBondContact O-N 3.13Å; E52-K54 PolarHBondContact O-N 3.37Å
55	E	94.9	Very high	92.3	Very high	13 Å²	13	65.6 Å²	65.6	6%	0.061	30%	0.299	C	S	.	.	H	α-helix	trans	-68.7	-40.5	-178.6	-176.1	-167.6	-139.3	0	0	111.9	H51 E52 L57 R58 Y59 Y135 R216	H51-E55 IonicContact CD2-OE2 3.52Å; H51-E55 IonicContact NE2-OE1 2.67Å; H51-E55 PolarHBondContact O-N 3.37Å; E52-E55 PolarHBondContact O-N 2.91Å; E52-E55 VanDerWaalsContact O-N 3.1Å; E55-L57 PolarHBondContact O-N 3.21Å; E55-R58 VanDerWaalsContact O-CB 3.29Å; E55-R58 WeakPolarHBondContact O-CB 3.39Å; E55-R58 WeakPolarHBondContact O-CG 3.34Å; E55-R58 PolarHBondContact O-N 2.94Å; E55-Y59 HydrophobicContact CG-CE2 4.19Å; E55-Y59 WeakPolarHBondContact O-CD2 3.43Å; E55-Y135 HydrophobicContact CG-CE2 4.12Å; E55-Y135 PolarHBondContact OE2-OH 3.32Å; E55-R216 WeakPolarHBondContact OE1-CG 3.43Å; E55-R216 IonicContact OE1-CZ 2.69Å; E55-R216 IonicContact OE1-NE 3.36Å; E55-R216 PolarHBondContact OE1-NE 3.26Å; E55-R216 IonicContact OE1-NH2 2.69Å; E55-R216 IonicContact OE2-CZ 3.29Å; E55-R216 IonicContact OE2-NE 2.83Å; E55-R216 PolarHBondContact OE2-NE 3.41Å; E55-R216 IonicContact OE2-NH2 3.21Å; E55-R216 PolarHBondContact OE2-NH2 2.93Å
56	I	95.3	Very high	92.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-57.1	-33.3	-179.3	-164.4	169.4	0	0	0	112.8	A40 V41 L48 E52 R58 Y59 I62 Y135	A40-I56 HydrophobicContact CB-CD1 3.65Å; V41-I56 HydrophobicContact CG2-CG2 3.32Å; L48-I56 HydrophobicContact CD1-CD1 4.28Å; L48-I56 HydrophobicContact CD2-CD1 4.18Å; E52-I56 VanDerWaalsContact O-CB 3.25Å; E52-I56 WeakPolarHBondContact O-CB 3.38Å; E52-I56 WeakPolarHBondContact O-CG2 3.46Å; E52-I56 PolarHBondContact O-N 2.86Å; I56-R58 PolarHBondContact O-N 3.13Å; I56-Y59 PolarHBondContact O-N 3.48Å; I56-Y59 VanDerWaalsContact O-N 3.14Å; I56-I62 HydrophobicContact CD1-CD1 4.11Å; I56-I62 HydrophobicContact CD1-CG1 4.14Å; I56-I62 HydrophobicContact CD1-CG2 4.33Å; I56-I62 HydrophobicContact CG1-CD1 3.46Å; I56-I62 VanDerWaalsContact CG1-CD1 3.46Å; I56-I62 HydrophobicContact CG1-CG1 3.97Å; I56-Y135 HydrophobicContact CB-CD1 4.25Å; I56-Y135 HydrophobicContact CB-CE1 3.65Å; I56-Y135 HydrophobicContact CB-CE2 4.33Å; I56-Y135 HydrophobicContact CD1-CD1 3.76Å; I56-Y135 HydrophobicContact CD1-CE1 3.69Å; I56-Y135 HydrophobicContact CG1-CD1 3.66Å; I56-Y135 HydrophobicContact CG1-CE1 3.56Å; I56-Y135 HydrophobicContact CG1-CG 4.2Å
57	L	94.9	Very high	92.5	Very high	100 Å²	100	54.5 Å²	54.5	52%	0.524	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-69.2	-1.2	178.5	-57.2	178.5	0	0	0	113.8	P37 V41 E55	P37-L57 HydrophobicContact CB-CD2 4.04Å; V41-L57 HydrophobicContact CG2-CD2 4.1Å; E55-L57 PolarHBondContact O-N 3.21Å
58	R	94.5	Very high	92.2	Very high	214 Å²	214	56.8 Å²	56.8	81%	0.808	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-96.8	-8	174.8	-57.7	178	173.3	-171.5	-5.5	113.5	E55 I56	E55-R58 VanDerWaalsContact O-CB 3.29Å; E55-R58 WeakPolarHBondContact O-CB 3.39Å; E55-R58 WeakPolarHBondContact O-CG 3.34Å; E55-R58 PolarHBondContact O-N 2.94Å; I56-R58 PolarHBondContact O-N 3.13Å
59	Y	95.2	Very high	91.9	Very high	58 Å²	58	58 Å²	58	23%	0.227	27%	0.273	C	S	.	.	S	Bend	trans	-99.9	148.7	177.6	-63.8	-96.3	0	0	0	108.7	P37 E55 I56 A134 Y135 F215	P37-Y59 WeakPolarHBondContact CG-O 3.37Å; E55-Y59 HydrophobicContact CG-CE2 4.19Å; E55-Y59 WeakPolarHBondContact O-CD2 3.43Å; I56-Y59 PolarHBondContact O-N 3.48Å; I56-Y59 VanDerWaalsContact O-N 3.14Å; Y59-A134 HydrophobicContact CE1-CB 3.84Å; Y59-Y135 HydrophobicContact CD1-CD2 4.29Å; Y59-Y135 AromaticContact CD2-CD2 3.45Å; Y59-Y135 HydrophobicContact CD2-CD2 3.45Å; Y59-Y135 VanDerWaalsContact CD2-CD2 3.45Å; Y59-Y135 AromaticContact CD2-CE2 3.75Å; Y59-Y135 HydrophobicContact CD2-CE2 3.75Å; Y59-Y135 HydrophobicContact CD2-CG 4.47Å; Y59-Y135 HydrophobicContact CE1-CD2 4.32Å; Y59-Y135 AromaticContact CE2-CD2 3.51Å; Y59-Y135 HydrophobicContact CE2-CD2 3.51Å; Y59-Y135 AromaticContact CE2-CE2 3.53Å; Y59-Y135 HydrophobicContact CE2-CE2 3.53Å; Y59-Y135 AromaticContact CG-CD2 3.89Å; Y59-Y135 HydrophobicContact CG-CD2 3.89Å; Y59-Y135 AromaticContact CZ-CD2 3.97Å; Y59-F215 WeakPolarHBondContact OH-CD2 3.35Å
60	E	94	Very high	91.2	Very high	164 Å²	164	62.3 Å²	62.3	77%	0.766	30%	0.295	S	S	*	.	S	Bend	trans	-79.3	-44.5	-179.4	-170.6	-165.4	134.1	0	0	111.9	P37	P37-E60 WeakPolarHBondContact CD-O 3.36Å
61	K	94.9	Very high	90.7	Very high	75 Å²	75	57.5 Å²	57.5	33%	0.326	27%	0.269	S	S	.	.			trans	-132.8	138.7	-176.3	-74	178.4	156.5	-142.7	0	110.2	E33 F63	E33-K61 VanDerWaalsContact O-CD 3.27Å; E33-K61 WeakPolarHBondContact O-CD 3.47Å; E33-K61 WeakPolarHBondContact O-CE 3.49Å; E33-K61 PolarHBondContact O-NZ 3.12Å; E33-K61 IonicContact OE2-NZ 2.68Å; E33-K61 PolarHBondContact OE2-NZ 3.34Å; K61-F63 HydrophobicContact CB-CE2 3.69Å; K61-F63 HydrophobicContact CB-CZ 3.91Å; K61-F63 HydrophobicContact CD-CZ 4.35Å
62	I	96.1	Very high	89	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-109.9	125.6	-178.3	-52.4	-53	0	0	0	108.4	I28 G34 I35 P37 A40 I56 V65 Y135	I28-I62 HydrophobicContact CD1-CG2 3.79Å; I28-I62 WeakPolarHBondContact CG2-O 3.26Å; G34-I62 CarbonylContact C-O 3.59Å; G34-I62 VanDerWaalsContact CA-O 3.26Å; G34-I62 WeakPolarHBondContact CA-O 3.06Å; I35-I62 HydrophobicContact CG1-CB 4.02Å; I35-I62 HydrophobicContact CG1-CG2 4.45Å; I35-I62 PolarHBondContact N-O 2.85Å; I35-I62 PolarHBondContact O-N 3.1Å; P37-I62 HydrophobicContact CB-CG1 4.42Å; P37-I62 HydrophobicContact CG-CD1 4.44Å; P37-I62 HydrophobicContact CG-CG1 4.38Å; A40-I62 HydrophobicContact CB-CB 4.16Å; A40-I62 HydrophobicContact CB-CG1 3.92Å; A40-I62 HydrophobicContact CB-CG2 3.97Å; I56-I62 HydrophobicContact CD1-CD1 4.11Å; I56-I62 HydrophobicContact CD1-CG1 4.14Å; I56-I62 HydrophobicContact CD1-CG2 4.33Å; I56-I62 HydrophobicContact CG1-CD1 3.46Å; I56-I62 VanDerWaalsContact CG1-CD1 3.46Å; I56-I62 HydrophobicContact CG1-CG1 3.97Å; I62-V65 HydrophobicContact CG2-CG2 3.96Å; I62-Y135 HydrophobicContact CD1-CD1 4.4Å; I62-Y135 HydrophobicContact CD1-CG 4.08Å
63	F	95.7	Very high	87.1	Confident	18 Å²	18	61.5 Å²	61.5	8%	0.079	30%	0.296	C	S	.	.			trans	-116.7	-23	179.6	-56.7	-93.7	0	0	0	112.9	I28 E33 G34 K61 Y135 R136 H157 M158	I28-F63 WeakPolarHBondContact CB-O 3.31Å; I28-F63 WeakPolarHBondContact CG2-O 3.23Å; E33-F63 VanDerWaalsContact C-CE1 3.47Å; G34-F63 VanDerWaalsContact N-CE1 3.34Å; K61-F63 HydrophobicContact CB-CE2 3.69Å; K61-F63 HydrophobicContact CB-CZ 3.91Å; K61-F63 HydrophobicContact CD-CZ 4.35Å; F63-Y135 PolarHBondContact N-O 3.22Å; F63-R136 HydrophobicContact CB-CB 4.3Å; F63-R136 HydrophobicContact CB-CG 4.3Å; F63-R136 HydrophobicContact CD2-CB 4.12Å; F63-R136 HydrophobicContact CD2-CG 4.12Å; F63-R136 HydrophobicContact CG-CG 4.43Å; F63-H157 HydrophobicContact CB-CB 3.98Å; F63-M158 HydrophobicContact CD1-CB 3.78Å; F63-M158 HydrophobicContact CD1-CG 4.05Å; F63-M158 HydrophobicContact CD2-CB 4.25Å; F63-M158 HydrophobicContact CE1-CB 3.79Å; F63-M158 HydrophobicContact CE1-CG 3.51Å; F63-M158 HydrophobicContact CE1-SD 4.34Å; F63-M158 HydrophobicContact CE2-CB 4.27Å; F63-M158 HydrophobicContact CE2-CG 4.15Å; F63-M158 HydrophobicContact CE2-SD 4.03Å; F63-M158 HydrophobicContact CG-CB 4.02Å; F63-M158 HydrophobicContact CZ-CB 4.05Å; F63-M158 HydrophobicContact CZ-CG 3.57Å; F63-M158 HydrophobicContact CZ-SD 3.76Å
64	Y	95.5	Very high	85.2	Confident	19 Å²	19	59.3 Å²	59.3	8%	0.075	29%	0.289	C	S	.	.			trans	-155.3	144.7	178.3	-170	-104.2	0	0	0	112.2	G66 H130 H132 Y135 E138 H157	Y64-G66 VanDerWaalsContact CE1-CA 3.43Å; Y64-G66 VanDerWaalsContact CE1-N 3.28Å; Y64-H130 PolarHBondContact OH-O 3.33Å; Y64-H130 VanDerWaalsContact OH-O 3.12Å; Y64-H132 HydrophobicContact CD1-CB 3.78Å; Y64-H132 HydrophobicContact CE1-CB 4.41Å; Y64-Y135 PolarHBondContact N-O 2.64Å; Y64-Y135 CarbonylContact O-C 3.6Å; Y64-Y135 WeakPolarHBondContact O-CA 3.46Å; Y64-Y135 VanDerWaalsContact O-O 3.12Å; Y64-E138 HydrophobicContact CD1-CB 3.84Å; Y64-E138 HydrophobicContact CD1-CG 4.43Å; Y64-E138 HydrophobicContact CD2-CB 4.41Å; Y64-E138 HydrophobicContact CE1-CB 3.59Å; Y64-E138 HydrophobicContact CE1-CG 3.67Å; Y64-E138 HydrophobicContact CE2-CB 4.15Å; Y64-E138 HydrophobicContact CE2-CG 4.21Å; Y64-E138 WeakPolarHBondContact CE2-OE2 3.41Å; Y64-E138 HydrophobicContact CG-CB 4.25Å; Y64-E138 VanDerWaalsContact CZ-CD 3.43Å; Y64-E138 VanDerWaalsContact CZ-OE2 3.32Å; Y64-E138 WeakPolarHBondContact OH-CG 3.46Å; Y64-E138 PolarHBondContact OH-OE1 3.2Å; Y64-E138 PolarHBondContact OH-OE2 3.13Å; Y64-H157 AromaticContact CD2-CD2 3.43Å; Y64-H157 VanDerWaalsContact CD2-CD2 3.43Å; Y64-H157 WeakPolarHBondContact CD2-CD2 3.29Å; Y64-H157 AromaticContact CD2-CE1 3.59Å; Y64-H157 AromaticContact CD2-CG 3.98Å; Y64-H157 AromaticContact CD2-NE2 3.15Å; Y64-H157 WeakPolarHBondContact CD2-NE2 3.5Å; Y64-H157 AromaticContact CE2-CE1 3.9Å; Y64-H157 AromaticContact CE2-NE2 3.45Å; Y64-H157 WeakPolarHBondContact CE2-NE2 3.43Å; Y64-H157 AromaticContact CG-CD2 3.57Å; Y64-H157 AromaticContact CG-NE2 3.74Å
65	V	94.2	Very high	82.9	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.024	28%	0.277	C	S	.	.			trans	-123.8	-23.8	-176.2	-164.1	0	0	0	0	113.6	I28 Y44 L48 I62 K71 H132	I28-V65 HydrophobicContact CD1-CG2 3.56Å; Y44-V65 HydrophobicContact CD2-CG2 3.96Å; Y44-V65 HydrophobicContact CE2-CG2 4.36Å; Y44-V65 HydrophobicContact CG-CG2 4.35Å; L48-V65 HydrophobicContact CD2-CG1 3.48Å; L48-V65 VanDerWaalsContact CD2-CG1 3.48Å; L48-V65 HydrophobicContact CG-CG1 4.1Å; I62-V65 HydrophobicContact CG2-CG2 3.96Å; V65-K71 WeakPolarHBondContact O-CE 3.46Å; V65-K71 PolarHBondContact O-NZ 3.31Å; V65-H132 PolarHBondContact O-ND1 2.83Å
66	G	93.1	Very high	80.1	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.01	30%	0.304	C	S	.	.			trans	77.6	38.9	-176.2	0	0	0	0	0	114.1	Y64 T68 V69 K71 H130	Y64-G66 VanDerWaalsContact CE1-CA 3.43Å; Y64-G66 VanDerWaalsContact CE1-N 3.28Å; G66-T68 PolarHBondContact O-N 2.74Å; G66-T68 VanDerWaalsContact O-N 3.09Å; G66-V69 PolarHBondContact O-N 3.5Å; G66-K71 WeakPolarHBondContact O-CE 3.4Å; G66-H130 VanDerWaalsContact CA-O 3.3Å; G66-H130 WeakPolarHBondContact CA-O 3.3Å
67	C	87	Confident	77.4	Confident	40 Å²	40	66 Å²	66	27%	0.27	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-10.7	-174.7	-55.1	0	0	0	0	115	Y44 V69	Y44-C67 WeakPolarHBondContact CD1-SG 2.97Å; C67-V69 VanDerWaalsContact C-N 3.32Å
68	T	81.5	Confident	74.6	Confident	94 Å²	94	63.3 Å²	63.3	58%	0.577	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	0.4	179	46.1	0	0	0	0	113.7	G66	G66-T68 PolarHBondContact O-N 2.74Å; G66-T68 VanDerWaalsContact O-N 3.09Å
69	V	82	Confident	71.8	Confident	27 Å²	27	60.6 Å²	60.6	16%	0.164	33%	0.328	C	S	.	.	S	Bend	trans	-117	134.7	-168.9	177.3	0	0	0	0	111.9	G66 C67 K71 I128 Q129 H130	G66-V69 PolarHBondContact O-N 3.5Å; C67-V69 VanDerWaalsContact C-N 3.32Å; V69-K71 VanDerWaalsContact C-N 3.34Å; V69-K71 HydrophobicContact CG1-CG 4.41Å; V69-K71 PolarHBondContact O-N 2.8Å; V69-I128 HydrophobicContact CG1-CG2 3.43Å; V69-I128 VanDerWaalsContact CG1-CG2 3.43Å; V69-Q129 VanDerWaalsContact CG2-O 3.31Å; V69-Q129 WeakPolarHBondContact CG2-O 3.31Å; V69-H130 VanDerWaalsContact CG2-C 3.45Å; V69-H130 HydrophobicContact CG2-CB 3.72Å; V69-H130 WeakPolarHBondContact CG2-O 3.17Å
70	D	74.5	Confident	69	Low	106 Å²	106	67.6 Å²	67.6	57%	0.567	36%	0.36	S	S	*	.			trans	-76	84.3	169.9	-178.1	15.2	0	0	0	112.3	H72 S73	D70-H72 PolarHBondContact O-N 3.05Å; D70-H72 WeakPolarHBondContact OD1-CA 3.48Å; D70-H72 VanDerWaalsContact OD1-CB 3.3Å; D70-H72 WeakPolarHBondContact OD1-CB 3.48Å; D70-H72 IonicContact OD1-CD2 2.89Å; D70-H72 IonicContact OD1-CG 3.78Å; D70-H72 PolarHBondContact OD1-N 2.88Å; D70-S73 PolarHBondContact O-OG 3.15Å
71	K	74.4	Confident	66.4	Low	10 Å²	10	62.1 Å²	62.1	4%	0.043	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-19.6	171.9	-61.8	149.7	179.4	-75.8	0	112.9	E52 V65 G66 V69 S73 M74 D131	E52-K71 IonicContact OE1-NZ 3.36Å; E52-K71 PolarHBondContact OE1-NZ 2.72Å; V65-K71 WeakPolarHBondContact O-CE 3.46Å; V65-K71 PolarHBondContact O-NZ 3.31Å; G66-K71 WeakPolarHBondContact O-CE 3.4Å; V69-K71 VanDerWaalsContact C-N 3.34Å; V69-K71 HydrophobicContact CG1-CG 4.41Å; V69-K71 PolarHBondContact O-N 2.8Å; K71-S73 VanDerWaalsContact C-N 3.27Å; K71-S73 PolarHBondContact O-N 2.85Å; K71-M74 PolarHBondContact O-N 2.95Å; K71-D131 IonicContact NZ-OD1 3.47Å; K71-D131 PolarHBondContact NZ-OD1 2.92Å
72	H	55.4	Low	63.8	Low	80 Å²	80	61.5 Å²	61.5	37%	0.37	34%	0.339	S	S	.	.	H	α-helix	trans	-72	-23.9	-172.1	-62.9	-73.8	0	0	0	113	D70 M74 S75 N76	D70-H72 PolarHBondContact O-N 3.05Å; D70-H72 WeakPolarHBondContact OD1-CA 3.48Å; D70-H72 VanDerWaalsContact OD1-CB 3.3Å; D70-H72 WeakPolarHBondContact OD1-CB 3.48Å; D70-H72 IonicContact OD1-CD2 2.89Å; D70-H72 IonicContact OD1-CG 3.78Å; D70-H72 PolarHBondContact OD1-N 2.88Å; H72-M74 PolarHBondContact O-N 3.43Å; H72-M74 VanDerWaalsContact O-N 3.15Å; H72-S75 WeakPolarHBondContact CA-OG 3.4Å; H72-S75 PolarHBondContact O-N 2.93Å; H72-S75 PolarHBondContact O-OG 3.18Å; H72-N76 PolarHBondContact O-N 3.1Å
73	S	52.3	Low	61	Low	74 Å²	74	68.7 Å²	68.7	52%	0.517	37%	0.372	S	S	.	.	H	α-helix	trans	-46.5	-38	169.1	60.2	0	0	0	0	113.6	D70 K71	D70-S73 PolarHBondContact O-OG 3.15Å; K71-S73 VanDerWaalsContact C-N 3.27Å; K71-S73 PolarHBondContact O-N 2.85Å
74	M	51.2	Low	58.5	Low	29 Å²	29	76.1 Å²	76.1	14%	0.143	41%	0.405	C	S	.	.	H	α-helix	trans	-72.5	-37.1	176.2	-55.7	-178	77.6	0	0	112.8	K71 H72 N76 M117 F118 R126 I128	K71-M74 PolarHBondContact O-N 2.95Å; H72-M74 PolarHBondContact O-N 3.43Å; H72-M74 VanDerWaalsContact O-N 3.15Å; M74-N76 PolarHBondContact O-N 2.69Å; M74-M117 HydrophobicContact CB-CG 4.17Å; M74-M117 WeakPolarHBondContact CE-O 3.38Å; M74-F118 HydrophobicContact CE-CD1 3.73Å; M74-F118 HydrophobicContact CE-CE1 4.37Å; M74-R126 HydrophobicContact CE-CB 4.31Å; M74-I128 HydrophobicContact CG-CD1 4.06Å; M74-I128 HydrophobicContact SD-CD1 3.5Å; M74-I128 WeakPolarHBondContact SD-CD1 3.18Å
75	S	43.9	Very low	55.9	Low	38 Å²	38	79.2 Å²	79.2	27%	0.266	42%	0.419	S	S	.	.	H	α-helix	trans	-74.3	-22.8	-173.4	66.3	0	0	0	0	114.4	H72 C77 S78	H72-S75 WeakPolarHBondContact CA-OG 3.4Å; H72-S75 PolarHBondContact O-N 2.93Å; H72-S75 PolarHBondContact O-OG 3.18Å; S75-C77 PolarHBondContact O-N 3.04Å; S75-C77 VanDerWaalsContact O-N 3.09Å; S75-S78 PolarHBondContact O-N 3.36Å; S75-S78 PolarHBondContact O-OG 3.21Å
76	N	36.1	Very low	53.2	Low	117 Å²	117	82.9 Å²	82.9	63%	0.626	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-66	-10.9	-178	-77.4	-25.3	0	0	0	114.6	H72 M74 S78	H72-N76 PolarHBondContact O-N 3.1Å; M74-N76 PolarHBondContact O-N 2.69Å; N76-S78 PolarHBondContact O-N 3.27Å
77	C	38.3	Very low	50.6	Low	119 Å²	119	88.4 Å²	88.4	80%	0.804	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-69.6	-5.7	173	-161	0	0	0	0	114	S75	S75-C77 PolarHBondContact O-N 3.04Å; S75-C77 VanDerWaalsContact O-N 3.09Å
78	S	37	Very low	48.4	Very low	42 Å²	42	91.5 Å²	91.5	29%	0.294	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-120.9	12.1	-162.3	70.5	0	0	0	0	117.2	S75 N76 F80 S81 M82	S75-S78 PolarHBondContact O-N 3.36Å; S75-S78 PolarHBondContact O-OG 3.21Å; N76-S78 PolarHBondContact O-N 3.27Å; S78-F80 PolarHBondContact O-N 2.78Å; S78-F80 VanDerWaalsContact O-N 3.1Å; S78-S81 PolarHBondContact O-N 3.37Å; S78-M82 PolarHBondContact O-N 3.34Å
79	Q	36.2	Very low	46.4	Very low	158 Å²	158	91 Å²	91	74%	0.738	47%	0.471	S	S	*	.	H	α-helix	trans	-54.7	-33.5	-177.8	-92.5	-169.4	-10	0	0	114.3
80	F	35.8	Very low	44.2	Very low	204 Å²	204	93.8 Å²	93.8	90%	0.895	49%	0.491	S	S	*	.	H	α-helix	trans	-73.9	-24.5	176	-101.6	-89.4	0	0	0	114.3	S78	S78-F80 PolarHBondContact O-N 2.78Å; S78-F80 VanDerWaalsContact O-N 3.1Å
81	S	39.3	Very low	42.4	Very low	50 Å²	50	95.9 Å²	95.9	35%	0.35	50%	0.498	S	S	.	.	H	α-helix	trans	-82.4	-38.1	179.8	-167	0	0	0	0	111.7	S78 Q83 K84	S78-S81 PolarHBondContact O-N 3.37Å; S81-Q83 VanDerWaalsContact C-N 3.29Å; S81-Q83 PolarHBondContact O-N 3.46Å; S81-Q83 VanDerWaalsContact O-N 3.16Å; S81-K84 PolarHBondContact O-N 2.89Å
82	M	39.3	Very low	40.4	Very low	62 Å²	62	105.4 Å²	105.4	31%	0.305	54%	0.535	S	S	.	.	H	α-helix	trans	-56.3	-31.8	-176.8	-83.1	-69.3	-66.1	0	0	115.2	L50 S78 K84 F85 N86	L50-M82 HydrophobicContact CD1-CE 3.73Å; L50-M82 HydrophobicContact CD1-SD 4.31Å; S78-M82 PolarHBondContact O-N 3.34Å; M82-K84 PolarHBondContact O-N 2.82Å; M82-F85 PolarHBondContact O-N 3.06Å; M82-N86 PolarHBondContact O-N 2.96Å; M82-N86 VanDerWaalsContact O-N 3.08Å
83	Q	38.6	Very low	39.3	Very low	150 Å²	150	105.9 Å²	105.9	70%	0.701	55%	0.547	S	S	*	.	H	α-helix	trans	-66.8	-32.2	-179.6	-74	-170	-10	0	0	113.4	S81	S81-Q83 VanDerWaalsContact C-N 3.29Å; S81-Q83 PolarHBondContact O-N 3.46Å; S81-Q83 VanDerWaalsContact O-N 3.16Å
84	K	43.8	Very low	38.3	Very low	174 Å²	174	109.5 Å²	109.5	76%	0.757	56%	0.561	S	S	*	*	H	α-helix	trans	-68.3	-40.7	172.2	-83	-174.3	174.4	179.6	0	111.5	S81 M82 N87 Q88	S81-K84 PolarHBondContact O-N 2.89Å; M82-K84 PolarHBondContact O-N 2.82Å; K84-N87 PolarHBondContact O-N 2.89Å; K84-Q88 PolarHBondContact O-N 3.49Å
85	F	39.7	Very low	37.3	Very low	84 Å²	84	117 Å²	117	37%	0.368	60%	0.595	S	S	.	*	H	α-helix	trans	-70.7	-40.6	-174.9	-160.5	-100.1	0	0	0	112.9	M82 N87 Q88 I89	M82-F85 PolarHBondContact O-N 3.06Å; F85-N87 VanDerWaalsContact C-N 3.28Å; F85-N87 PolarHBondContact O-N 3.01Å; F85-Q88 PolarHBondContact O-N 3.41Å; F85-Q88 VanDerWaalsContact O-N 3.13Å; F85-I89 HydrophobicContact CD1-CD1 3.96Å; F85-I89 HydrophobicContact CD1-CG1 4.34Å; F85-I89 HydrophobicContact CE1-CD1 3.81Å; F85-I89 HydrophobicContact CE1-CG1 4.06Å; F85-I89 PolarHBondContact O-N 3.39Å
86	N	37.2	Very low	36.7	Very low	82 Å²	82	125.1 Å²	125.1	44%	0.439	63%	0.626	S	S	.	*	H	α-helix	trans	-63.5	-32.9	176.7	-77.1	-5.8	0	0	0	112.7	M82 Q88 I89 S90	M82-N86 PolarHBondContact O-N 2.96Å; M82-N86 VanDerWaalsContact O-N 3.08Å; N86-Q88 VanDerWaalsContact C-N 3.3Å; N86-Q88 PolarHBondContact O-N 3.48Å; N86-I89 PolarHBondContact O-N 3.45Å; N86-S90 PolarHBondContact O-N 2.99Å; N86-S90 PolarHBondContact O-OG 3.22Å
87	N	38.7	Very low	36.5	Very low	117 Å²	117	127.7 Å²	127.7	63%	0.626	64%	0.639	S	S	*	*	H	α-helix	trans	-67.7	-27.8	175.4	-74.9	-12.2	0	0	0	113.1	K84 F85	K84-N87 PolarHBondContact O-N 2.89Å; F85-N87 VanDerWaalsContact C-N 3.28Å; F85-N87 PolarHBondContact O-N 3.01Å
88	Q	40.6	Very low	36.2	Very low	105 Å²	105	129.5 Å²	129.5	49%	0.491	64%	0.64	S	S	.	*	H	α-helix	trans	-75.9	-35.7	175.1	-68.7	176.6	-38.9	0	0	112.3	K84 F85 N86 S90 Q91 Y92	K84-Q88 PolarHBondContact O-N 3.49Å; F85-Q88 PolarHBondContact O-N 3.41Å; F85-Q88 VanDerWaalsContact O-N 3.13Å; N86-Q88 VanDerWaalsContact C-N 3.3Å; N86-Q88 PolarHBondContact O-N 3.48Å; Q88-S90 VanDerWaalsContact C-N 3.27Å; Q88-S90 PolarHBondContact O-N 3.15Å; Q88-Q91 PolarHBondContact O-N 2.76Å; Q88-Q91 VanDerWaalsContact O-N 3.11Å; Q88-Y92 PolarHBondContact O-N 3.18Å
89	I	41.2	Very low	36	Very low	84 Å²	84	132.9 Å²	132.9	43%	0.431	66%	0.662	S	S	.	*	H	α-helix	trans	-61.5	-37	175.6	-63.4	175.2	0	0	0	111.3	F85 N86 Q91 Y92 S93	F85-I89 HydrophobicContact CD1-CD1 3.96Å; F85-I89 HydrophobicContact CD1-CG1 4.34Å; F85-I89 HydrophobicContact CE1-CD1 3.81Å; F85-I89 HydrophobicContact CE1-CG1 4.06Å; F85-I89 PolarHBondContact O-N 3.39Å; N86-I89 PolarHBondContact O-N 3.45Å; I89-Q91 PolarHBondContact O-N 3.46Å; I89-Y92 PolarHBondContact O-N 2.93Å; I89-S93 PolarHBondContact O-OG 3.16Å; I89-S93 VanDerWaalsContact O-OG 3.08Å
90	S	35	Very low	35.6	Very low	84 Å²	84	132.7 Å²	132.7	59%	0.587	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-20.1	176.4	-59.3	0	0	0	0	114.1	N86 Q88	N86-S90 PolarHBondContact O-N 2.99Å; N86-S90 PolarHBondContact O-OG 3.22Å; Q88-S90 VanDerWaalsContact C-N 3.27Å; Q88-S90 PolarHBondContact O-N 3.15Å
91	Q	36.9	Very low	35.6	Very low	151 Å²	151	132 Å²	132	71%	0.706	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-37.4	174.1	-66.8	-178.5	-47.6	0	0	111.8	Q88 I89 S93	Q88-Q91 PolarHBondContact O-N 2.76Å; Q88-Q91 VanDerWaalsContact O-N 3.11Å; I89-Q91 PolarHBondContact O-N 3.46Å; Q91-S93 PolarHBondContact O-N 2.84Å
92	Y	32.9	Very low	35	Very low	210 Å²	210	134.8 Å²	134.8	82%	0.824	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	2.1	179	-93.4	-85.8	0	0	0	115.7	Q88 I89	Q88-Y92 PolarHBondContact O-N 3.18Å; I89-Y92 PolarHBondContact O-N 2.93Å
93	S	31.7	Very low	34.5	Very low	89 Å²	89	138.4 Å²	138.4	62%	0.622	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-5.1	-179.4	-59.2	0	0	0	0	114.2	I89 Q91	I89-S93 PolarHBondContact O-OG 3.16Å; I89-S93 VanDerWaalsContact O-OG 3.08Å; Q91-S93 PolarHBondContact O-N 2.84Å
94	N	31.4	Very low	33.9	Very low	150 Å²	150	138.2 Å²	138.2	80%	0.802	70%	0.7	S	S	*	*	S	Bend	trans	-127.8	23.1	-170.5	-91	-20.5	0	0	0	115.3
95	E	30.7	Very low	33.3	Very low	186 Å²	186	137.5 Å²	137.5	87%	0.869	71%	0.705	S	S	*	*			trans	-144.7	97.5	172.7	-123.7	161.9	-131.5	0	0	113.4
96	K	31.4	Very low	32.7	Very low	210 Å²	210	139 Å²	139	91%	0.913	73%	0.726	S	S	*	*			trans	-144.3	77.3	165	-88.1	-163	174.1	-173	0	109.8
97	L	30.5	Very low	32.3	Very low	171 Å²	171	139.9 Å²	139.9	90%	0.895	73%	0.73	S	S	*	*			trans	-167.1	50.7	165	-114.2	170.9	0	0	0	114.2
98	N	32.9	Very low	31.9	Very low	156 Å²	156	141.3 Å²	141.3	83%	0.834	73%	0.733	S	S	*	*			trans	-159.3	120.6	157.7	-131.7	-13.1	0	0	0	113.3
99	P	32.1	Very low	31.5	Very low	114 Å²	114	143.8 Å²	143.8	74%	0.74	75%	0.749	S	S	*	*			trans	-100.1	83.9	174.1	35.8	-28.4	0	0	0	111.2
100	N	27.4	Very low	31	Very low	154 Å²	154	142.5 Å²	142.5	82%	0.824	74%	0.743	S	S	*	*			trans	-175.2	95	158.4	-99.8	-26.5	0	0	0	112.1
101	H	36.2	Very low	31.2	Very low	190 Å²	190	141.8 Å²	141.8	88%	0.88	73%	0.733	S	S	*	*			trans	-157.9	134.1	145.1	-131.5	-70.2	0	0	0	110.3
102	N	27.8	Very low	31.5	Very low	107 Å²	107	138.2 Å²	138.2	57%	0.572	72%	0.723	S	S	*	*			trans	-106.9	164.2	178	-108.8	-4.8	0	0	0	111.3
103	N	27.8	Very low	32.2	Very low	138 Å²	138	133 Å²	133	74%	0.738	71%	0.709	S	S	*	*			trans	88.3	136.1	163.1	-57.6	-17	0	0	0	119.7
104	N	26	Very low	33.1	Very low	146 Å²	146	133 Å²	133	78%	0.781	70%	0.702	S	S	*	*			trans	66.5	92.3	153.2	-58.5	-8.8	0	0	0	119
105	D	32	Very low	34.1	Very low	160 Å²	160	129.6 Å²	129.6	86%	0.856	68%	0.681	S	S	*	*			trans	-142.2	69	150.5	-127.3	-15.3	0	0	0	110.9
106	S	27.5	Very low	35.6	Very low	116 Å²	116	124.4 Å²	124.4	81%	0.811	67%	0.666	S	S	*	*			trans	-98	49.7	177.7	-61	0	0	0	0	111.7
107	N	28.5	Very low	38	Very low	100 Å²	100	116.1 Å²	116.1	54%	0.535	63%	0.631	S	S	.	*	S	Bend	trans	-164	169.4	166.1	-111.5	-48.2	0	0	0	112.8	I979	N107-I979 WeakPolarHBondContact OD1-CG2 3.3Å
108	H	30.2	Very low	40.6	Very low	146 Å²	146	108.7 Å²	108.7	68%	0.676	59%	0.591	S	S	*	*			trans	54.5	81.5	174.3	-68.8	-48.4	0	0	0	118.2	I979	H108-I979 HydrophobicContact CB-CD1 4.49Å; H108-I979 WeakPolarHBondContact ND1-CD1 3.32Å
109	N	30.9	Very low	43.3	Very low	157 Å²	157	101.7 Å²	101.7	84%	0.84	55%	0.554	S	S	*	*			trans	-149.2	25.8	138.7	-111.7	-62	0	0	0	115	N111	N109-N111 PolarHBondContact O-N 3.39Å
110	N	32	Very low	46.1	Very low	57 Å²	57	98.1 Å²	98.1	31%	0.305	53%	0.529	S	S	.	.			trans	-74.2	102	156.7	-78.2	-31	0	0	0	107.6	E978 I979 D980	N110-E978 WeakPolarHBondContact CB-OE2 3.33Å; N110-I979 HydrophobicContact CB-CD1 4.45Å; N110-I979 HydrophobicContact CB-CG1 4.15Å; N110-D980 PolarHBondContact ND2-OD2 3.21Å
111	N	39.2	Very low	48.9	Very low	69 Å²	69	96.1 Å²	96.1	37%	0.369	53%	0.527	S	S	.	.			trans	-105.5	101.8	167.7	-173	33.9	0	0	0	107.6	N109 D113 N114	N109-N111 PolarHBondContact O-N 3.39Å; N111-D113 PolarHBondContact O-N 3.08Å; N111-D113 VanDerWaalsContact O-N 3.15Å; N111-N114 PolarHBondContact O-N 3.45Å
112	P	43.1	Very low	51.5	Low	77 Å²	77	91.1 Å²	91.1	50%	0.5	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.7	-166.2	20.6	-32.3	0	0	0	113.6	N114 Q115	P112-N114 PolarHBondContact O-N 3.29Å; P112-N114 VanDerWaalsContact O-N 3.15Å; P112-Q115 WeakPolarHBondContact O-CB 3.04Å; P112-Q115 PolarHBondContact O-N 3.31Å
113	D	46.9	Very low	54.5	Low	99 Å²	99	89 Å²	89	53%	0.529	50%	0.495	S	S	.	.	H	α-helix	trans	-50	-39.4	176.4	-67.5	-11.1	0	0	0	113.6	N111 Q115 S116	N111-D113 PolarHBondContact O-N 3.08Å; N111-D113 VanDerWaalsContact O-N 3.15Å; D113-Q115 PolarHBondContact O-N 3.39Å; D113-S116 WeakPolarHBondContact O-CB 3.38Å; D113-S116 PolarHBondContact O-N 3.29Å
114	N	49.9	Very low	57.7	Low	89 Å²	89	83.3 Å²	83.3	48%	0.476	46%	0.464	S	S	.	.	H	α-helix	trans	-67.4	-24.9	-178.1	-81	-33.4	0	0	0	113	N111 P112	N111-N114 PolarHBondContact O-N 3.45Å; P112-N114 PolarHBondContact O-N 3.29Å; P112-N114 VanDerWaalsContact O-N 3.15Å
115	Q	53.6	Low	61	Low	79 Å²	79	76.5 Å²	76.5	37%	0.369	43%	0.427	S	S	.	.	H	α-helix	trans	-80.8	-25.8	-177.9	-163.7	157.9	-41.2	0	0	111.9	P112 D113 M117 N119	P112-Q115 WeakPolarHBondContact O-CB 3.04Å; P112-Q115 PolarHBondContact O-N 3.31Å; D113-Q115 PolarHBondContact O-N 3.39Å; Q115-M117 VanDerWaalsContact C-N 3.33Å; Q115-N119 WeakPolarHBondContact O-CB 3.12Å
116	S	62.2	Low	64	Low	77 Å²	77	74.3 Å²	74.3	54%	0.538	41%	0.407	S	S	.	.	H	α-helix	trans	-67.2	-30.9	172.2	-173.8	0	0	0	0	113	D113 N119	D113-S116 WeakPolarHBondContact O-CB 3.38Å; D113-S116 PolarHBondContact O-N 3.29Å; S116-N119 VanDerWaalsContact O-O 3.08Å
117	M	80.9	Confident	67.1	Low	36 Å²	36	71.1 Å²	71.1	18%	0.177	38%	0.38	C	S	.	.	H	α-helix	trans	-67	-46	-172.6	-167.2	176.7	73.2	0	0	112.9	M74 Q115	M74-M117 HydrophobicContact CB-CG 4.17Å; M74-M117 WeakPolarHBondContact CE-O 3.38Å; Q115-M117 VanDerWaalsContact C-N 3.33Å
118	F	86.4	Confident	70.2	Confident	16 Å²	16	68.3 Å²	68.3	7%	0.07	37%	0.365	C	S	.	.	H	α-helix	trans	-88	-16.5	-176.7	-65.1	-66.3	0	0	0	114.4	H51 M74 Y125 R126	H51-F118 AromaticContact CD2-CZ 3.71Å; H51-F118 AromaticContact CE1-CE2 3.76Å; H51-F118 AromaticContact CG-CZ 3.88Å; H51-F118 AromaticContact ND1-CE2 3.99Å; H51-F118 AromaticContact NE2-CE2 3.8Å; H51-F118 AromaticContact NE2-CZ 3.93Å; M74-F118 HydrophobicContact CE-CD1 3.73Å; M74-F118 HydrophobicContact CE-CE1 4.37Å; F118-Y125 HydrophobicContact CB-CD2 4.45Å; F118-Y125 HydrophobicContact CB-CE2 4.16Å; F118-Y125 HydrophobicContact CD1-CE2 4.36Å; F118-R126 WeakPolarHBondContact O-CB 3.43Å; F118-R126 WeakPolarHBondContact O-CG 3.34Å; F118-R126 PolarHBondContact O-N 3.07Å
119	N	89.5	Confident	73.3	Confident	9 Å²	9	66.9 Å²	66.9	5%	0.048	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-112.9	145.2	-169.8	-62.8	25.6	0	0	0	111	Q115 S116 F124 R126 T170 H218	Q115-N119 WeakPolarHBondContact O-CB 3.12Å; S116-N119 VanDerWaalsContact O-O 3.08Å; N119-F124 CarbonylContact C-O 3.55Å; N119-F124 VanDerWaalsContact CA-O 3.24Å; N119-F124 WeakPolarHBondContact CA-O 3.47Å; N119-R126 VanDerWaalsContact C-NE 3.31Å; N119-R126 PolarHBondContact O-NE 2.84Å; N119-R126 PolarHBondContact O-NH2 3.24Å; N119-T170 PolarHBondContact ND2-OG1 3.27Å; N119-T170 VanDerWaalsContact ND2-OG1 3.1Å; N119-H218 PolarHBondContact ND2-NE2 2.85Å; N119-H218 PolarHBondContact OD1-NE2 3.11Å
120	D	89.1	Confident	76.3	Confident	39 Å²	39	62.7 Å²	62.7	21%	0.209	33%	0.334	C	S	.	.			trans	-70.2	169.5	164.1	69.3	15.2	0	0	0	110.8	D122 N123 F124 K145	D120-D122 PolarHBondContact O-N 3.39Å; D120-D122 VanDerWaalsContact OD1-CA 3.31Å; D120-D122 WeakPolarHBondContact OD1-CA 3.37Å; D120-D122 WeakPolarHBondContact OD1-CB 3.44Å; D120-D122 PolarHBondContact OD1-N 3.1Å; D120-N123 PolarHBondContact O-N 3.49Å; D120-N123 PolarHBondContact OD1-N 2.78Å; D120-F124 PolarHBondContact N-O 2.69Å; D120-F124 WeakPolarHBondContact OD1-CB 3.34Å; D120-F124 WeakPolarHBondContact OD1-CD2 3.45Å; D120-F124 PolarHBondContact OD1-N 3.29Å; D120-F124 WeakPolarHBondContact OD2-CB 3.49Å; D120-K145 IonicContact OD2-NZ 3.68Å; D120-K145 PolarHBondContact OD2-NZ 3.24Å
121	S	87.2	Confident	79.3	Confident	112 Å²	112	60.1 Å²	60.1	78%	0.783	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-21.1	176.9	47.4	0	0	0	0	113.2
122	D	89.9	Confident	82	Confident	84 Å²	84	56.8 Å²	56.8	45%	0.449	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	23.9	178	-81.1	-65.9	0	0	0	112.5	D120 F124 R169	D120-D122 PolarHBondContact O-N 3.39Å; D120-D122 VanDerWaalsContact OD1-CA 3.31Å; D120-D122 WeakPolarHBondContact OD1-CA 3.37Å; D120-D122 WeakPolarHBondContact OD1-CB 3.44Å; D120-D122 PolarHBondContact OD1-N 3.1Å; D122-F124 HydrophobicContact CB-CD2 3.69Å; D122-F124 HydrophobicContact CB-CE2 3.79Å; D122-F124 VanDerWaalsContact O-CD2 3.25Å; D122-F124 WeakPolarHBondContact O-CD2 3.15Å; D122-F124 PolarHBondContact O-N 3.14Å; D122-R169 PolarHBondContact O-NE 3.02Å; D122-R169 PolarHBondContact O-NH2 2.95Å; D122-R169 IonicContact OD1-NH2 2.77Å; D122-R169 PolarHBondContact OD1-NH2 2.81Å; D122-R169 VanDerWaalsContact OD1-NH2 3.12Å
123	N	92.4	Very high	84.6	Confident	62 Å²	62	53.1 Å²	53.1	33%	0.332	28%	0.278	S	S	.	.	S	Bend	trans	58.7	18	174.2	-72.1	-79.1	0	0	0	115.6	D120 R169 T170	D120-N123 PolarHBondContact O-N 3.49Å; D120-N123 PolarHBondContact OD1-N 2.78Å; N123-R169 HydrophobicContact CB-CG 3.87Å; N123-R169 WeakPolarHBondContact O-CG 3.4Å; N123-T170 PolarHBondContact O-N 3.38Å; N123-T170 PolarHBondContact O-OG1 3.48Å; N123-T170 PolarHBondContact OD1-OG1 3.1Å
124	F	94.9	Very high	87	Confident	20 Å²	20	49 Å²	49	9%	0.088	26%	0.258	C	S	.	.			trans	-87.6	147.5	168.5	-62.1	-93	0	0	0	110.5	N119 D120 D122 R126 K145 G146 Q150	N119-F124 CarbonylContact C-O 3.55Å; N119-F124 VanDerWaalsContact CA-O 3.24Å; N119-F124 WeakPolarHBondContact CA-O 3.47Å; D120-F124 PolarHBondContact N-O 2.69Å; D120-F124 WeakPolarHBondContact OD1-CB 3.34Å; D120-F124 WeakPolarHBondContact OD1-CD2 3.45Å; D120-F124 PolarHBondContact OD1-N 3.29Å; D120-F124 WeakPolarHBondContact OD2-CB 3.49Å; D122-F124 HydrophobicContact CB-CD2 3.69Å; D122-F124 HydrophobicContact CB-CE2 3.79Å; D122-F124 VanDerWaalsContact O-CD2 3.25Å; D122-F124 WeakPolarHBondContact O-CD2 3.15Å; D122-F124 PolarHBondContact O-N 3.14Å; F124-R126 PolarHBondContact O-N 2.8Å; F124-K145 VanDerWaalsContact CD2-CE 3.41Å; F124-K145 HydrophobicContact CE1-CG 4.14Å; F124-K145 VanDerWaalsContact CG-CE 3.42Å; F124-K145 HydrophobicContact CZ-CG 4.46Å; F124-G146 WeakPolarHBondContact CE1-O 3.1Å; F124-G146 VanDerWaalsContact CZ-O 3.3Å; F124-G146 WeakPolarHBondContact CZ-O 3.25Å; F124-Q150 HydrophobicContact CD1-CG 3.99Å
125	Y	95.6	Very high	89.2	Confident	3 Å²	3	44.8 Å²	44.8	1%	0.012	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-62	133.8	171	-172.2	-104.6	0	0	0	110.8	F118 I127 I133 Q150 I167 F215 R216 H218	F118-Y125 HydrophobicContact CB-CD2 4.45Å; F118-Y125 HydrophobicContact CB-CE2 4.16Å; F118-Y125 HydrophobicContact CD1-CE2 4.36Å; Y125-I127 HydrophobicContact CD1-CG1 4.4Å; Y125-I127 PolarHBondContact O-N 2.76Å; Y125-I133 HydrophobicContact CD1-CD1 4.21Å; Y125-I133 HydrophobicContact CE1-CD1 3.66Å; Y125-Q150 PolarHBondContact O-NE2 3.07Å; Y125-I167 HydrophobicContact CD1-CD1 4.37Å; Y125-I167 HydrophobicContact CG-CG2 4.39Å; Y125-F215 HydrophobicContact CE2-CD1 4.49Å; Y125-F215 HydrophobicContact CE2-CE1 4.15Å; Y125-F215 AromaticContact CZ-CE1 3.96Å; Y125-R216 HydrophobicContact CE2-CB 4.46Å; Y125-R216 PolarHBondContact OH-NH1 2.95Å; Y125-H218 AromaticContact CD2-CD2 3.68Å; Y125-H218 AromaticContact CD2-NE2 3.77Å; Y125-H218 PolarHBondContact N-CE1 2.59Å; Y125-H218 VanDerWaalsContact N-CE1 3.25Å
126	R	94	Very high	91.3	Very high	114 Å²	114	42.4 Å²	42.4	43%	0.43	22%	0.223	S	C	.	.			trans	-73.1	94.9	172.9	-67.9	178.4	-168.6	-107.3	0.6	109.3	M74 F118 N119 F124 I128	M74-R126 HydrophobicContact CE-CB 4.31Å; F118-R126 WeakPolarHBondContact O-CB 3.43Å; F118-R126 WeakPolarHBondContact O-CG 3.34Å; F118-R126 PolarHBondContact O-N 3.07Å; N119-R126 VanDerWaalsContact C-NE 3.31Å; N119-R126 PolarHBondContact O-NE 2.84Å; N119-R126 PolarHBondContact O-NH2 3.24Å; F124-R126 PolarHBondContact O-N 2.8Å; R126-I128 PolarHBondContact O-N 3.43Å
127	I	93.1	Very high	93	Very high	48 Å²	48	38.8 Å²	38.8	25%	0.246	20%	0.198	C	C	.	.			trans	-65.1	122.8	176	-66.1	168.1	0	0	0	109.2	Y125 I139 L142 Q150 V152	Y125-I127 HydrophobicContact CD1-CG1 4.4Å; Y125-I127 PolarHBondContact O-N 2.76Å; I127-I139 HydrophobicContact CG2-CD1 4.4Å; I127-I139 HydrophobicContact CG2-CG2 3.72Å; I127-L142 HydrophobicContact CD1-CD1 3.7Å; I127-Q150 HydrophobicContact CD1-CB 3.64Å; I127-Q150 VanDerWaalsContact CD1-CD 3.46Å; I127-Q150 HydrophobicContact CD1-CG 4.02Å; I127-V152 HydrophobicContact CD1-CG1 3.52Å; I127-V152 HydrophobicContact CG1-CG1 4.17Å; I127-V152 HydrophobicContact CG2-CG1 4.13Å
128	I	93.3	Very high	93.8	Very high	42 Å²	42	38.4 Å²	38.4	22%	0.215	20%	0.195	C	C	.	.			trans	-115.7	130.2	168.2	-56.2	179	0	0	0	107.6	V69 M74 R126 D131 I139	V69-I128 HydrophobicContact CG1-CG2 3.43Å; V69-I128 VanDerWaalsContact CG1-CG2 3.43Å; M74-I128 HydrophobicContact CG-CD1 4.06Å; M74-I128 HydrophobicContact SD-CD1 3.5Å; M74-I128 WeakPolarHBondContact SD-CD1 3.18Å; R126-I128 PolarHBondContact O-N 3.43Å; I128-D131 HydrophobicContact CB-CB 3.93Å; I128-D131 HydrophobicContact CG2-CB 4.34Å; I128-D131 WeakPolarHBondContact O-CB 3.2Å; I128-D131 PolarHBondContact O-N 2.89Å; I128-I139 WeakPolarHBondContact O-CD1 3.41Å
129	Q	94.2	Very high	94.3	Very high	115 Å²	115	37.7 Å²	37.7	54%	0.537	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	138.4	-178.3	-159.7	178.6	-8.9	0	0	110.1	V69 D131 L140	V69-Q129 VanDerWaalsContact CG2-O 3.31Å; V69-Q129 WeakPolarHBondContact CG2-O 3.31Å; Q129-D131 PolarHBondContact O-N 2.86Å; Q129-L140 WeakPolarHBondContact CG-O 3.49Å; Q129-L140 PolarHBondContact NE2-O 3.11Å
130	H	95.1	Very high	94.6	Very high	70 Å²	70	39 Å²	39	32%	0.324	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	10.1	-170.1	-50.9	-76	0	0	0	115.6	Y64 G66 V69 E138 I139	Y64-H130 PolarHBondContact OH-O 3.33Å; Y64-H130 VanDerWaalsContact OH-O 3.12Å; G66-H130 VanDerWaalsContact CA-O 3.3Å; G66-H130 WeakPolarHBondContact CA-O 3.3Å; V69-H130 VanDerWaalsContact CG2-C 3.45Å; V69-H130 HydrophobicContact CG2-CB 3.72Å; V69-H130 WeakPolarHBondContact CG2-O 3.17Å; H130-E138 IonicContact CE1-OE1 3.5Å; H130-E138 IonicContact CG-OE1 2.67Å; H130-E138 IonicContact ND1-OE1 3.12Å; H130-E138 PolarHBondContact ND1-OE1 3.01Å; H130-I139 WeakPolarHBondContact CA-O 3.15Å; H130-I139 PolarHBondContact N-O 3.02Å
131	D	95.1	Very high	95	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.011	21%	0.206	C	C	.	.			trans	-77.7	162	166.1	-168.6	27.6	0	0	0	110.8	K71 I128 Q129 I139	K71-D131 IonicContact NZ-OD1 3.47Å; K71-D131 PolarHBondContact NZ-OD1 2.92Å; I128-D131 HydrophobicContact CB-CB 3.93Å; I128-D131 HydrophobicContact CG2-CB 4.34Å; I128-D131 WeakPolarHBondContact O-CB 3.2Å; I128-D131 PolarHBondContact O-N 2.89Å; Q129-D131 PolarHBondContact O-N 2.86Å; D131-I139 HydrophobicContact CB-CD1 4.49Å; D131-I139 PolarHBondContact O-N 3.06Å
132	H	96.2	Very high	95.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	152.5	176.1	74	-116.8	0	0	0	112.2	E52 Y64 V65 Y135 Y137 F215 R216	E52-H132 IonicContact OE1-CE1 2.78Å; E52-H132 PolarHBondContact OE1-CE1 2.91Å; E52-H132 IonicContact OE1-ND1 2.8Å; Y64-H132 HydrophobicContact CD1-CB 3.78Å; Y64-H132 HydrophobicContact CE1-CB 4.41Å; V65-H132 PolarHBondContact O-ND1 2.83Å; H132-Y135 AromaticContact CE1-CD1 3.66Å; H132-Y135 AromaticContact CE1-CE1 3.19Å; H132-Y135 WeakPolarHBondContact CE1-CE1 3.4Å; H132-Y135 AromaticContact CE1-CZ 3.44Å; H132-Y135 VanDerWaalsContact CE1-CZ 3.44Å; H132-Y135 AromaticContact ND1-CD1 3.96Å; H132-Y135 AromaticContact ND1-CE1 3.9Å; H132-Y135 AromaticContact NE2-CD1 3.89Å; H132-Y135 AromaticContact NE2-CD2 3.99Å; H132-Y135 AromaticContact NE2-CE1 3.52Å; H132-Y135 AromaticContact NE2-CE2 3.59Å; H132-Y135 AromaticContact NE2-CZ 3.33Å; H132-Y135 VanDerWaalsContact NE2-CZ 3.33Å; H132-Y137 CarbonylContact C-O 3.59Å; H132-Y137 WeakPolarHBondContact CA-O 3.19Å; H132-F215 AromaticContact CD2-CE2 4Å; H132-F215 AromaticContact CD2-CZ 3.71Å; H132-F215 AromaticContact NE2-CZ 3.78Å; H132-R216 PolarHBondContact NE2-NH2 3.19Å; H132-R216 VanDerWaalsContact NE2-NH2 3.19Å
133	I	97	Very high	95.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.1	154.1	-61.3	-65.6	0	0	0	107.7	Y125 Y135 R136 Y137 I139 L165 I167 F213 F215	Y125-I133 HydrophobicContact CD1-CD1 4.21Å; Y125-I133 HydrophobicContact CE1-CD1 3.66Å; I133-Y135 PolarHBondContact O-N 3.41Å; I133-R136 PolarHBondContact O-N 3.12Å; I133-R136 VanDerWaalsContact O-N 3.13Å; I133-Y137 PolarHBondContact N-O 3.28Å; I133-Y137 PolarHBondContact O-N 3.42Å; I133-I139 HydrophobicContact CD1-CD1 4.03Å; I133-I139 HydrophobicContact CG1-CD1 3.88Å; I133-I139 HydrophobicContact CG1-CG1 3.97Å; I133-L165 HydrophobicContact CB-CD2 4Å; I133-L165 HydrophobicContact CG1-CD2 3.92Å; I133-L165 HydrophobicContact CG2-CD2 4.1Å; I133-I167 HydrophobicContact CD1-CD1 4.08Å; I133-I167 HydrophobicContact CG1-CD1 4.26Å; I133-F213 HydrophobicContact CG2-CE2 3.65Å; I133-F213 HydrophobicContact CG2-CZ 3.86Å; I133-F215 HydrophobicContact CD1-CD1 3.65Å; I133-F215 HydrophobicContact CD1-CE1 3.45Å; I133-F215 VanDerWaalsContact CD1-CE1 3.45Å; I133-F215 HydrophobicContact CD1-CZ 4.37Å; I133-F215 HydrophobicContact CG2-CB 4.2Å; I133-F215 HydrophobicContact CG2-CD1 3.93Å; I133-F215 HydrophobicContact CG2-CE1 4.4Å; I133-F215 HydrophobicContact CG2-CG 3.98Å
134	A	96.8	Very high	95.6	Very high	13 Å²	13	37.7 Å²	37.7	11%	0.107	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	34.9	179.5	0	0	0	0	0	114.5	Y59 R136 F213 F215	Y59-A134 HydrophobicContact CE1-CB 3.84Å; A134-R136 PolarHBondContact O-N 2.81Å; A134-F213 HydrophobicContact CB-CD2 3.9Å; A134-F213 HydrophobicContact CB-CE2 3.53Å; A134-F213 HydrophobicContact CB-CZ 4.1Å; A134-F215 HydrophobicContact CB-CD2 4.09Å
135	Y	96.8	Very high	95.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	28.2	-178.8	-60.8	-91.4	0	0	0	115.1	L48 E52 E55 I56 Y59 I62 F63 Y64 H132 I133	L48-Y135 HydrophobicContact CD2-CE1 4.39Å; E52-Y135 WeakPolarHBondContact CA-OH 3.37Å; E52-Y135 WeakPolarHBondContact CB-OH 3.5Å; E52-Y135 WeakPolarHBondContact CG-OH 3.44Å; E55-Y135 HydrophobicContact CG-CE2 4.12Å; E55-Y135 PolarHBondContact OE2-OH 3.32Å; I56-Y135 HydrophobicContact CB-CD1 4.25Å; I56-Y135 HydrophobicContact CB-CE1 3.65Å; I56-Y135 HydrophobicContact CB-CE2 4.33Å; I56-Y135 HydrophobicContact CD1-CD1 3.76Å; I56-Y135 HydrophobicContact CD1-CE1 3.69Å; I56-Y135 HydrophobicContact CG1-CD1 3.66Å; I56-Y135 HydrophobicContact CG1-CE1 3.56Å; I56-Y135 HydrophobicContact CG1-CG 4.2Å; Y59-Y135 HydrophobicContact CD1-CD2 4.29Å; Y59-Y135 AromaticContact CD2-CD2 3.45Å; Y59-Y135 HydrophobicContact CD2-CD2 3.45Å; Y59-Y135 VanDerWaalsContact CD2-CD2 3.45Å; Y59-Y135 AromaticContact CD2-CE2 3.75Å; Y59-Y135 HydrophobicContact CD2-CE2 3.75Å; Y59-Y135 HydrophobicContact CD2-CG 4.47Å; Y59-Y135 HydrophobicContact CE1-CD2 4.32Å; Y59-Y135 AromaticContact CE2-CD2 3.51Å; Y59-Y135 HydrophobicContact CE2-CD2 3.51Å; Y59-Y135 AromaticContact CE2-CE2 3.53Å; Y59-Y135 HydrophobicContact CE2-CE2 3.53Å; Y59-Y135 AromaticContact CG-CD2 3.89Å; Y59-Y135 HydrophobicContact CG-CD2 3.89Å; Y59-Y135 AromaticContact CZ-CD2 3.97Å; I62-Y135 HydrophobicContact CD1-CD1 4.4Å; I62-Y135 HydrophobicContact CD1-CG 4.08Å; F63-Y135 PolarHBondContact N-O 3.22Å; Y64-Y135 PolarHBondContact N-O 2.64Å; Y64-Y135 CarbonylContact O-C 3.6Å; Y64-Y135 WeakPolarHBondContact O-CA 3.46Å; Y64-Y135 VanDerWaalsContact O-O 3.12Å; H132-Y135 AromaticContact CE1-CD1 3.66Å; H132-Y135 AromaticContact CE1-CE1 3.19Å; H132-Y135 WeakPolarHBondContact CE1-CE1 3.4Å; H132-Y135 AromaticContact CE1-CZ 3.44Å; H132-Y135 VanDerWaalsContact CE1-CZ 3.44Å; H132-Y135 AromaticContact ND1-CD1 3.96Å; H132-Y135 AromaticContact ND1-CE1 3.9Å; H132-Y135 AromaticContact NE2-CD1 3.89Å; H132-Y135 AromaticContact NE2-CD2 3.99Å; H132-Y135 AromaticContact NE2-CE1 3.52Å; H132-Y135 AromaticContact NE2-CE2 3.59Å; H132-Y135 AromaticContact NE2-CZ 3.33Å; H132-Y135 VanDerWaalsContact NE2-CZ 3.33Å; I133-Y135 PolarHBondContact O-N 3.41Å
136	R	96.7	Very high	95.2	Very high	28 Å²	28	42.8 Å²	42.8	11%	0.106	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.2	-39.1	-175.5	172	173.2	157.4	-156.3	-9.3	114.8	F63 I133 A134 D156 H157 M158 E211	F63-R136 HydrophobicContact CB-CB 4.3Å; F63-R136 HydrophobicContact CB-CG 4.3Å; F63-R136 HydrophobicContact CD2-CB 4.12Å; F63-R136 HydrophobicContact CD2-CG 4.12Å; F63-R136 HydrophobicContact CG-CG 4.43Å; I133-R136 PolarHBondContact O-N 3.12Å; I133-R136 VanDerWaalsContact O-N 3.13Å; A134-R136 PolarHBondContact O-N 2.81Å; R136-D156 IonicContact CZ-OD1 3.26Å; R136-D156 IonicContact CZ-OD2 2.7Å; R136-D156 IonicContact NE-OD1 3.6Å; R136-D156 PolarHBondContact NE-OD1 3.02Å; R136-D156 IonicContact NE-OD2 3.88Å; R136-D156 PolarHBondContact NE-OD2 2.69Å; R136-D156 IonicContact NH2-OD1 2.97Å; R136-D156 IonicContact NH2-OD2 3.43Å; R136-D156 PolarHBondContact NH2-OD2 2.85Å; R136-H157 PolarHBondContact O-N 3.4Å; R136-H157 VanDerWaalsContact O-N 3.15Å; R136-M158 HydrophobicContact CG-CB 4.1Å; R136-M158 VanDerWaalsContact CZ-CE 3.43Å; R136-E211 IonicContact CZ-OE1 2.68Å; R136-E211 IonicContact CZ-OE2 2.91Å; R136-E211 IonicContact NH1-OE1 3.73Å; R136-E211 IonicContact NH1-OE2 3.04Å; R136-E211 PolarHBondContact NH1-OE2 2.72Å; R136-E211 IonicContact NH2-OE1 3.44Å; R136-E211 PolarHBondContact NH2-OE1 2.85Å; R136-E211 IonicContact NH2-OE2 3.84Å; R136-E211 PolarHBondContact NH2-OE2 3.36Å
137	Y	98	Very high	95	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.008	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.5	-176.3	-56.2	-82.6	0	0	0	109.9	H132 I133 Y155 D156 V163 E211 F213 T222	H132-Y137 CarbonylContact C-O 3.59Å; H132-Y137 WeakPolarHBondContact CA-O 3.19Å; I133-Y137 PolarHBondContact N-O 3.28Å; I133-Y137 PolarHBondContact O-N 3.42Å; Y137-Y155 CarbonylContact C-O 3.57Å; Y137-Y155 WeakPolarHBondContact CA-O 3.39Å; Y137-D156 HydrophobicContact CD1-CB 3.88Å; Y137-D156 HydrophobicContact CE1-CB 3.82Å; Y137-D156 WeakPolarHBondContact CE1-OD2 3.41Å; Y137-V163 HydrophobicContact CD1-CG2 4.1Å; Y137-V163 HydrophobicContact CE1-CG2 4.34Å; Y137-E211 PolarHBondContact OH-OE2 3.22Å; Y137-F213 HydrophobicContact CD2-CE1 4.13Å; Y137-F213 AromaticContact CD2-CZ 3.78Å; Y137-F213 HydrophobicContact CD2-CZ 3.78Å; Y137-F213 HydrophobicContact CE2-CD1 4.4Å; Y137-F213 AromaticContact CE2-CE1 3.4Å; Y137-F213 HydrophobicContact CE2-CE1 3.4Å; Y137-F213 AromaticContact CE2-CZ 3.53Å; Y137-F213 HydrophobicContact CE2-CZ 3.53Å; Y137-F213 AromaticContact CZ-CE1 3.99Å; Y137-T222 HydrophobicContact CD1-CG2 4.24Å; Y137-T222 HydrophobicContact CE1-CG2 3.65Å; Y137-T222 HydrophobicContact CE2-CG2 4.32Å
138	E	97.4	Very high	94.9	Very high	27 Å²	27	41.4 Å²	41.4	13%	0.126	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	126.8	172	175.2	176.2	169.6	0	0	110.2	Y64 H130 L140 A154 Y155 H157	Y64-E138 HydrophobicContact CD1-CB 3.84Å; Y64-E138 HydrophobicContact CD1-CG 4.43Å; Y64-E138 HydrophobicContact CD2-CB 4.41Å; Y64-E138 HydrophobicContact CE1-CB 3.59Å; Y64-E138 HydrophobicContact CE1-CG 3.67Å; Y64-E138 HydrophobicContact CE2-CB 4.15Å; Y64-E138 HydrophobicContact CE2-CG 4.21Å; Y64-E138 WeakPolarHBondContact CE2-OE2 3.41Å; Y64-E138 HydrophobicContact CG-CB 4.25Å; Y64-E138 VanDerWaalsContact CZ-CD 3.43Å; Y64-E138 VanDerWaalsContact CZ-OE2 3.32Å; Y64-E138 WeakPolarHBondContact OH-CG 3.46Å; Y64-E138 PolarHBondContact OH-OE1 3.2Å; Y64-E138 PolarHBondContact OH-OE2 3.13Å; H130-E138 IonicContact CE1-OE1 3.5Å; H130-E138 IonicContact CG-OE1 2.67Å; H130-E138 IonicContact ND1-OE1 3.12Å; H130-E138 PolarHBondContact ND1-OE1 3.01Å; E138-L140 HydrophobicContact CG-CD2 4.12Å; E138-L140 PolarHBondContact O-N 3.01Å; E138-A154 CarbonylContact O-C 3.53Å; E138-A154 WeakPolarHBondContact O-CA 3.27Å; E138-A154 VanDerWaalsContact O-CB 3.27Å; E138-A154 WeakPolarHBondContact O-CB 3.48Å; E138-Y155 PolarHBondContact N-O 2.86Å; E138-Y155 PolarHBondContact O-N 3.48Å; E138-H157 WeakPolarHBondContact CB-NE2 3.42Å; E138-H157 IonicContact OE2-CE1 3.2Å; E138-H157 PolarHBondContact OE2-CE1 3.01Å; E138-H157 IonicContact OE2-NE2 3.5Å; E138-H157 PolarHBondContact OE2-NE2 3.28Å
139	I	97.2	Very high	94.9	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	112.9	176.7	-63.2	174.5	0	0	0	110	I127 I128 H130 D131 I133 V152	I127-I139 HydrophobicContact CG2-CD1 4.4Å; I127-I139 HydrophobicContact CG2-CG2 3.72Å; I128-I139 WeakPolarHBondContact O-CD1 3.41Å; H130-I139 WeakPolarHBondContact CA-O 3.15Å; H130-I139 PolarHBondContact N-O 3.02Å; D131-I139 HydrophobicContact CB-CD1 4.49Å; D131-I139 PolarHBondContact O-N 3.06Å; I133-I139 HydrophobicContact CD1-CD1 4.03Å; I133-I139 HydrophobicContact CG1-CD1 3.88Å; I133-I139 HydrophobicContact CG1-CG1 3.97Å; I139-V152 HydrophobicContact CG2-CB 4.47Å; I139-V152 HydrophobicContact CG2-CG1 4.38Å
140	L	96.9	Very high	95	Very high	37 Å²	37	34.6 Å²	34.6	19%	0.194	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-46.2	179.4	-59.2	-178.8	0	0	0	113.3	Q129 E138 S153 K162	Q129-L140 WeakPolarHBondContact CG-O 3.49Å; Q129-L140 PolarHBondContact NE2-O 3.11Å; E138-L140 HydrophobicContact CG-CD2 4.12Å; E138-L140 PolarHBondContact O-N 3.01Å; L140-S153 WeakPolarHBondContact CA-O 3.26Å; L140-S153 WeakPolarHBondContact CB-O 3.39Å; L140-S153 PolarHBondContact N-O 3.5Å; L140-K162 HydrophobicContact CD1-CD 4.2Å; L140-K162 HydrophobicContact CD1-CG 4.19Å
141	S	96.5	Very high	95.1	Very high	50 Å²	50	32.8 Å²	32.8	35%	0.35	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	155.4	-177.6	61.7	0	0	0	0	112.8	V152 S153	S141-V152 CarbonylContact O-C 3.51Å; S141-V152 WeakPolarHBondContact O-CA 3.43Å; S141-V152 VanDerWaalsContact O-CB 3.27Å; S141-V152 WeakPolarHBondContact O-CB 3.33Å; S141-S153 PolarHBondContact N-O 3.36Å; S141-S153 PolarHBondContact O-N 2.97Å; S141-S153 WeakPolarHBondContact OG-CB 3.46Å
142	L	95.8	Very high	95.3	Very high	93 Å²	93	32.7 Å²	32.7	49%	0.487	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	125.9	169.9	-176.1	71.4	0	0	0	110.2	I127 G144 Q150 V152	I127-L142 HydrophobicContact CD1-CD1 3.7Å; L142-G144 WeakPolarHBondContact CD1-O 3.44Å; L142-Q150 HydrophobicContact CD1-CB 4.1Å; L142-Q150 HydrophobicContact CD1-CG 4.39Å; L142-V152 HydrophobicContact CD1-CG1 4.31Å
143	L	95.2	Very high	95.4	Very high	95 Å²	95	33.2 Å²	33.2	50%	0.497	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-33.2	172.2	-64.8	172.5	0	0	0	111.8	V151 A164 L225	L143-V151 WeakPolarHBondContact CA-O 3.37Å; L143-V151 HydrophobicContact CB-CB 4.47Å; L143-V151 HydrophobicContact CB-CG1 4.36Å; L143-V151 WeakPolarHBondContact CB-O 3.37Å; L143-V151 HydrophobicContact CD1-CG1 4.27Å; L143-V151 PolarHBondContact N-O 2.96Å; L143-A164 HydrophobicContact CD1-CB 4.3Å; L143-L225 HydrophobicContact CD1-CD1 3.69Å
144	G	92.4	Very high	95.4	Very high	31 Å²	31	33.2 Å²	33.2	32%	0.32	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	156.5	174.2	0	0	0	0	0	114.2	L142 Q150 V151	L142-G144 WeakPolarHBondContact CD1-O 3.44Å; G144-Q150 CarbonylContact O-C 3.48Å; G144-Q150 WeakPolarHBondContact O-CA 3.46Å; G144-V151 PolarHBondContact N-O 3.41Å; G144-V151 VanDerWaalsContact N-O 3.11Å; G144-V151 PolarHBondContact O-N 3.44Å
145	K	92.7	Very high	95.5	Very high	103 Å²	103	36.2 Å²	36.2	45%	0.448	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.7	169.6	-176.2	165	-168.4	157.6	0	108.4	D120 F124 Q150	D120-K145 IonicContact OD2-NZ 3.68Å; D120-K145 PolarHBondContact OD2-NZ 3.24Å; F124-K145 VanDerWaalsContact CD2-CE 3.41Å; F124-K145 HydrophobicContact CE1-CG 4.14Å; F124-K145 VanDerWaalsContact CG-CE 3.42Å; F124-K145 HydrophobicContact CZ-CG 4.46Å; K145-Q150 HydrophobicContact CB-CG 3.95Å; K145-Q150 HydrophobicContact CD-CG 3.85Å; K145-Q150 VanDerWaalsContact CD-OE1 3.31Å; K145-Q150 HydrophobicContact CG-CG 3.63Å
146	G	89.7	Confident	95.5	Very high	27 Å²	27	36.2 Å²	36.2	28%	0.278	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	-173.5	179	0	0	0	0	0	111.1	F124 F148 G149	F124-G146 WeakPolarHBondContact CE1-O 3.1Å; F124-G146 VanDerWaalsContact CZ-O 3.3Å; F124-G146 WeakPolarHBondContact CZ-O 3.25Å; G146-F148 VanDerWaalsContact C-N 3.31Å; G146-F148 PolarHBondContact O-N 2.9Å; G146-G149 PolarHBondContact N-O 3.21Å; G146-G149 PolarHBondContact O-N 2.78Å
147	S	89.7	Confident	95.4	Very high	83 Å²	83	36.6 Å²	36.6	58%	0.58	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-36.5	176.7	49.1	0	0	0	0	112.9	G149 F174	S147-G149 VanDerWaalsContact C-N 3.35Å; S147-G149 PolarHBondContact O-N 2.81Å; S147-F174 VanDerWaalsContact O-CE2 3.27Å; S147-F174 WeakPolarHBondContact O-CE2 3.47Å; S147-F174 WeakPolarHBondContact O-CZ 3.17Å
148	F	90.2	Very high	95.3	Very high	51 Å²	51	40 Å²	40	22%	0.224	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-22.4	-178	55.6	-103.4	0	0	0	114.7	G146 V151 K166 I168 R169 F174	G146-F148 VanDerWaalsContact C-N 3.31Å; G146-F148 PolarHBondContact O-N 2.9Å; F148-V151 HydrophobicContact CE2-CG2 4.2Å; F148-K166 HydrophobicContact CD2-CG 4.47Å; F148-K166 HydrophobicContact CE2-CD 4.46Å; F148-K166 VanDerWaalsContact CE2-CE 3.49Å; F148-K166 HydrophobicContact CE2-CG 4.27Å; F148-I168 HydrophobicContact CD2-CD1 4.34Å; F148-I168 WeakPolarHBondContact O-CA 3.29Å; F148-R169 PolarHBondContact O-N 2.77Å; F148-F174 HydrophobicContact CB-CD1 4.1Å
149	G	93.7	Very high	95.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.3	-156.1	-165.1	0	0	0	0	0	113.5	G146 S147 I167	G146-G149 PolarHBondContact N-O 3.21Å; G146-G149 PolarHBondContact O-N 2.78Å; S147-G149 VanDerWaalsContact C-N 3.35Å; S147-G149 PolarHBondContact O-N 2.81Å; G149-I167 VanDerWaalsContact CA-O 3.27Å; G149-I167 WeakPolarHBondContact CA-O 3.39Å
150	Q	96.2	Very high	94.9	Very high	14 Å²	14	45.3 Å²	45.3	7%	0.065	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.5	179.9	-67.6	162.5	138.9	0	0	109.8	F124 Y125 I127 L142 G144 K145 K166 I167	F124-Q150 HydrophobicContact CD1-CG 3.99Å; Y125-Q150 PolarHBondContact O-NE2 3.07Å; I127-Q150 HydrophobicContact CD1-CB 3.64Å; I127-Q150 VanDerWaalsContact CD1-CD 3.46Å; I127-Q150 HydrophobicContact CD1-CG 4.02Å; L142-Q150 HydrophobicContact CD1-CB 4.1Å; L142-Q150 HydrophobicContact CD1-CG 4.39Å; G144-Q150 CarbonylContact O-C 3.48Å; G144-Q150 WeakPolarHBondContact O-CA 3.46Å; K145-Q150 HydrophobicContact CB-CG 3.95Å; K145-Q150 HydrophobicContact CD-CG 3.85Å; K145-Q150 VanDerWaalsContact CD-OE1 3.31Å; K145-Q150 HydrophobicContact CG-CG 3.63Å; Q150-K166 CarbonylContact O-C 3.56Å; Q150-K166 WeakPolarHBondContact O-CA 3.48Å; Q150-I167 PolarHBondContact N-O 3.19Å; Q150-I167 PolarHBondContact O-N 2.86Å
151	V	97.9	Very high	94.8	Very high	32 Å²	32	45.6 Å²	45.6	19%	0.194	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.4	171.6	-172.3	0	0	0	0	108.1	L143 G144 F148 A164 L165 K166	L143-V151 WeakPolarHBondContact CA-O 3.37Å; L143-V151 HydrophobicContact CB-CB 4.47Å; L143-V151 HydrophobicContact CB-CG1 4.36Å; L143-V151 WeakPolarHBondContact CB-O 3.37Å; L143-V151 HydrophobicContact CD1-CG1 4.27Å; L143-V151 PolarHBondContact N-O 2.96Å; G144-V151 PolarHBondContact N-O 3.41Å; G144-V151 VanDerWaalsContact N-O 3.11Å; G144-V151 PolarHBondContact O-N 3.44Å; F148-V151 HydrophobicContact CE2-CG2 4.2Å; V151-A164 HydrophobicContact CG1-CB 4.25Å; V151-L165 WeakPolarHBondContact CA-O 3.42Å; V151-K166 HydrophobicContact CG2-CB 4.25Å; V151-K166 HydrophobicContact CG2-CG 4.06Å
152	V	98	Very high	94.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	149.7	174.9	-59.5	0	0	0	0	110.9	I127 I139 S141 L142 A154 L165 I167	I127-V152 HydrophobicContact CD1-CG1 3.52Å; I127-V152 HydrophobicContact CG1-CG1 4.17Å; I127-V152 HydrophobicContact CG2-CG1 4.13Å; I139-V152 HydrophobicContact CG2-CB 4.47Å; I139-V152 HydrophobicContact CG2-CG1 4.38Å; S141-V152 CarbonylContact O-C 3.51Å; S141-V152 WeakPolarHBondContact O-CA 3.43Å; S141-V152 VanDerWaalsContact O-CB 3.27Å; S141-V152 WeakPolarHBondContact O-CB 3.33Å; L142-V152 HydrophobicContact CD1-CG1 4.31Å; V152-A154 HydrophobicContact CG2-CB 4.46Å; V152-L165 HydrophobicContact CG2-CB 3.8Å; V152-L165 HydrophobicContact CG2-CD2 3.98Å; V152-L165 HydrophobicContact CG2-CG 4.05Å; V152-L165 PolarHBondContact N-O 3.46Å; V152-L165 PolarHBondContact O-N 3.27Å; V152-I167 HydrophobicContact CG2-CD1 4.49Å
153	S	98.2	Very high	95	Very high	11 Å²	11	45 Å²	45	8%	0.077	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	129.8	156.7	-173.4	0	0	0	0	106.5	L140 S141	L140-S153 WeakPolarHBondContact CA-O 3.26Å; L140-S153 WeakPolarHBondContact CB-O 3.39Å; L140-S153 PolarHBondContact N-O 3.5Å; S141-S153 PolarHBondContact N-O 3.36Å; S141-S153 PolarHBondContact O-N 2.97Å; S141-S153 WeakPolarHBondContact OG-CB 3.46Å
154	A	98.3	Very high	95.1	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	159.5	174.4	0	0	0	0	0	111.1	E138 V152 K162 V163 L165	E138-A154 CarbonylContact O-C 3.53Å; E138-A154 WeakPolarHBondContact O-CA 3.27Å; E138-A154 VanDerWaalsContact O-CB 3.27Å; E138-A154 WeakPolarHBondContact O-CB 3.48Å; V152-A154 HydrophobicContact CG2-CB 4.46Å; A154-K162 CarbonylContact O-C 3.59Å; A154-K162 WeakPolarHBondContact O-CA 3.25Å; A154-V163 HydrophobicContact CB-CG2 4.01Å; A154-V163 PolarHBondContact N-O 2.9Å; A154-V163 PolarHBondContact O-N 2.67Å; A154-L165 HydrophobicContact CB-CB 4.2Å; A154-L165 HydrophobicContact CB-CD2 4.18Å
155	Y	98	Very high	95.4	Very high	76 Å²	76	39.5 Å²	39.5	30%	0.298	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.9	166.5	-168.2	-102.3	0	0	0	109.3	Y137 E138 H157 G160 K162	Y137-Y155 CarbonylContact C-O 3.57Å; Y137-Y155 WeakPolarHBondContact CA-O 3.39Å; E138-Y155 PolarHBondContact N-O 2.86Å; E138-Y155 PolarHBondContact O-N 3.48Å; Y155-H157 AromaticContact CD1-CD2 3.72Å; Y155-H157 AromaticContact CD1-CE1 3.68Å; Y155-H157 AromaticContact CD1-CG 3.82Å; Y155-H157 AromaticContact CD1-ND1 3.8Å; Y155-H157 AromaticContact CD1-NE2 3.63Å; Y155-H157 AromaticContact CE1-ND1 3.87Å; Y155-H157 PolarHBondContact O-N 3.14Å; Y155-G160 WeakPolarHBondContact OH-CA 3.43Å; Y155-G160 PolarHBondContact OH-O 3.2Å; Y155-K162 HydrophobicContact CD2-CG 3.97Å
156	D	97.2	Very high	95.7	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	99.7	174.4	-175.5	-14	0	0	0	108.8	R136 Y137 M158 K159 G160 C161 V163	R136-D156 IonicContact CZ-OD1 3.26Å; R136-D156 IonicContact CZ-OD2 2.7Å; R136-D156 IonicContact NE-OD1 3.6Å; R136-D156 PolarHBondContact NE-OD1 3.02Å; R136-D156 IonicContact NE-OD2 3.88Å; R136-D156 PolarHBondContact NE-OD2 2.69Å; R136-D156 IonicContact NH2-OD1 2.97Å; R136-D156 IonicContact NH2-OD2 3.43Å; R136-D156 PolarHBondContact NH2-OD2 2.85Å; Y137-D156 HydrophobicContact CD1-CB 3.88Å; Y137-D156 HydrophobicContact CE1-CB 3.82Å; Y137-D156 WeakPolarHBondContact CE1-OD2 3.41Å; D156-M158 PolarHBondContact O-N 3.06Å; D156-M158 WeakPolarHBondContact OD1-CB 3.49Å; D156-M158 PolarHBondContact OD1-N 3.27Å; D156-K159 HydrophobicContact CB-CB 4.28Å; D156-K159 PolarHBondContact O-N 2.86Å; D156-K159 VanDerWaalsContact O-N 3.13Å; D156-K159 PolarHBondContact OD1-N 2.86Å; D156-K159 WeakPolarHBondContact OD2-CD 3.45Å; D156-K159 WeakPolarHBondContact OD2-CG 3.41Å; D156-G160 PolarHBondContact O-N 2.87Å; D156-C161 PolarHBondContact N-O 3.17Å; D156-V163 HydrophobicContact CB-CG1 4.2Å
157	H	95.4	Very high	96.1	Very high	35 Å²	35	33.9 Å²	33.9	16%	0.162	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-14.6	-178.3	-77.2	-89.6	0	0	0	113.6	F63 Y64 R136 E138 Y155	F63-H157 HydrophobicContact CB-CB 3.98Å; Y64-H157 AromaticContact CD2-CD2 3.43Å; Y64-H157 VanDerWaalsContact CD2-CD2 3.43Å; Y64-H157 WeakPolarHBondContact CD2-CD2 3.29Å; Y64-H157 AromaticContact CD2-CE1 3.59Å; Y64-H157 AromaticContact CD2-CG 3.98Å; Y64-H157 AromaticContact CD2-NE2 3.15Å; Y64-H157 WeakPolarHBondContact CD2-NE2 3.5Å; Y64-H157 AromaticContact CE2-CE1 3.9Å; Y64-H157 AromaticContact CE2-NE2 3.45Å; Y64-H157 WeakPolarHBondContact CE2-NE2 3.43Å; Y64-H157 AromaticContact CG-CD2 3.57Å; Y64-H157 AromaticContact CG-NE2 3.74Å; R136-H157 PolarHBondContact O-N 3.4Å; R136-H157 VanDerWaalsContact O-N 3.15Å; E138-H157 WeakPolarHBondContact CB-NE2 3.42Å; E138-H157 IonicContact OE2-CE1 3.2Å; E138-H157 PolarHBondContact OE2-CE1 3.01Å; E138-H157 IonicContact OE2-NE2 3.5Å; E138-H157 PolarHBondContact OE2-NE2 3.28Å; Y155-H157 AromaticContact CD1-CD2 3.72Å; Y155-H157 AromaticContact CD1-CE1 3.68Å; Y155-H157 AromaticContact CD1-CG 3.82Å; Y155-H157 AromaticContact CD1-ND1 3.8Å; Y155-H157 AromaticContact CD1-NE2 3.63Å; Y155-H157 AromaticContact CE1-ND1 3.87Å; Y155-H157 PolarHBondContact O-N 3.14Å
158	M	94.5	Very high	96.5	Very high	75 Å²	75	30.1 Å²	30.1	37%	0.369	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-32.8	172.2	-173.6	-175.8	91.7	0	0	112.2	F63 R136 D156	F63-M158 HydrophobicContact CD1-CB 3.78Å; F63-M158 HydrophobicContact CD1-CG 4.05Å; F63-M158 HydrophobicContact CD2-CB 4.25Å; F63-M158 HydrophobicContact CE1-CB 3.79Å; F63-M158 HydrophobicContact CE1-CG 3.51Å; F63-M158 HydrophobicContact CE1-SD 4.34Å; F63-M158 HydrophobicContact CE2-CB 4.27Å; F63-M158 HydrophobicContact CE2-CG 4.15Å; F63-M158 HydrophobicContact CE2-SD 4.03Å; F63-M158 HydrophobicContact CG-CB 4.02Å; F63-M158 HydrophobicContact CZ-CB 4.05Å; F63-M158 HydrophobicContact CZ-CG 3.57Å; F63-M158 HydrophobicContact CZ-SD 3.76Å; R136-M158 HydrophobicContact CG-CB 4.1Å; R136-M158 VanDerWaalsContact CZ-CE 3.43Å; D156-M158 PolarHBondContact O-N 3.06Å; D156-M158 WeakPolarHBondContact OD1-CB 3.49Å; D156-M158 PolarHBondContact OD1-N 3.27Å
159	K	93.5	Very high	96.7	Very high	92 Å²	92	29.7 Å²	29.7	40%	0.4	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-6.2	-176.1	-63.8	-174.6	-173.5	169.2	0	114.3	D156 C161 E211	D156-K159 HydrophobicContact CB-CB 4.28Å; D156-K159 PolarHBondContact O-N 2.86Å; D156-K159 VanDerWaalsContact O-N 3.13Å; D156-K159 PolarHBondContact OD1-N 2.86Å; D156-K159 WeakPolarHBondContact OD2-CD 3.45Å; D156-K159 WeakPolarHBondContact OD2-CG 3.41Å; K159-C161 VanDerWaalsContact C-N 3.28Å; K159-C161 PolarHBondContact O-N 3.48Å; K159-E211 VanDerWaalsContact CE-OE1 3.26Å; K159-E211 WeakPolarHBondContact CE-OE1 3.5Å; K159-E211 IonicContact NZ-OE1 3.48Å; K159-E211 PolarHBondContact NZ-OE1 3.48Å
160	G	94.1	Very high	96.7	Very high	46 Å²	46	30.8 Å²	30.8	47%	0.474	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	28.1	-179.2	0	0	0	0	0	113.9	Y155 D156	Y155-G160 WeakPolarHBondContact OH-CA 3.43Å; Y155-G160 PolarHBondContact OH-O 3.2Å; D156-G160 PolarHBondContact O-N 2.87Å
161	C	94.9	Very high	96.6	Very high	44 Å²	44	32.8 Å²	32.8	30%	0.297	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	159.1	-170.3	73.9	0	0	0	0	113.7	D156 K159	D156-C161 PolarHBondContact N-O 3.17Å; K159-C161 VanDerWaalsContact C-N 3.28Å; K159-C161 PolarHBondContact O-N 3.48Å
162	K	97	Very high	96.4	Very high	129 Å²	129	36.4 Å²	36.4	56%	0.561	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	133.9	175.1	-67.9	179.8	-179.7	173.1	0	110.6	L140 A154 Y155 L225	L140-K162 HydrophobicContact CD1-CD 4.2Å; L140-K162 HydrophobicContact CD1-CG 4.19Å; A154-K162 CarbonylContact O-C 3.59Å; A154-K162 WeakPolarHBondContact O-CA 3.25Å; Y155-K162 HydrophobicContact CD2-CG 3.97Å; K162-L225 HydrophobicContact CB-CD2 3.76Å
163	V	98.1	Very high	96.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	156.9	-177.8	-59.2	0	0	0	0	110.8	Y137 A154 D156 Y210 T222 F223	Y137-V163 HydrophobicContact CD1-CG2 4.1Å; Y137-V163 HydrophobicContact CE1-CG2 4.34Å; A154-V163 HydrophobicContact CB-CG2 4.01Å; A154-V163 PolarHBondContact N-O 2.9Å; A154-V163 PolarHBondContact O-N 2.67Å; D156-V163 HydrophobicContact CB-CG1 4.2Å; V163-Y210 HydrophobicContact CG1-CD2 4.14Å; V163-Y210 HydrophobicContact CG1-CE2 4.05Å; V163-T222 HydrophobicContact CG2-CG2 4.39Å; V163-F223 WeakPolarHBondContact CB-O 3.48Å
164	A	98.6	Very high	95.9	Very high	12 Å²	12	43.1 Å²	43.1	10%	0.099	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.8	164.2	0	0	0	0	0	109	L143 V151 T222 F223 L225	L143-A164 HydrophobicContact CD1-CB 4.3Å; V151-A164 HydrophobicContact CG1-CB 4.25Å; A164-T222 CarbonylContact O-C 3.55Å; A164-T222 WeakPolarHBondContact O-CA 3.29Å; A164-F223 HydrophobicContact CB-CB 4.34Å; A164-F223 PolarHBondContact N-O 2.73Å; A164-F223 PolarHBondContact O-N 2.97Å; A164-L225 HydrophobicContact CB-CD1 4.1Å
165	L	98.5	Very high	95.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	108.5	-175.7	169.1	62	0	0	0	109.6	I133 V151 V152 A154 I167 F213 C220 M221 T222	I133-L165 HydrophobicContact CB-CD2 4Å; I133-L165 HydrophobicContact CG1-CD2 3.92Å; I133-L165 HydrophobicContact CG2-CD2 4.1Å; V151-L165 WeakPolarHBondContact CA-O 3.42Å; V152-L165 HydrophobicContact CG2-CB 3.8Å; V152-L165 HydrophobicContact CG2-CD2 3.98Å; V152-L165 HydrophobicContact CG2-CG 4.05Å; V152-L165 PolarHBondContact N-O 3.46Å; V152-L165 PolarHBondContact O-N 3.27Å; A154-L165 HydrophobicContact CB-CB 4.2Å; A154-L165 HydrophobicContact CB-CD2 4.18Å; L165-I167 HydrophobicContact CD1-CG1 4.45Å; L165-I167 HydrophobicContact CD2-CD1 4.41Å; L165-I167 HydrophobicContact CD2-CG1 4.5Å; L165-I167 HydrophobicContact CG-CD1 4.41Å; L165-I167 HydrophobicContact CG-CG1 4.01Å; L165-F213 HydrophobicContact CD1-CZ 4.16Å; L165-C220 HydrophobicContact CD1-CB 4.04Å; L165-M221 CarbonylContact C-O 3.57Å; L165-M221 WeakPolarHBondContact CA-O 3.28Å; L165-T222 HydrophobicContact CB-CG2 4.46Å; L165-T222 HydrophobicContact CD1-CG2 3.73Å
166	K	98.3	Very high	95.5	Very high	9 Å²	9	47.8 Å²	47.8	4%	0.039	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	114.1	177.2	-169	177.7	-165.7	-172.1	0	108.7	F148 Q150 V151 I168 E181 C220 M221 F223 D348	F148-K166 HydrophobicContact CD2-CG 4.47Å; F148-K166 HydrophobicContact CE2-CD 4.46Å; F148-K166 VanDerWaalsContact CE2-CE 3.49Å; F148-K166 HydrophobicContact CE2-CG 4.27Å; Q150-K166 CarbonylContact O-C 3.56Å; Q150-K166 WeakPolarHBondContact O-CA 3.48Å; V151-K166 HydrophobicContact CG2-CB 4.25Å; V151-K166 HydrophobicContact CG2-CG 4.06Å; K166-I168 HydrophobicContact CD-CD1 4.15Å; K166-I168 HydrophobicContact CG-CD1 3.95Å; K166-E181 IonicContact NZ-OE1 3.19Å; K166-E181 PolarHBondContact NZ-OE1 2.87Å; K166-E181 IonicContact NZ-OE2 3.48Å; K166-E181 PolarHBondContact NZ-OE2 2.96Å; K166-C220 WeakPolarHBondContact O-CA 3.46Å; K166-M221 HydrophobicContact CB-CB 4.39Å; K166-M221 HydrophobicContact CD-CE 3.93Å; K166-M221 HydrophobicContact CG-CE 4.37Å; K166-M221 PolarHBondContact N-O 2.72Å; K166-M221 PolarHBondContact O-N 2.68Å; K166-F223 HydrophobicContact CB-CD2 4.39Å; K166-F223 HydrophobicContact CB-CE2 3.78Å; K166-F223 HydrophobicContact CD-CE2 4.14Å; K166-D348 IonicContact NZ-OD1 3.15Å; K166-D348 PolarHBondContact NZ-OD1 3.11Å
167	I	98.2	Very high	95.4	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	112	179.3	-51.6	176.2	0	0	0	108	Y125 I133 G149 Q150 V152 L165 H218	Y125-I167 HydrophobicContact CD1-CD1 4.37Å; Y125-I167 HydrophobicContact CG-CG2 4.39Å; I133-I167 HydrophobicContact CD1-CD1 4.08Å; I133-I167 HydrophobicContact CG1-CD1 4.26Å; G149-I167 VanDerWaalsContact CA-O 3.27Å; G149-I167 WeakPolarHBondContact CA-O 3.39Å; Q150-I167 PolarHBondContact N-O 3.19Å; Q150-I167 PolarHBondContact O-N 2.86Å; V152-I167 HydrophobicContact CG2-CD1 4.49Å; L165-I167 HydrophobicContact CD1-CG1 4.45Å; L165-I167 HydrophobicContact CD2-CD1 4.41Å; L165-I167 HydrophobicContact CD2-CG1 4.5Å; L165-I167 HydrophobicContact CG-CD1 4.41Å; L165-I167 HydrophobicContact CG-CG1 4.01Å; I167-H218 HydrophobicContact CG2-CB 3.85Å
168	I	97.7	Very high	95.4	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	140.7	-170.4	-61	-66	0	0	0	111.6	F148 K166 F174 A178 H218 I219 M221	F148-I168 HydrophobicContact CD2-CD1 4.34Å; F148-I168 WeakPolarHBondContact O-CA 3.29Å; K166-I168 HydrophobicContact CD-CD1 4.15Å; K166-I168 HydrophobicContact CG-CD1 3.95Å; I168-F174 HydrophobicContact CG2-CB 4.03Å; I168-A178 HydrophobicContact CB-CB 4.37Å; I168-A178 HydrophobicContact CD1-CB 4.1Å; I168-A178 HydrophobicContact CG1-CB 3.75Å; I168-A178 HydrophobicContact CG2-CB 3.97Å; I168-H218 PolarHBondContact O-ND1 2.86Å; I168-I219 HydrophobicContact CB-CB 4.19Å; I168-I219 WeakPolarHBondContact CB-O 3.32Å; I168-I219 HydrophobicContact CG1-CB 4.34Å; I168-I219 HydrophobicContact CG1-CG2 4.42Å; I168-I219 WeakPolarHBondContact CG1-O 3.48Å; I168-I219 PolarHBondContact N-O 2.95Å; I168-M221 HydrophobicContact CD1-CE 3.7Å; I168-M221 HydrophobicContact CG1-CE 3.64Å
169	R	95.3	Very high	95.5	Very high	43 Å²	43	51.7 Å²	51.7	16%	0.162	25%	0.249	C	C	.	.			trans	-56.5	134.2	174.1	-166.7	-171.1	-158.2	-166.3	10	110.6	D122 N123 F148 E171 F174	D122-R169 PolarHBondContact O-NE 3.02Å; D122-R169 PolarHBondContact O-NH2 2.95Å; D122-R169 IonicContact OD1-NH2 2.77Å; D122-R169 PolarHBondContact OD1-NH2 2.81Å; D122-R169 VanDerWaalsContact OD1-NH2 3.12Å; N123-R169 HydrophobicContact CB-CG 3.87Å; N123-R169 WeakPolarHBondContact O-CG 3.4Å; F148-R169 PolarHBondContact O-N 2.77Å; R169-E171 HydrophobicContact CG-CB 4.21Å; R169-E171 IonicContact CZ-OE2 3.72Å; R169-E171 IonicContact NE-OE2 3.17Å; R169-E171 IonicContact NH1-OE2 3.74Å; R169-E171 PolarHBondContact NH1-OE2 2.76Å; R169-E171 PolarHBondContact O-N 3.42Å; R169-F174 HydrophobicContact CB-CB 4.44Å; R169-F174 HydrophobicContact CB-CD2 4.06Å; R169-F174 HydrophobicContact CG-CD2 4.36Å
170	T	93.7	Very high	95.6	Very high	23 Å²	23	50.4 Å²	50.4	14%	0.141	24%	0.244	C	C	.	.	S	Bend	trans	-68.6	7.4	-178.9	43.2	0	0	0	0	115.1	N119 N123 K217	N119-T170 PolarHBondContact ND2-OG1 3.27Å; N119-T170 VanDerWaalsContact ND2-OG1 3.1Å; N123-T170 PolarHBondContact O-N 3.38Å; N123-T170 PolarHBondContact O-OG1 3.48Å; N123-T170 PolarHBondContact OD1-OG1 3.1Å; T170-K217 HydrophobicContact CG2-CB 3.99Å
171	E	93	Very high	95.7	Very high	56 Å²	56	48.4 Å²	48.4	26%	0.262	22%	0.223	S	C	.	.	S	Bend	trans	-69.1	136.7	175.8	-171	-170.6	139.6	0	0	110.6	R169 R173 F174 T175	R169-E171 HydrophobicContact CG-CB 4.21Å; R169-E171 IonicContact CZ-OE2 3.72Å; R169-E171 IonicContact NE-OE2 3.17Å; R169-E171 IonicContact NH1-OE2 3.74Å; R169-E171 PolarHBondContact NH1-OE2 2.76Å; R169-E171 PolarHBondContact O-N 3.42Å; E171-R173 PolarHBondContact O-N 3.38Å; E171-R173 VanDerWaalsContact O-N 3.12Å; E171-F174 HydrophobicContact CB-CD2 4.04Å; E171-F174 PolarHBondContact O-N 3.17Å; E171-F174 VanDerWaalsContact OE2-CE2 3.29Å; E171-F174 WeakPolarHBondContact OE2-CE2 3.23Å; E171-T175 WeakPolarHBondContact O-CB 3.49Å; E171-T175 PolarHBondContact O-N 3.16Å; E171-T175 PolarHBondContact O-OG1 3.41Å
172	P	93.1	Very high	95.9	Very high	108 Å²	108	46.9 Å²	46.9	70%	0.701	21%	0.211	S	C	*	.	H	α-helix	trans	-55.4	-33.1	-177.4	-29.6	36.2	0	0	0	114.7	R176	P172-R176 WeakPolarHBondContact O-CB 3.39Å; P172-R176 PolarHBondContact O-N 2.95Å
173	R	92.1	Very high	95.9	Very high	126 Å²	126	47.1 Å²	47.1	48%	0.475	21%	0.209	S	C	.	.	H	α-helix	trans	-62.7	-55.1	178.3	-178.6	-178.8	176.8	158.8	5.3	111.9	E171 T175 R176 Q177	E171-R173 PolarHBondContact O-N 3.38Å; E171-R173 VanDerWaalsContact O-N 3.12Å; R173-T175 VanDerWaalsContact C-N 3.33Å; R173-R176 PolarHBondContact O-N 3.49Å; R173-Q177 PolarHBondContact O-N 2.94Å
174	F	94.2	Very high	95.9	Very high	25 Å²	25	47.1 Å²	47.1	11%	0.11	21%	0.209	C	C	.	.	H	α-helix	trans	-70	-32.6	179.8	-60.4	-61.2	0	0	0	111.7	S147 F148 I168 R169 E171 R176 Q177 A178	S147-F174 VanDerWaalsContact O-CE2 3.27Å; S147-F174 WeakPolarHBondContact O-CE2 3.47Å; S147-F174 WeakPolarHBondContact O-CZ 3.17Å; F148-F174 HydrophobicContact CB-CD1 4.1Å; I168-F174 HydrophobicContact CG2-CB 4.03Å; R169-F174 HydrophobicContact CB-CB 4.44Å; R169-F174 HydrophobicContact CB-CD2 4.06Å; R169-F174 HydrophobicContact CG-CD2 4.36Å; E171-F174 HydrophobicContact CB-CD2 4.04Å; E171-F174 PolarHBondContact O-N 3.17Å; E171-F174 VanDerWaalsContact OE2-CE2 3.29Å; E171-F174 WeakPolarHBondContact OE2-CE2 3.23Å; F174-R176 VanDerWaalsContact C-N 3.3Å; F174-R176 PolarHBondContact O-N 2.72Å; F174-Q177 PolarHBondContact O-N 3.09Å; F174-A178 WeakPolarHBondContact O-CB 3.39Å; F174-A178 PolarHBondContact O-N 3.38Å
175	T	94.5	Very high	95.9	Very high	23 Å²	23	46.9 Å²	46.9	14%	0.141	21%	0.206	C	C	.	.	H	α-helix	trans	-60	-38.5	171.5	-55.1	0	0	0	0	112	E171 R173 R179 I219	E171-T175 WeakPolarHBondContact O-CB 3.49Å; E171-T175 PolarHBondContact O-N 3.16Å; E171-T175 PolarHBondContact O-OG1 3.41Å; R173-T175 VanDerWaalsContact C-N 3.33Å; T175-R179 WeakPolarHBondContact O-CG 3.39Å; T175-R179 PolarHBondContact O-N 2.84Å; T175-I219 HydrophobicContact CG2-CD1 3.75Å; T175-I219 HydrophobicContact CG2-CG1 4.44Å
176	R	94.4	Very high	95.7	Very high	151 Å²	151	50 Å²	50	57%	0.57	22%	0.22	S	C	*	.	H	α-helix	trans	-70.6	-45.1	173.3	-175.2	173.6	67.7	-154.1	2.7	112.2	P172 R173 F174 A178 R179 E180 Y360	P172-R176 WeakPolarHBondContact O-CB 3.39Å; P172-R176 PolarHBondContact O-N 2.95Å; R173-R176 PolarHBondContact O-N 3.49Å; F174-R176 VanDerWaalsContact C-N 3.3Å; F174-R176 PolarHBondContact O-N 2.72Å; R176-A178 VanDerWaalsContact C-N 3.33Å; R176-A178 PolarHBondContact O-N 2.93Å; R176-R179 PolarHBondContact O-N 2.99Å; R176-E180 PolarHBondContact O-N 3.15Å; R176-Y360 PolarHBondContact NH2-OH 3.44Å
177	Q	94.2	Very high	95.6	Very high	33 Å²	33	52 Å²	52	15%	0.154	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-41.5	178.2	-72.9	-177.8	-106.6	0	0	112.1	R173 F174 R179 E180 E181 G350	R173-Q177 PolarHBondContact O-N 2.94Å; F174-Q177 PolarHBondContact O-N 3.09Å; Q177-R179 VanDerWaalsContact C-N 3.32Å; Q177-R179 PolarHBondContact O-N 3.14Å; Q177-E180 PolarHBondContact O-N 3.02Å; Q177-E181 WeakPolarHBondContact O-CB 3.14Å; Q177-E181 PolarHBondContact O-N 2.85Å; Q177-G350 PolarHBondContact NE2-O 3.44Å
178	A	96.7	Very high	95.5	Very high	2 Å²	2	52.1 Å²	52.1	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-32.4	177.4	0	0	0	0	0	113.6	I168 F174 R176 I182 I219 M221	I168-A178 HydrophobicContact CB-CB 4.37Å; I168-A178 HydrophobicContact CD1-CB 4.1Å; I168-A178 HydrophobicContact CG1-CB 3.75Å; I168-A178 HydrophobicContact CG2-CB 3.97Å; F174-A178 WeakPolarHBondContact O-CB 3.39Å; F174-A178 PolarHBondContact O-N 3.38Å; R176-A178 VanDerWaalsContact C-N 3.33Å; R176-A178 PolarHBondContact O-N 2.93Å; A178-I182 WeakPolarHBondContact O-CD1 3.27Å; A178-I182 WeakPolarHBondContact O-CG1 3.4Å; A178-I182 PolarHBondContact O-N 2.88Å; A178-I219 HydrophobicContact CB-CD1 4.25Å; A178-I219 HydrophobicContact CB-CG2 4.17Å; A178-M221 HydrophobicContact CB-CE 3.96Å
179	R	96.7	Very high	95.2	Very high	158 Å²	158	55.5 Å²	55.5	60%	0.596	25%	0.247	S	C	*	.	H	α-helix	trans	-68.3	-38.9	174.5	-72.6	174.1	-178.5	146.2	1.5	112.1	T175 R176 Q177 R183 I219	T175-R179 WeakPolarHBondContact O-CG 3.39Å; T175-R179 PolarHBondContact O-N 2.84Å; R176-R179 PolarHBondContact O-N 2.99Å; Q177-R179 VanDerWaalsContact C-N 3.32Å; Q177-R179 PolarHBondContact O-N 3.14Å; R179-R183 WeakPolarHBondContact O-CB 3.07Å; R179-R183 PolarHBondContact O-N 2.94Å; R179-R183 VanDerWaalsContact O-N 3.08Å; R179-I219 HydrophobicContact CG-CD1 3.91Å
180	E	94.8	Very high	95.1	Very high	64 Å²	64	57.5 Å²	57.5	30%	0.299	26%	0.261	S	S	.	.	H	α-helix	trans	-73.3	-35.9	175.6	-154.6	65.2	-165.3	0	0	111.4	R176 Q177 R183 I184 F354	R176-E180 PolarHBondContact O-N 3.15Å; Q177-E180 PolarHBondContact O-N 3.02Å; E180-R183 PolarHBondContact O-N 2.77Å; E180-R183 IonicContact OE1-CZ 3.59Å; E180-R183 IonicContact OE1-NH1 3.53Å; E180-R183 PolarHBondContact OE1-NH1 3.47Å; E180-R183 IonicContact OE2-NH1 2.81Å; E180-I184 HydrophobicContact CG-CD1 4.14Å; E180-I184 VanDerWaalsContact O-CB 3.29Å; E180-I184 WeakPolarHBondContact O-CB 3.48Å; E180-I184 VanDerWaalsContact O-CG1 3.28Å; E180-I184 WeakPolarHBondContact O-CG1 3.4Å; E180-I184 PolarHBondContact O-N 3.47Å; E180-F354 WeakPolarHBondContact OE1-CD2 3.46Å; E180-F354 WeakPolarHBondContact OE1-CE2 3.07Å
181	E	97	Very high	94.9	Very high	5 Å²	5	59.3 Å²	59.3	2%	0.023	27%	0.268	C	S	.	.	H	α-helix	trans	-57	-48.7	171.2	-179	170.2	-161.7	0	0	111.8	K166 Q177 I184 L185 M221 F349	K166-E181 IonicContact NZ-OE1 3.19Å; K166-E181 PolarHBondContact NZ-OE1 2.87Å; K166-E181 IonicContact NZ-OE2 3.48Å; K166-E181 PolarHBondContact NZ-OE2 2.96Å; Q177-E181 WeakPolarHBondContact O-CB 3.14Å; Q177-E181 PolarHBondContact O-N 2.85Å; E181-I184 PolarHBondContact O-N 3.08Å; E181-L185 HydrophobicContact CG-CD1 3.8Å; E181-L185 WeakPolarHBondContact O-CB 3.3Å; E181-L185 WeakPolarHBondContact O-CD1 3.13Å; E181-L185 VanDerWaalsContact O-CG 3.25Å; E181-L185 WeakPolarHBondContact O-CG 3.31Å; E181-L185 PolarHBondContact O-N 3.07Å; E181-M221 HydrophobicContact CG-SD 4.31Å; E181-F349 HydrophobicContact CG-CB 4.07Å; E181-F349 PolarHBondContact OE1-N 3.37Å
182	I	98.2	Very high	94.8	Very high	11 Å²	11	59.9 Å²	59.9	6%	0.056	27%	0.268	C	S	.	.	H	α-helix	trans	-56.7	-54.9	174.4	-71.3	160.9	0	0	0	110.2	A178 I184 L185 E186 H212 I219 M221	A178-I182 WeakPolarHBondContact O-CD1 3.27Å; A178-I182 WeakPolarHBondContact O-CG1 3.4Å; A178-I182 PolarHBondContact O-N 2.88Å; I182-I184 VanDerWaalsContact C-N 3.29Å; I182-I184 PolarHBondContact O-N 3.23Å; I182-L185 PolarHBondContact O-N 3.07Å; I182-L185 VanDerWaalsContact O-N 3.11Å; I182-E186 HydrophobicContact CG2-CG 4.29Å; I182-E186 WeakPolarHBondContact O-CG 3.44Å; I182-E186 PolarHBondContact O-N 3.38Å; I182-H212 HydrophobicContact CD1-CB 3.72Å; I182-H212 HydrophobicContact CG1-CB 4.03Å; I182-H212 VanDerWaalsContact CG2-CD2 3.44Å; I182-H212 WeakPolarHBondContact CG2-CD2 3.44Å; I182-I219 HydrophobicContact CD1-CG2 3.89Å; I182-M221 HydrophobicContact CD1-CG 4Å; I182-M221 HydrophobicContact CD1-SD 4.11Å; I182-M221 HydrophobicContact CG1-CG 3.79Å; I182-M221 HydrophobicContact CG1-SD 3.53Å; I182-M221 VanDerWaalsContact CG1-SD 3.53Å
183	R	97.3	Very high	94.4	Very high	134 Å²	134	60.7 Å²	60.7	51%	0.506	26%	0.262	S	S	.	.	H	α-helix	trans	-57	-41	-178.4	-176.6	-172.5	-177.6	-161.3	5	112.8	R179 E180 T187	R179-R183 WeakPolarHBondContact O-CB 3.07Å; R179-R183 PolarHBondContact O-N 2.94Å; R179-R183 VanDerWaalsContact O-N 3.08Å; E180-R183 PolarHBondContact O-N 2.77Å; E180-R183 IonicContact OE1-CZ 3.59Å; E180-R183 IonicContact OE1-NH1 3.53Å; E180-R183 PolarHBondContact OE1-NH1 3.47Å; E180-R183 IonicContact OE2-NH1 2.81Å; R183-T187 WeakPolarHBondContact O-CB 3.46Å; R183-T187 PolarHBondContact O-N 2.93Å; R183-T187 PolarHBondContact O-OG1 3.35Å
184	I	97.5	Very high	94.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-48.2	176.7	-78.7	172.1	0	0	0	110.4	E180 E181 I182 E186 T187 L188 I266 F349 F354	E180-I184 HydrophobicContact CG-CD1 4.14Å; E180-I184 VanDerWaalsContact O-CB 3.29Å; E180-I184 WeakPolarHBondContact O-CB 3.48Å; E180-I184 VanDerWaalsContact O-CG1 3.28Å; E180-I184 WeakPolarHBondContact O-CG1 3.4Å; E180-I184 PolarHBondContact O-N 3.47Å; E181-I184 PolarHBondContact O-N 3.08Å; I182-I184 VanDerWaalsContact C-N 3.29Å; I182-I184 PolarHBondContact O-N 3.23Å; I184-E186 PolarHBondContact O-N 3.02Å; I184-T187 WeakPolarHBondContact O-CB 3.36Å; I184-T187 PolarHBondContact O-N 3.36Å; I184-L188 HydrophobicContact CG2-CD1 3.93Å; I184-L188 VanDerWaalsContact O-CG 3.26Å; I184-L188 WeakPolarHBondContact O-CG 3.31Å; I184-L188 PolarHBondContact O-N 3.48Å; I184-I266 HydrophobicContact CG1-CD1 4.45Å; I184-I266 HydrophobicContact CG2-CD1 4Å; I184-I266 HydrophobicContact CG2-CG2 4.07Å; I184-F349 HydrophobicContact CG2-CB 4.15Å; I184-F349 HydrophobicContact CG2-CD1 3.59Å; I184-F349 HydrophobicContact CG2-CE1 4.32Å; I184-F349 HydrophobicContact CG2-CG 4.15Å; I184-F354 HydrophobicContact CG1-CD2 4.47Å; I184-F354 HydrophobicContact CG1-CE2 3.79Å; I184-F354 HydrophobicContact CG1-CZ 3.93Å
185	L	97.6	Very high	93.3	Very high	7 Å²	7	61.8 Å²	61.8	4%	0.037	29%	0.291	C	S	.	.	H	α-helix	trans	-66	-36.9	179.9	-71.2	164.3	0	0	0	112.9	E181 I182 L188 R189 I207 L209 F223 F349	E181-L185 HydrophobicContact CG-CD1 3.8Å; E181-L185 WeakPolarHBondContact O-CB 3.3Å; E181-L185 WeakPolarHBondContact O-CD1 3.13Å; E181-L185 VanDerWaalsContact O-CG 3.25Å; E181-L185 WeakPolarHBondContact O-CG 3.31Å; E181-L185 PolarHBondContact O-N 3.07Å; I182-L185 PolarHBondContact O-N 3.07Å; I182-L185 VanDerWaalsContact O-N 3.11Å; L185-L188 PolarHBondContact O-N 3.38Å; L185-R189 WeakPolarHBondContact O-CB 3.45Å; L185-R189 PolarHBondContact O-N 3.09Å; L185-I207 HydrophobicContact CD2-CG2 3.77Å; L185-L209 HydrophobicContact CB-CB 4.16Å; L185-L209 HydrophobicContact CB-CD2 4.11Å; L185-L209 HydrophobicContact CD1-CB 4.31Å; L185-F223 HydrophobicContact CD1-CE1 3.76Å; L185-F223 HydrophobicContact CD1-CZ 4.17Å; L185-F349 HydrophobicContact CD2-CD2 3.73Å; L185-F349 HydrophobicContact CD2-CE2 4.11Å; L185-F349 HydrophobicContact CD2-CG 4.22Å; L185-F349 HydrophobicContact CG-CB 4.48Å; L185-F349 HydrophobicContact CG-CD2 4.48Å
186	E	96.4	Very high	91.7	Very high	65 Å²	65	62.7 Å²	62.7	30%	0.304	31%	0.306	S	S	.	.	H	α-helix	trans	-66.7	-42.4	172.8	-70.3	178.9	144.8	0	0	111.7	I182 I184 L188 R189 N190 L209 H212	I182-E186 HydrophobicContact CG2-CG 4.29Å; I182-E186 WeakPolarHBondContact O-CG 3.44Å; I182-E186 PolarHBondContact O-N 3.38Å; I184-E186 PolarHBondContact O-N 3.02Å; E186-L188 VanDerWaalsContact C-N 3.31Å; E186-L188 PolarHBondContact O-N 2.98Å; E186-R189 PolarHBondContact O-N 2.9Å; E186-N190 WeakPolarHBondContact O-CB 3.41Å; E186-N190 PolarHBondContact O-N 2.99Å; E186-N190 PolarHBondContact O-ND2 3.41Å; E186-N190 PolarHBondContact O-OD1 2.86Å; E186-L209 HydrophobicContact CG-CD2 4.28Å; E186-H212 IonicContact OE1-CD2 3.71Å; E186-H212 IonicContact OE1-NE2 2.89Å
187	T	95.6	Very high	89.7	Confident	52 Å²	52	59.7 Å²	59.7	32%	0.319	32%	0.322	S	S	.	.	H	α-helix	trans	-59	-44.3	174.4	-57.6	0	0	0	0	111.1	R183 I184 N190 M191 F354	R183-T187 WeakPolarHBondContact O-CB 3.46Å; R183-T187 PolarHBondContact O-N 2.93Å; R183-T187 PolarHBondContact O-OG1 3.35Å; I184-T187 WeakPolarHBondContact O-CB 3.36Å; I184-T187 PolarHBondContact O-N 3.36Å; T187-N190 PolarHBondContact O-N 2.9Å; T187-M191 WeakPolarHBondContact O-CB 3.42Å; T187-M191 PolarHBondContact O-N 2.84Å; T187-F354 HydrophobicContact CG2-CE1 4.4Å
188	L	94.7	Very high	87.7	Confident	6 Å²	6	67.4 Å²	67.4	3%	0.031	36%	0.358	C	S	.	.	H	α-helix	trans	-67.9	-36.7	177.6	-67.6	168.8	0	0	0	112.5	I184 L185 E186 R192 I206 F260 I261 A264 I266 F349	I184-L188 HydrophobicContact CG2-CD1 3.93Å; I184-L188 VanDerWaalsContact O-CG 3.26Å; I184-L188 WeakPolarHBondContact O-CG 3.31Å; I184-L188 PolarHBondContact O-N 3.48Å; L185-L188 PolarHBondContact O-N 3.38Å; E186-L188 VanDerWaalsContact C-N 3.31Å; E186-L188 PolarHBondContact O-N 2.98Å; L188-R192 WeakPolarHBondContact O-CB 3.36Å; L188-R192 PolarHBondContact O-N 3.32Å; L188-R192 VanDerWaalsContact O-N 3.1Å; L188-I206 HydrophobicContact CD1-CG2 4.49Å; L188-F260 HydrophobicContact CB-CE1 4.18Å; L188-F260 HydrophobicContact CD2-CD1 3.8Å; L188-F260 HydrophobicContact CD2-CE1 3.7Å; L188-I261 HydrophobicContact CD1-CG2 4.04Å; L188-I261 HydrophobicContact CD2-CB 4.41Å; L188-I261 HydrophobicContact CD2-CG2 3.91Å; L188-A264 HydrophobicContact CD2-CB 3.78Å; L188-I266 HydrophobicContact CD1-CD1 4.27Å; L188-I266 HydrophobicContact CD2-CD1 3.85Å; L188-I266 HydrophobicContact CG-CD1 3.87Å; L188-F349 HydrophobicContact CD1-CD1 4.28Å; L188-F349 HydrophobicContact CD1-CE1 3.7Å; L188-F349 HydrophobicContact CD1-CZ 4.01Å
189	R	92.6	Very high	85.8	Confident	73 Å²	73	71.3 Å²	71.3	28%	0.275	38%	0.378	S	S	.	.	H	α-helix	trans	-62.7	-52.3	172.7	-173.9	-159.8	-68.6	163	-6.9	110.9	L185 E186 M191 R192 E193 L209 Y210	L185-R189 WeakPolarHBondContact O-CB 3.45Å; L185-R189 PolarHBondContact O-N 3.09Å; E186-R189 PolarHBondContact O-N 2.9Å; R189-M191 VanDerWaalsContact C-N 3.3Å; R189-M191 PolarHBondContact O-N 2.96Å; R189-R192 WeakPolarHBondContact O-CA 3.44Å; R189-R192 WeakPolarHBondContact O-CB 3.39Å; R189-R192 PolarHBondContact O-N 2.8Å; R189-E193 VanDerWaalsContact CD-OE1 3.31Å; R189-E193 WeakPolarHBondContact CD-OE1 3.24Å; R189-E193 VanDerWaalsContact CG-OE1 3.23Å; R189-E193 WeakPolarHBondContact CG-OE1 3.28Å; R189-E193 PolarHBondContact O-N 3.28Å; R189-L209 PolarHBondContact NH2-O 2.81Å; R189-Y210 PolarHBondContact NH2-O 3.25Å
190	N	92.1	Very high	84.2	Confident	86 Å²	86	67.9 Å²	67.9	46%	0.46	37%	0.371	S	S	.	.	H	α-helix	trans	-60.9	-41.2	-178.3	-62.8	-5.7	0	0	0	111	E186 T187 R192 E193 C194	E186-N190 WeakPolarHBondContact O-CB 3.41Å; E186-N190 PolarHBondContact O-N 2.99Å; E186-N190 PolarHBondContact O-ND2 3.41Å; E186-N190 PolarHBondContact O-OD1 2.86Å; T187-N190 PolarHBondContact O-N 2.9Å; N190-R192 VanDerWaalsContact C-N 3.32Å; N190-R192 PolarHBondContact O-N 3.02Å; N190-E193 PolarHBondContact O-N 3.09Å; N190-C194 WeakPolarHBondContact O-CB 3.31Å; N190-C194 PolarHBondContact O-N 3.4Å; N190-C194 PolarHBondContact O-SG 2.86Å; N190-C194 VanDerWaalsContact O-SG 3.33Å
191	M	91.4	Very high	82.8	Confident	61 Å²	61	69.7 Å²	69.7	30%	0.3	38%	0.375	S	S	.	.	H	α-helix	trans	-62.5	-37.7	174.9	-174.4	176.2	-166.7	0	0	112.6	T187 R189 S195 F260 K263 A264	T187-M191 WeakPolarHBondContact O-CB 3.42Å; T187-M191 PolarHBondContact O-N 2.84Å; R189-M191 VanDerWaalsContact C-N 3.3Å; R189-M191 PolarHBondContact O-N 2.96Å; M191-S195 PolarHBondContact O-N 3.08Å; M191-S195 PolarHBondContact O-OG 2.82Å; M191-F260 HydrophobicContact CB-CZ 3.87Å; M191-F260 HydrophobicContact CG-CE2 4.03Å; M191-F260 HydrophobicContact CG-CZ 3.73Å; M191-F260 HydrophobicContact SD-CE1 4.43Å; M191-F260 HydrophobicContact SD-CE2 4.15Å; M191-F260 HydrophobicContact SD-CZ 3.98Å; M191-K263 HydrophobicContact CE-CB 3.81Å; M191-A264 HydrophobicContact SD-CB 3.71Å
192	R	88.9	Confident	81.4	Confident	68 Å²	68	71.4 Å²	71.4	26%	0.257	38%	0.382	S	S	.	.	H	α-helix	trans	-66.2	-44.2	175.2	162.8	172.1	-176.4	-121.1	-16.5	111.3	L188 R189 N190 S195 F204 N208 F260	L188-R192 WeakPolarHBondContact O-CB 3.36Å; L188-R192 PolarHBondContact O-N 3.32Å; L188-R192 VanDerWaalsContact O-N 3.1Å; R189-R192 WeakPolarHBondContact O-CA 3.44Å; R189-R192 WeakPolarHBondContact O-CB 3.39Å; R189-R192 PolarHBondContact O-N 2.8Å; N190-R192 VanDerWaalsContact C-N 3.32Å; N190-R192 PolarHBondContact O-N 3.02Å; R192-S195 WeakPolarHBondContact O-CB 3.46Å; R192-S195 PolarHBondContact O-N 3.28Å; R192-F204 HydrophobicContact CB-CD1 4.17Å; R192-F204 HydrophobicContact CB-CE1 4.01Å; R192-F204 HydrophobicContact CB-CZ 4.18Å; R192-F204 VanDerWaalsContact CD-CD2 3.5Å; R192-F204 HydrophobicContact CG-CD1 4.11Å; R192-F204 HydrophobicContact CG-CD2 3.81Å; R192-F204 HydrophobicContact CG-CE1 3.99Å; R192-F204 HydrophobicContact CG-CE2 3.63Å; R192-F204 HydrophobicContact CG-CG 4.01Å; R192-F204 HydrophobicContact CG-CZ 3.73Å; R192-N208 PolarHBondContact NH1-OD1 3.29Å; R192-F260 HydrophobicContact CB-CZ 4.06Å
193	E	86	Confident	80.3	Confident	124 Å²	124	74.1 Å²	74.1	58%	0.579	40%	0.397	S	S	*	.	H	α-helix	trans	-66.3	-41.3	179.2	-71	169.1	-171.9	0	0	111.8	R189 N190 S195	R189-E193 VanDerWaalsContact CD-OE1 3.31Å; R189-E193 WeakPolarHBondContact CD-OE1 3.24Å; R189-E193 VanDerWaalsContact CG-OE1 3.23Å; R189-E193 WeakPolarHBondContact CG-OE1 3.28Å; R189-E193 PolarHBondContact O-N 3.28Å; N190-E193 PolarHBondContact O-N 3.09Å; E193-S195 PolarHBondContact O-N 3.27Å
194	C	84.3	Confident	79.7	Confident	117 Å²	117	68.6 Å²	68.6	79%	0.791	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-9.7	173.1	-69.1	0	0	0	0	114.6	N190 G196	N190-C194 WeakPolarHBondContact O-CB 3.31Å; N190-C194 PolarHBondContact O-N 3.4Å; N190-C194 PolarHBondContact O-SG 2.86Å; N190-C194 VanDerWaalsContact O-SG 3.33Å; C194-G196 VanDerWaalsContact C-N 3.28Å; C194-G196 PolarHBondContact O-N 3.44Å
195	S	78.8	Confident	79.5	Confident	57 Å²	57	68.9 Å²	68.9	40%	0.399	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	0.8	-178.6	-63.8	0	0	0	0	114.4	M191 R192 E193	M191-S195 PolarHBondContact O-N 3.08Å; M191-S195 PolarHBondContact O-OG 2.82Å; R192-S195 WeakPolarHBondContact O-CB 3.46Å; R192-S195 PolarHBondContact O-N 3.28Å; E193-S195 PolarHBondContact O-N 3.27Å
196	G	60.2	Low	79.5	Confident	43 Å²	43	69.2 Å²	69.2	44%	0.443	38%	0.379	S	S	.	.			trans	89.4	133.2	-176	0	0	0	0	0	112.5	C194 E198	C194-G196 VanDerWaalsContact C-N 3.28Å; C194-G196 PolarHBondContact O-N 3.44Å; G196-E198 PolarHBondContact O-N 3.47Å
197	G	52.2	Low	79.5	Confident	88 Å²	88	67 Å²	67	91%	0.907	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	3.4	-165	0	0	0	0	0	117.6
198	E	52.3	Low	79.4	Confident	195 Å²	195	66.4 Å²	66.4	91%	0.911	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-19.7	-178.2	-63.2	-173.3	144.5	0	0	113.8	G196 N200	G196-E198 PolarHBondContact O-N 3.47Å; E198-N200 PolarHBondContact O-N 3.35Å
199	L	56.3	Low	79.5	Confident	83 Å²	83	66.4 Å²	66.4	44%	0.435	37%	0.365	S	S	.	.	S	Bend	trans	-69	121.2	-179.6	-78.8	163.1	0	0	0	110.9	D203 F204	L199-D203 HydrophobicContact CD2-CB 4.18Å; L199-F204 HydrophobicContact CB-CD2 4.43Å; L199-F204 HydrophobicContact CB-CE2 3.37Å; L199-F204 HydrophobicContact CB-CZ 3.71Å; L199-F204 HydrophobicContact CD1-CE2 4.26Å; L199-F204 HydrophobicContact CD1-CZ 3.68Å; L199-F204 HydrophobicContact CG-CE2 4.39Å; L199-F204 HydrophobicContact CG-CZ 4.29Å
200	N	63.4	Low	79.6	Confident	86 Å²	86	67 Å²	67	46%	0.46	37%	0.368	S	S	.	.			trans	-66.7	154.7	-169.5	-161.6	-41	0	0	0	110.4	E198 Y202 D203	E198-N200 PolarHBondContact O-N 3.35Å; N200-Y202 PolarHBondContact O-N 2.99Å; N200-Y202 VanDerWaalsContact OD1-CD2 3.29Å; N200-Y202 WeakPolarHBondContact OD1-CD2 3.25Å; N200-D203 VanDerWaalsContact CB-OD2 3.22Å; N200-D203 WeakPolarHBondContact CB-OD2 3.26Å; N200-D203 PolarHBondContact N-OD2 2.94Å; N200-D203 WeakPolarHBondContact O-CB 3.42Å; N200-D203 PolarHBondContact O-N 3.22Å
201	R	65.5	Low	79.8	Confident	102 Å²	102	65.6 Å²	65.6	39%	0.385	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-17.6	176.8	77.1	-176.3	-160.3	159	10	113.6	Q282	R201-Q282 VanDerWaalsContact NH2-CD 3.31Å
202	Y	67.5	Low	80.1	Confident	42 Å²	42	66.8 Å²	66.8	17%	0.165	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-19.1	176.8	-60.8	-63.6	0	0	0	114.2	N200 F204 Q282 Y343	N200-Y202 PolarHBondContact O-N 2.99Å; N200-Y202 VanDerWaalsContact OD1-CD2 3.29Å; N200-Y202 WeakPolarHBondContact OD1-CD2 3.25Å; Y202-F204 PolarHBondContact O-N 3.09Å; Y202-Q282 PolarHBondContact OH-OE1 2.85Å; Y202-Y343 AromaticContact CD1-CD1 3.42Å; Y202-Y343 HydrophobicContact CD1-CD1 3.42Å; Y202-Y343 VanDerWaalsContact CD1-CD1 3.42Å; Y202-Y343 AromaticContact CD1-CD2 3.71Å; Y202-Y343 HydrophobicContact CD1-CD2 3.71Å; Y202-Y343 AromaticContact CD1-CE1 3.64Å; Y202-Y343 HydrophobicContact CD1-CE1 3.64Å; Y202-Y343 AromaticContact CD1-CE2 3.87Å; Y202-Y343 HydrophobicContact CD1-CE2 3.87Å; Y202-Y343 AromaticContact CD1-CG 3.46Å; Y202-Y343 HydrophobicContact CD1-CG 3.46Å; Y202-Y343 VanDerWaalsContact CD1-CG 3.46Å; Y202-Y343 AromaticContact CD1-CZ 3.83Å; Y202-Y343 HydrophobicContact CD2-CE1 4.33Å; Y202-Y343 HydrophobicContact CD2-CE2 4.31Å; Y202-Y343 AromaticContact CD2-CZ 3.99Å; Y202-Y343 HydrophobicContact CE1-CD1 4.07Å; Y202-Y343 AromaticContact CE1-CD2 3.47Å; Y202-Y343 HydrophobicContact CE1-CD2 3.47Å; Y202-Y343 VanDerWaalsContact CE1-CD2 3.47Å; Y202-Y343 HydrophobicContact CE1-CE1 4.35Å; Y202-Y343 AromaticContact CE1-CE2 3.74Å; Y202-Y343 HydrophobicContact CE1-CE2 3.74Å; Y202-Y343 AromaticContact CE1-CG 3.62Å; Y202-Y343 HydrophobicContact CE1-CG 3.62Å; Y202-Y343 HydrophobicContact CE2-CE2 4.19Å; Y202-Y343 AromaticContact CG-CD1 3.89Å; Y202-Y343 HydrophobicContact CG-CD1 3.89Å; Y202-Y343 HydrophobicContact CG-CD2 4.43Å; Y202-Y343 AromaticContact CG-CE1 3.62Å; Y202-Y343 HydrophobicContact CG-CE1 3.62Å; Y202-Y343 HydrophobicContact CG-CE2 4.15Å; Y202-Y343 HydrophobicContact CG-CG 4.3Å; Y202-Y343 AromaticContact CG-CZ 3.73Å; Y202-Y343 AromaticContact CZ-CE2 3.9Å
203	D	75.3	Confident	80.5	Confident	68 Å²	68	65.4 Å²	65.4	36%	0.364	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-16.3	175.7	-67.1	-60.1	0	0	0	112.6	L199 N200 P205	L199-D203 HydrophobicContact CD2-CB 4.18Å; N200-D203 VanDerWaalsContact CB-OD2 3.22Å; N200-D203 WeakPolarHBondContact CB-OD2 3.26Å; N200-D203 PolarHBondContact N-OD2 2.94Å; N200-D203 WeakPolarHBondContact O-CB 3.42Å; N200-D203 PolarHBondContact O-N 3.22Å; D203-P205 WeakPolarHBondContact O-CD 3.21Å
204	F	85.6	Confident	81	Confident	18 Å²	18	63.9 Å²	63.9	8%	0.079	36%	0.358	C	S	.	.	S	Bend	trans	-112.7	80.8	172.6	-53.7	-83.4	0	0	0	111	R192 L199 Y202 I206 F260	R192-F204 HydrophobicContact CB-CD1 4.17Å; R192-F204 HydrophobicContact CB-CE1 4.01Å; R192-F204 HydrophobicContact CB-CZ 4.18Å; R192-F204 VanDerWaalsContact CD-CD2 3.5Å; R192-F204 HydrophobicContact CG-CD1 4.11Å; R192-F204 HydrophobicContact CG-CD2 3.81Å; R192-F204 HydrophobicContact CG-CE1 3.99Å; R192-F204 HydrophobicContact CG-CE2 3.63Å; R192-F204 HydrophobicContact CG-CG 4.01Å; R192-F204 HydrophobicContact CG-CZ 3.73Å; L199-F204 HydrophobicContact CB-CD2 4.43Å; L199-F204 HydrophobicContact CB-CE2 3.37Å; L199-F204 HydrophobicContact CB-CZ 3.71Å; L199-F204 HydrophobicContact CD1-CE2 4.26Å; L199-F204 HydrophobicContact CD1-CZ 3.68Å; L199-F204 HydrophobicContact CG-CE2 4.39Å; L199-F204 HydrophobicContact CG-CZ 4.29Å; Y202-F204 PolarHBondContact O-N 3.09Å; F204-I206 PolarHBondContact O-N 3.1Å; F204-F260 AromaticContact CD1-CD2 3.97Å; F204-F260 HydrophobicContact CD1-CD2 3.97Å; F204-F260 AromaticContact CD1-CE2 3.81Å; F204-F260 HydrophobicContact CD1-CE2 3.81Å; F204-F260 HydrophobicContact CD1-CG 4.44Å; F204-F260 HydrophobicContact CD1-CZ 4.1Å; F204-F260 AromaticContact CE1-CD2 3.95Å; F204-F260 HydrophobicContact CE1-CD2 3.95Å; F204-F260 AromaticContact CE1-CE2 3.52Å; F204-F260 HydrophobicContact CE1-CE2 3.52Å; F204-F260 HydrophobicContact CE1-CZ 4.05Å
205	P	93.7	Very high	81.6	Confident	6 Å²	6	58.4 Å²	58.4	4%	0.039	32%	0.321	C	S	.	.			trans	-75	55.6	179.1	27.9	-31.9	0	0	0	113	D203 Q253 K256 A257 V344 K345 L346	D203-P205 WeakPolarHBondContact O-CD 3.21Å; P205-Q253 HydrophobicContact CB-CB 4.18Å; P205-Q253 HydrophobicContact CG-CB 4.17Å; P205-Q253 WeakPolarHBondContact CG-O 3.39Å; P205-K256 HydrophobicContact CG-CB 3.91Å; P205-A257 HydrophobicContact CG-CB 4.11Å; P205-V344 WeakPolarHBondContact CB-O 3.36Å; P205-K345 WeakPolarHBondContact O-CA 3.23Å; P205-L346 PolarHBondContact O-N 3.22Å
206	I	95.7	Very high	82.3	Confident	13 Å²	13	57 Å²	57	7%	0.067	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-127.2	144.6	178.1	-65	173.2	0	0	0	108.5	L188 F204 N208 A257 F260 I261 K345 F349	L188-I206 HydrophobicContact CD1-CG2 4.49Å; F204-I206 PolarHBondContact O-N 3.1Å; I206-N208 PolarHBondContact O-N 2.8Å; I206-A257 HydrophobicContact CG1-CB 3.99Å; I206-F260 HydrophobicContact CD1-CB 4.33Å; I206-F260 HydrophobicContact CD1-CD1 3.54Å; I206-F260 HydrophobicContact CD1-CE1 4.3Å; I206-F260 HydrophobicContact CD1-CG 4.33Å; I206-I261 HydrophobicContact CD1-CG2 3.71Å; I206-K345 WeakPolarHBondContact O-CD 3.43Å; I206-K345 WeakPolarHBondContact O-CE 3.46Å; I206-K345 PolarHBondContact O-NZ 2.81Å; I206-F349 HydrophobicContact CG2-CE2 3.93Å; I206-F349 HydrophobicContact CG2-CZ 3.94Å
207	I	96.3	Very high	83.9	Confident	18 Å²	18	60.7 Å²	60.7	9%	0.092	31%	0.31	C	S	.	.			trans	-59.2	128.5	178.2	-166.7	73.9	0	0	0	112.5	L185 L209 F223 E224 L226 L346 I347 F349	L185-I207 HydrophobicContact CD2-CG2 3.77Å; I207-L209 PolarHBondContact O-N 2.99Å; I207-F223 HydrophobicContact CD1-CB 4.31Å; I207-F223 HydrophobicContact CG1-CB 4.1Å; I207-F223 HydrophobicContact CG1-CD1 3.52Å; I207-F223 HydrophobicContact CG1-CE1 4.26Å; I207-F223 HydrophobicContact CG1-CG 4.14Å; I207-F223 HydrophobicContact CG2-CD1 4.28Å; I207-F223 HydrophobicContact CG2-CE1 4.23Å; I207-E224 HydrophobicContact CD1-CG 3.75Å; I207-L226 HydrophobicContact CD1-CD1 3.48Å; I207-L226 VanDerWaalsContact CD1-CD1 3.48Å; I207-L226 HydrophobicContact CD1-CG 3.91Å; I207-L346 PolarHBondContact N-O 3.24Å; I207-I347 HydrophobicContact CB-CG2 4.15Å; I207-I347 HydrophobicContact CD1-CG2 4.16Å; I207-I347 HydrophobicContact CG1-CG2 4.45Å; I207-F349 HydrophobicContact CG2-CD2 4.45Å; I207-F349 HydrophobicContact CG2-CE2 4.39Å
208	N	94.3	Very high	86.1	Confident	40 Å²	40	56.5 Å²	56.5	21%	0.214	27%	0.267	C	S	.	.			trans	-76.2	105.7	167.9	-68.7	-53.9	0	0	0	109	R192 I206 Y210 F223 E224 K345	R192-N208 PolarHBondContact NH1-OD1 3.29Å; I206-N208 PolarHBondContact O-N 2.8Å; N208-Y210 HydrophobicContact CB-CE1 4.21Å; N208-F223 VanDerWaalsContact O-CA 3.3Å; N208-F223 WeakPolarHBondContact O-CA 3.37Å; N208-E224 HydrophobicContact CB-CB 4.43Å; N208-E224 HydrophobicContact CB-CG 4.29Å; N208-E224 WeakPolarHBondContact CB-OE1 3.22Å; N208-E224 PolarHBondContact N-OE1 3.22Å; N208-E224 VanDerWaalsContact ND2-CD 3.29Å; N208-E224 PolarHBondContact ND2-OE1 3.08Å; N208-E224 PolarHBondContact ND2-OE2 2.94Å; N208-E224 PolarHBondContact O-N 3.24Å; N208-K345 PolarHBondContact ND2-NZ 3.03Å
209	L	96.5	Very high	88.3	Confident	7 Å²	7	47.9 Å²	47.9	4%	0.037	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	136.7	151.7	-178.1	71.4	0	0	0	107.9	L185 E186 R189 I207 M221 F223	L185-L209 HydrophobicContact CB-CB 4.16Å; L185-L209 HydrophobicContact CB-CD2 4.11Å; L185-L209 HydrophobicContact CD1-CB 4.31Å; E186-L209 HydrophobicContact CG-CD2 4.28Å; R189-L209 PolarHBondContact NH2-O 2.81Å; I207-L209 PolarHBondContact O-N 2.99Å; L209-M221 HydrophobicContact CD1-CB 3.81Å; L209-M221 HydrophobicContact CD1-CG 4.04Å; L209-F223 HydrophobicContact CB-CD1 4.25Å; L209-F223 HydrophobicContact CB-CE1 4.11Å; L209-F223 HydrophobicContact CD1-CD1 4.21Å; L209-F223 HydrophobicContact CD1-CE1 3.79Å; L209-F223 HydrophobicContact CD1-CE2 4.45Å; L209-F223 HydrophobicContact CD1-CZ 3.92Å
210	Y	95.5	Very high	90.3	Very high	86 Å²	86	43.9 Å²	43.9	34%	0.337	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-67.7	169.2	-64.7	-37.1	0	0	0	110.1	V163 R189 N208 T222 E224	V163-Y210 HydrophobicContact CG1-CD2 4.14Å; V163-Y210 HydrophobicContact CG1-CE2 4.05Å; R189-Y210 PolarHBondContact NH2-O 3.25Å; N208-Y210 HydrophobicContact CB-CE1 4.21Å; Y210-T222 PolarHBondContact N-O 2.88Å; Y210-E224 HydrophobicContact CE1-CB 4.45Å; Y210-E224 HydrophobicContact CE2-CB 4.25Å; Y210-E224 WeakPolarHBondContact OH-CB 3.37Å
211	E	95.2	Very high	92	Very high	56 Å²	56	39.8 Å²	39.8	26%	0.262	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	157.7	-176.7	-70.2	161.5	-128.3	0	0	110.6	R136 Y137 K159 T222	R136-E211 IonicContact CZ-OE1 2.68Å; R136-E211 IonicContact CZ-OE2 2.91Å; R136-E211 IonicContact NH1-OE1 3.73Å; R136-E211 IonicContact NH1-OE2 3.04Å; R136-E211 PolarHBondContact NH1-OE2 2.72Å; R136-E211 IonicContact NH2-OE1 3.44Å; R136-E211 PolarHBondContact NH2-OE1 2.85Å; R136-E211 IonicContact NH2-OE2 3.84Å; R136-E211 PolarHBondContact NH2-OE2 3.36Å; Y137-E211 PolarHBondContact OH-OE2 3.22Å; K159-E211 VanDerWaalsContact CE-OE1 3.26Å; K159-E211 WeakPolarHBondContact CE-OE1 3.5Å; K159-E211 IonicContact NZ-OE1 3.48Å; K159-E211 PolarHBondContact NZ-OE1 3.48Å; E211-T222 PolarHBondContact N-OG1 2.98Å; E211-T222 PolarHBondContact O-N 2.67Å; E211-T222 PolarHBondContact O-OG1 3.49Å
212	H	97.7	Very high	93.5	Very high	85 Å²	85	35 Å²	35	39%	0.394	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	150.2	167.2	76.3	83.9	0	0	0	110	I182 E186 C220 M221	I182-H212 HydrophobicContact CD1-CB 3.72Å; I182-H212 HydrophobicContact CG1-CB 4.03Å; I182-H212 VanDerWaalsContact CG2-CD2 3.44Å; I182-H212 WeakPolarHBondContact CG2-CD2 3.44Å; E186-H212 IonicContact OE1-CD2 3.71Å; E186-H212 IonicContact OE1-NE2 2.89Å; H212-C220 CarbonylContact C-O 3.12Å; H212-C220 WeakPolarHBondContact CA-O 3.48Å; H212-M221 HydrophobicContact CB-CG 3.98Å
213	F	97.4	Very high	95	Very high	39 Å²	39	33.8 Å²	33.8	17%	0.171	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	175.8	180	54.2	-89.1	0	0	0	110.6	I133 A134 Y137 L165 F215 C220 T222	I133-F213 HydrophobicContact CG2-CE2 3.65Å; I133-F213 HydrophobicContact CG2-CZ 3.86Å; A134-F213 HydrophobicContact CB-CD2 3.9Å; A134-F213 HydrophobicContact CB-CE2 3.53Å; A134-F213 HydrophobicContact CB-CZ 4.1Å; Y137-F213 HydrophobicContact CD2-CE1 4.13Å; Y137-F213 AromaticContact CD2-CZ 3.78Å; Y137-F213 HydrophobicContact CD2-CZ 3.78Å; Y137-F213 HydrophobicContact CE2-CD1 4.4Å; Y137-F213 AromaticContact CE2-CE1 3.4Å; Y137-F213 HydrophobicContact CE2-CE1 3.4Å; Y137-F213 AromaticContact CE2-CZ 3.53Å; Y137-F213 HydrophobicContact CE2-CZ 3.53Å; Y137-F213 AromaticContact CZ-CE1 3.99Å; L165-F213 HydrophobicContact CD1-CZ 4.16Å; F213-F215 HydrophobicContact CD2-CB 4.21Å; F213-F215 HydrophobicContact CE2-CB 4.05Å; F213-C220 HydrophobicContact CD1-CB 4.4Å; F213-C220 HydrophobicContact CD2-CB 3.72Å; F213-C220 HydrophobicContact CE1-CB 4.07Å; F213-C220 HydrophobicContact CE2-CB 3.32Å; F213-C220 HydrophobicContact CG-CB 4.23Å; F213-C220 HydrophobicContact CZ-CB 3.52Å; F213-C220 PolarHBondContact N-O 2.95Å; F213-C220 PolarHBondContact O-N 3.46Å; F213-T222 HydrophobicContact CE1-CG2 4.2Å
214	T	97	Very high	95.9	Very high	92 Å²	92	31.8 Å²	31.8	56%	0.564	15%	0.151	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.6	172.5	-59	0	0	0	0	110	H218	T214-H218 CarbonylContact C-O 3.55Å; T214-H218 WeakPolarHBondContact CA-O 3.32Å
215	F	96.6	Very high	96.4	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	124.8	177.5	179.7	-105	0	0	0	109.3	Y59 Y125 H132 I133 A134 F213 K217 H218	Y59-F215 WeakPolarHBondContact OH-CD2 3.35Å; Y125-F215 HydrophobicContact CE2-CD1 4.49Å; Y125-F215 HydrophobicContact CE2-CE1 4.15Å; Y125-F215 AromaticContact CZ-CE1 3.96Å; H132-F215 AromaticContact CD2-CE2 4Å; H132-F215 AromaticContact CD2-CZ 3.71Å; H132-F215 AromaticContact NE2-CZ 3.78Å; I133-F215 HydrophobicContact CD1-CD1 3.65Å; I133-F215 HydrophobicContact CD1-CE1 3.45Å; I133-F215 VanDerWaalsContact CD1-CE1 3.45Å; I133-F215 HydrophobicContact CD1-CZ 4.37Å; I133-F215 HydrophobicContact CG2-CB 4.2Å; I133-F215 HydrophobicContact CG2-CD1 3.93Å; I133-F215 HydrophobicContact CG2-CE1 4.4Å; I133-F215 HydrophobicContact CG2-CG 3.98Å; A134-F215 HydrophobicContact CB-CD2 4.09Å; F213-F215 HydrophobicContact CD2-CB 4.21Å; F213-F215 HydrophobicContact CE2-CB 4.05Å; F215-K217 VanDerWaalsContact C-N 3.29Å; F215-K217 PolarHBondContact O-N 2.73Å; F215-H218 PolarHBondContact N-O 2.99Å; F215-H218 WeakPolarHBondContact O-CA 3.11Å; F215-H218 WeakPolarHBondContact O-CB 3.36Å; F215-H218 PolarHBondContact O-N 3.09Å
216	R	95.1	Very high	96.5	Very high	28 Å²	28	33.4 Å²	33.4	11%	0.106	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	47.5	179.7	-61.7	179.2	-177.9	157.5	2.6	113.5	E52 E55 Y125 H132 H218	E52-R216 IonicContact OE1-NH2 3.64Å; E55-R216 WeakPolarHBondContact OE1-CG 3.43Å; E55-R216 IonicContact OE1-CZ 2.69Å; E55-R216 IonicContact OE1-NE 3.36Å; E55-R216 PolarHBondContact OE1-NE 3.26Å; E55-R216 IonicContact OE1-NH2 2.69Å; E55-R216 IonicContact OE2-CZ 3.29Å; E55-R216 IonicContact OE2-NE 2.83Å; E55-R216 PolarHBondContact OE2-NE 3.41Å; E55-R216 IonicContact OE2-NH2 3.21Å; E55-R216 PolarHBondContact OE2-NH2 2.93Å; Y125-R216 HydrophobicContact CE2-CB 4.46Å; Y125-R216 PolarHBondContact OH-NH1 2.95Å; H132-R216 PolarHBondContact NE2-NH2 3.19Å; H132-R216 VanDerWaalsContact NE2-NH2 3.19Å; R216-H218 PolarHBondContact O-CD2 3.21Å; R216-H218 VanDerWaalsContact O-CD2 3.3Å; R216-H218 PolarHBondContact O-N 2.68Å
217	K	93.8	Very high	96.4	Very high	120 Å²	120	33.7 Å²	33.7	52%	0.522	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	-11.4	-171.5	-57.7	-171.5	178.9	-172.3	0	116.6	T170 F215	T170-K217 HydrophobicContact CG2-CB 3.99Å; F215-K217 VanDerWaalsContact C-N 3.29Å; F215-K217 PolarHBondContact O-N 2.73Å
218	H	97.5	Very high	96.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	132.6	175.3	-64.8	-88.9	0	0	0	112	N119 Y125 I167 I168 T214 F215 R216 C220	N119-H218 PolarHBondContact ND2-NE2 2.85Å; N119-H218 PolarHBondContact OD1-NE2 3.11Å; Y125-H218 AromaticContact CD2-CD2 3.68Å; Y125-H218 AromaticContact CD2-NE2 3.77Å; Y125-H218 PolarHBondContact N-CE1 2.59Å; Y125-H218 VanDerWaalsContact N-CE1 3.25Å; I167-H218 HydrophobicContact CG2-CB 3.85Å; I168-H218 PolarHBondContact O-ND1 2.86Å; T214-H218 CarbonylContact C-O 3.55Å; T214-H218 WeakPolarHBondContact CA-O 3.32Å; F215-H218 PolarHBondContact N-O 2.99Å; F215-H218 WeakPolarHBondContact O-CA 3.11Å; F215-H218 WeakPolarHBondContact O-CB 3.36Å; F215-H218 PolarHBondContact O-N 3.09Å; R216-H218 PolarHBondContact O-CD2 3.21Å; R216-H218 VanDerWaalsContact O-CD2 3.3Å; R216-H218 PolarHBondContact O-N 2.68Å; H218-C220 PolarHBondContact O-N 3.11Å
219	I	98.2	Very high	96.4	Very high	13 Å²	13	33.7 Å²	33.7	7%	0.067	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	129.7	163.5	-65.5	178.8	0	0	0	108.1	I168 T175 A178 R179 I182	I168-I219 HydrophobicContact CB-CB 4.19Å; I168-I219 WeakPolarHBondContact CB-O 3.32Å; I168-I219 HydrophobicContact CG1-CB 4.34Å; I168-I219 HydrophobicContact CG1-CG2 4.42Å; I168-I219 WeakPolarHBondContact CG1-O 3.48Å; I168-I219 PolarHBondContact N-O 2.95Å; T175-I219 HydrophobicContact CG2-CD1 3.75Å; T175-I219 HydrophobicContact CG2-CG1 4.44Å; A178-I219 HydrophobicContact CB-CD1 4.25Å; A178-I219 HydrophobicContact CB-CG2 4.17Å; R179-I219 HydrophobicContact CG-CD1 3.91Å; I182-I219 HydrophobicContact CD1-CG2 3.89Å
220	C	98.5	Very high	96.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.1	178.2	-66.6	0	0	0	0	109.3	L165 K166 H212 F213 H218	L165-C220 HydrophobicContact CD1-CB 4.04Å; K166-C220 WeakPolarHBondContact O-CA 3.46Å; H212-C220 CarbonylContact C-O 3.12Å; H212-C220 WeakPolarHBondContact CA-O 3.48Å; F213-C220 HydrophobicContact CD1-CB 4.4Å; F213-C220 HydrophobicContact CD2-CB 3.72Å; F213-C220 HydrophobicContact CE1-CB 4.07Å; F213-C220 HydrophobicContact CE2-CB 3.32Å; F213-C220 HydrophobicContact CG-CB 4.23Å; F213-C220 HydrophobicContact CZ-CB 3.52Å; F213-C220 PolarHBondContact N-O 2.95Å; F213-C220 PolarHBondContact O-N 3.46Å; H218-C220 PolarHBondContact O-N 3.11Å
221	M	98.6	Very high	96.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	131.9	175.3	-71.9	171.2	-86.6	0	0	109.6	L165 K166 I168 A178 E181 I182 L209 H212 F223	L165-M221 CarbonylContact C-O 3.57Å; L165-M221 WeakPolarHBondContact CA-O 3.28Å; K166-M221 HydrophobicContact CB-CB 4.39Å; K166-M221 HydrophobicContact CD-CE 3.93Å; K166-M221 HydrophobicContact CG-CE 4.37Å; K166-M221 PolarHBondContact N-O 2.72Å; K166-M221 PolarHBondContact O-N 2.68Å; I168-M221 HydrophobicContact CD1-CE 3.7Å; I168-M221 HydrophobicContact CG1-CE 3.64Å; A178-M221 HydrophobicContact CB-CE 3.96Å; E181-M221 HydrophobicContact CG-SD 4.31Å; I182-M221 HydrophobicContact CD1-CG 4Å; I182-M221 HydrophobicContact CD1-SD 4.11Å; I182-M221 HydrophobicContact CG1-CG 3.79Å; I182-M221 HydrophobicContact CG1-SD 3.53Å; I182-M221 VanDerWaalsContact CG1-SD 3.53Å; L209-M221 HydrophobicContact CD1-CB 3.81Å; L209-M221 HydrophobicContact CD1-CG 4.04Å; H212-M221 HydrophobicContact CB-CG 3.98Å; M221-F223 HydrophobicContact CB-CD2 4.35Å; M221-F223 HydrophobicContact CB-CE2 3.5Å; M221-F223 VanDerWaalsContact CB-CE2 3.5Å; M221-F223 HydrophobicContact CB-CZ 3.85Å; M221-F223 HydrophobicContact SD-CZ 4.08Å
222	T	98.3	Very high	96.6	Very high	1 Å²	1	33 Å²	33	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	139.6	175.1	53.7	0	0	0	0	111.4	Y137 V163 A164 L165 Y210 E211 F213	Y137-T222 HydrophobicContact CD1-CG2 4.24Å; Y137-T222 HydrophobicContact CE1-CG2 3.65Å; Y137-T222 HydrophobicContact CE2-CG2 4.32Å; V163-T222 HydrophobicContact CG2-CG2 4.39Å; A164-T222 CarbonylContact O-C 3.55Å; A164-T222 WeakPolarHBondContact O-CA 3.29Å; L165-T222 HydrophobicContact CB-CG2 4.46Å; L165-T222 HydrophobicContact CD1-CG2 3.73Å; Y210-T222 PolarHBondContact N-O 2.88Å; E211-T222 PolarHBondContact N-OG1 2.98Å; E211-T222 PolarHBondContact O-N 2.67Å; E211-T222 PolarHBondContact O-OG1 3.49Å; F213-T222 HydrophobicContact CE1-CG2 4.2Å
223	F	98	Very high	96.5	Very high	17 Å²	17	29.5 Å²	29.5	8%	0.075	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	162.2	-175.8	-59.9	-89.5	0	0	0	110.8	V163 A164 K166 L185 I207 N208 L209 M221 L225	V163-F223 WeakPolarHBondContact CB-O 3.48Å; A164-F223 HydrophobicContact CB-CB 4.34Å; A164-F223 PolarHBondContact N-O 2.73Å; A164-F223 PolarHBondContact O-N 2.97Å; K166-F223 HydrophobicContact CB-CD2 4.39Å; K166-F223 HydrophobicContact CB-CE2 3.78Å; K166-F223 HydrophobicContact CD-CE2 4.14Å; L185-F223 HydrophobicContact CD1-CE1 3.76Å; L185-F223 HydrophobicContact CD1-CZ 4.17Å; I207-F223 HydrophobicContact CD1-CB 4.31Å; I207-F223 HydrophobicContact CG1-CB 4.1Å; I207-F223 HydrophobicContact CG1-CD1 3.52Å; I207-F223 HydrophobicContact CG1-CE1 4.26Å; I207-F223 HydrophobicContact CG1-CG 4.14Å; I207-F223 HydrophobicContact CG2-CD1 4.28Å; I207-F223 HydrophobicContact CG2-CE1 4.23Å; N208-F223 VanDerWaalsContact O-CA 3.3Å; N208-F223 WeakPolarHBondContact O-CA 3.37Å; L209-F223 HydrophobicContact CB-CD1 4.25Å; L209-F223 HydrophobicContact CB-CE1 4.11Å; L209-F223 HydrophobicContact CD1-CD1 4.21Å; L209-F223 HydrophobicContact CD1-CE1 3.79Å; L209-F223 HydrophobicContact CD1-CE2 4.45Å; L209-F223 HydrophobicContact CD1-CZ 3.92Å; M221-F223 HydrophobicContact CB-CD2 4.35Å; M221-F223 HydrophobicContact CB-CE2 3.5Å; M221-F223 VanDerWaalsContact CB-CE2 3.5Å; M221-F223 HydrophobicContact CB-CZ 3.85Å; M221-F223 HydrophobicContact SD-CZ 4.08Å; F223-L225 PolarHBondContact O-N 2.99Å
224	E	95.1	Very high	96.4	Very high	26 Å²	26	27.6 Å²	27.6	12%	0.121	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	134	164.4	73.2	-163.1	140.1	0	0	110.6	I207 N208 Y210 L226 K345	I207-E224 HydrophobicContact CD1-CG 3.75Å; N208-E224 HydrophobicContact CB-CB 4.43Å; N208-E224 HydrophobicContact CB-CG 4.29Å; N208-E224 WeakPolarHBondContact CB-OE1 3.22Å; N208-E224 PolarHBondContact N-OE1 3.22Å; N208-E224 VanDerWaalsContact ND2-CD 3.29Å; N208-E224 PolarHBondContact ND2-OE1 3.08Å; N208-E224 PolarHBondContact ND2-OE2 2.94Å; N208-E224 PolarHBondContact O-N 3.24Å; Y210-E224 HydrophobicContact CE1-CB 4.45Å; Y210-E224 HydrophobicContact CE2-CB 4.25Å; Y210-E224 WeakPolarHBondContact OH-CB 3.37Å; E224-L226 HydrophobicContact CG-CD2 3.85Å; E224-L226 HydrophobicContact CG-CG 4.07Å; E224-L226 PolarHBondContact O-N 3.43Å; E224-K345 WeakPolarHBondContact OE1-CD 3.44Å; E224-K345 WeakPolarHBondContact OE1-CE 3.38Å; E224-K345 IonicContact OE1-NZ 2.74Å; E224-K345 PolarHBondContact OE1-NZ 3.49Å; E224-K345 IonicContact OE2-NZ 3.53Å; E224-K345 PolarHBondContact OE2-NZ 2.97Å
225	L	96.4	Very high	96.2	Very high	41 Å²	41	28.3 Å²	28.3	22%	0.215	13%	0.13	C	C	.	.			trans	-77.3	110.2	178	-178.7	60.5	0	0	0	109.4	L143 K162 A164 F223 W280	L143-L225 HydrophobicContact CD1-CD1 3.69Å; K162-L225 HydrophobicContact CB-CD2 3.76Å; A164-L225 HydrophobicContact CB-CD1 4.1Å; F223-L225 PolarHBondContact O-N 2.99Å; L225-W280 PolarHBondContact O-NE1 3.11Å
226	L	95.2	Very high	96.1	Very high	17 Å²	17	30.8 Å²	30.8	9%	0.089	14%	0.143	C	C	.	.			trans	-93.4	176.5	175.9	-62.8	-175.5	0	0	0	112.4	I207 E224 L277 V279 W280 K345 I347	I207-L226 HydrophobicContact CD1-CD1 3.48Å; I207-L226 VanDerWaalsContact CD1-CD1 3.48Å; I207-L226 HydrophobicContact CD1-CG 3.91Å; E224-L226 HydrophobicContact CG-CD2 3.85Å; E224-L226 HydrophobicContact CG-CG 4.07Å; E224-L226 PolarHBondContact O-N 3.43Å; L226-L277 HydrophobicContact CB-CB 3.91Å; L226-L277 HydrophobicContact CB-CD2 3.86Å; L226-L277 HydrophobicContact CD1-CB 3.76Å; L226-L277 HydrophobicContact CD1-CD2 4.42Å; L226-V279 HydrophobicContact CD2-CG2 4.25Å; L226-W280 PolarHBondContact O-NE1 2.8Å; L226-K345 HydrophobicContact CD1-CB 3.81Å; L226-K345 HydrophobicContact CD1-CD 4.27Å; L226-K345 HydrophobicContact CD1-CG 4.49Å; L226-K345 HydrophobicContact CD2-CD 4.3Å; L226-I347 HydrophobicContact CD1-CG2 4.22Å
227	N	94	Very high	95.9	Very high	18 Å²	18	31.3 Å²	31.3	10%	0.096	15%	0.148	C	C	.	.			trans	-95.4	-167.8	178.2	-163.1	-7.9	0	0	0	109.9	L277 L278 W280	N227-L277 WeakPolarHBondContact O-CD2 3.34Å; N227-L277 WeakPolarHBondContact O-CG 3.36Å; N227-L278 WeakPolarHBondContact CA-O 3.31Å; N227-L278 HydrophobicContact CB-CB 4.13Å; N227-L278 VanDerWaalsContact CB-O 3.28Å; N227-L278 WeakPolarHBondContact CB-O 3.5Å; N227-L278 PolarHBondContact N-O 2.74Å; N227-W280 HydrophobicContact CB-CD2 3.83Å; N227-W280 HydrophobicContact CB-CE3 4.26Å; N227-W280 HydrophobicContact CB-CG 4.2Å; N227-W280 HydrophobicContact CB-CH2 4.36Å; N227-W280 HydrophobicContact CB-CZ2 3.96Å; N227-W280 WeakPolarHBondContact OD1-CH2 3.38Å
228	I	94.3	Very high	95.9	Very high	30 Å²	30	31.6 Å²	31.6	15%	0.154	15%	0.149	C	C	.	.			trans	-54.3	150.7	-177.7	63.8	174.6	0	0	0	113.9	D232 L233 L236 L278	I228-D232 HydrophobicContact CB-CB 4.48Å; I228-L233 HydrophobicContact CD1-CB 4.15Å; I228-L233 HydrophobicContact CD1-CD1 4.18Å; I228-L236 HydrophobicContact CD1-CD1 3.56Å; I228-L278 HydrophobicContact CD1-CD1 4.44Å; I228-L278 HydrophobicContact CG1-CD1 3.96Å; I228-L278 PolarHBondContact O-N 3.29Å
229	N	96.3	Very high	95.7	Very high	29 Å²	29	34.4 Å²	34.4	16%	0.155	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-75.8	165.1	171.1	66.4	72.4	0	0	0	112	Y231 D232 L233 E274 I276 L277	N229-Y231 VanDerWaalsContact C-N 3.33Å; N229-Y231 PolarHBondContact O-N 3.29Å; N229-Y231 WeakPolarHBondContact OD1-CA 3.42Å; N229-Y231 VanDerWaalsContact OD1-CB 3.31Å; N229-Y231 WeakPolarHBondContact OD1-CB 3.32Å; N229-Y231 PolarHBondContact OD1-N 2.69Å; N229-D232 PolarHBondContact ND2-OD2 3.1Å; N229-D232 PolarHBondContact O-N 3.32Å; N229-D232 PolarHBondContact OD1-N 3Å; N229-L233 PolarHBondContact O-N 2.95Å; N229-E274 WeakPolarHBondContact CB-O 3.09Å; N229-I276 CarbonylContact C-O 3.52Å; N229-I276 VanDerWaalsContact CA-O 3.26Å; N229-I276 WeakPolarHBondContact CA-O 3.29Å; N229-L277 HydrophobicContact CB-CD1 3.66Å; N229-L277 HydrophobicContact CB-CG 4.1Å
230	L	97.1	Very high	95.3	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-69.8	-24.9	-178	-62.7	-178.2	0	0	0	113.8	L233 L234 I250 P273 I276 V344 L395	L230-L233 HydrophobicContact CD2-CD2 3.9Å; L230-L233 WeakPolarHBondContact O-CB 3.16Å; L230-L233 PolarHBondContact O-N 2.86Å; L230-L234 WeakPolarHBondContact O-CG 3.35Å; L230-L234 PolarHBondContact O-N 3.35Å; L230-I250 HydrophobicContact CD1-CG2 3.62Å; L230-I250 HydrophobicContact CD2-CD1 4.11Å; L230-I250 HydrophobicContact CD2-CG2 4.48Å; L230-P273 HydrophobicContact CB-CB 3.95Å; L230-P273 WeakPolarHBondContact CB-O 3.37Å; L230-P273 PolarHBondContact N-O 2.68Å; L230-I276 HydrophobicContact CD1-CB 3.82Å; L230-I276 HydrophobicContact CD1-CD1 4.18Å; L230-I276 HydrophobicContact CD1-CG2 3.58Å; L230-I276 HydrophobicContact CG-CB 4.1Å; L230-I276 HydrophobicContact CG-CG2 3.99Å; L230-I276 PolarHBondContact N-O 3.26Å; L230-V344 HydrophobicContact CD2-CG1 4.3Å; L230-L395 HydrophobicContact CB-CD2 4.11Å; L230-L395 HydrophobicContact CD1-CD1 4.17Å; L230-L395 HydrophobicContact CD1-CD2 4.05Å
231	Y	97.3	Very high	95	Very high	86 Å²	86	36 Å²	36	34%	0.337	17%	0.172	S	C	.	.	H	α-helix	trans	-67.1	-46.9	173.1	178.3	-100.4	0	0	0	111.4	N229 L233 L234 K235 F239 P273 E274	N229-Y231 VanDerWaalsContact C-N 3.33Å; N229-Y231 PolarHBondContact O-N 3.29Å; N229-Y231 WeakPolarHBondContact OD1-CA 3.42Å; N229-Y231 VanDerWaalsContact OD1-CB 3.31Å; N229-Y231 WeakPolarHBondContact OD1-CB 3.32Å; N229-Y231 PolarHBondContact OD1-N 2.69Å; Y231-L233 VanDerWaalsContact C-N 3.28Å; Y231-L233 PolarHBondContact O-N 2.95Å; Y231-L234 PolarHBondContact O-N 3.08Å; Y231-K235 HydrophobicContact CE1-CD 4.13Å; Y231-K235 VanDerWaalsContact O-CB 3.31Å; Y231-K235 WeakPolarHBondContact O-CB 3.39Å; Y231-K235 PolarHBondContact O-N 3.08Å; Y231-F239 HydrophobicContact CE2-CE1 4.05Å; Y231-F239 HydrophobicContact CE2-CZ 4.37Å; Y231-P273 PolarHBondContact N-O 2.7Å; Y231-E274 HydrophobicContact CG-CG 4.24Å
232	D	96.1	Very high	94.7	Very high	47 Å²	47	36.4 Å²	36.4	25%	0.251	17%	0.174	S	C	.	.	H	α-helix	trans	-66.4	-30.3	175.1	-79.3	-57.5	0	0	0	111.9	I228 N229 K235 L236	I228-D232 HydrophobicContact CB-CB 4.48Å; N229-D232 PolarHBondContact ND2-OD2 3.1Å; N229-D232 PolarHBondContact O-N 3.32Å; N229-D232 PolarHBondContact OD1-N 3Å; D232-K235 PolarHBondContact O-N 2.84Å; D232-K235 WeakPolarHBondContact OD1-CD 3.45Å; D232-K235 WeakPolarHBondContact OD1-CE 3.36Å; D232-K235 IonicContact OD1-NZ 3.54Å; D232-K235 PolarHBondContact OD1-NZ 2.91Å; D232-L236 WeakPolarHBondContact O-CB 3.24Å; D232-L236 VanDerWaalsContact O-CG 3.25Å; D232-L236 WeakPolarHBondContact O-CG 3.31Å; D232-L236 PolarHBondContact O-N 3.23Å
233	L	95.5	Very high	94.4	Very high	12 Å²	12	39.3 Å²	39.3	6%	0.063	19%	0.193	C	C	.	.	H	α-helix	trans	-62.7	-46.8	168.9	-177.7	67.6	0	0	0	112.3	I228 N229 L230 Y231 K235 L236 N237 L242 L278	I228-L233 HydrophobicContact CD1-CB 4.15Å; I228-L233 HydrophobicContact CD1-CD1 4.18Å; N229-L233 PolarHBondContact O-N 2.95Å; L230-L233 HydrophobicContact CD2-CD2 3.9Å; L230-L233 WeakPolarHBondContact O-CB 3.16Å; L230-L233 PolarHBondContact O-N 2.86Å; Y231-L233 VanDerWaalsContact C-N 3.28Å; Y231-L233 PolarHBondContact O-N 2.95Å; L233-K235 VanDerWaalsContact C-N 3.33Å; L233-K235 PolarHBondContact O-N 2.98Å; L233-L236 PolarHBondContact O-N 3.25Å; L233-N237 PolarHBondContact O-N 3.01Å; L233-L242 HydrophobicContact CD2-CD1 3.95Å; L233-L242 HydrophobicContact CD2-CD2 4.22Å; L233-L242 HydrophobicContact CG-CD2 4.24Å; L233-L278 HydrophobicContact CD1-CD1 4.39Å; L233-L278 HydrophobicContact CD2-CD1 4.3Å
234	L	94.4	Very high	93.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-41	176	-75.2	178.9	0	0	0	112	L230 Y231 N237 K238 F239 L242 E394 L395	L230-L234 WeakPolarHBondContact O-CG 3.35Å; L230-L234 PolarHBondContact O-N 3.35Å; Y231-L234 PolarHBondContact O-N 3.08Å; L234-N237 CarbonylContact O-C 3.5Å; L234-N237 VanDerWaalsContact O-C 3.22Å; L234-N237 WeakPolarHBondContact O-CA 3.45Å; L234-N237 PolarHBondContact O-N 3.22Å; L234-K238 PolarHBondContact O-N 3.05Å; L234-K238 VanDerWaalsContact O-N 3.16Å; L234-F239 HydrophobicContact CB-CD1 4.15Å; L234-F239 HydrophobicContact CB-CE1 4.32Å; L234-F239 PolarHBondContact O-N 2.75Å; L234-L242 HydrophobicContact CD2-CD1 4.28Å; L234-L242 HydrophobicContact CD2-CD2 4.27Å; L234-L242 HydrophobicContact CD2-CG 3.83Å; L234-E394 HydrophobicContact CD1-CG 3.81Å; L234-L395 HydrophobicContact CD1-CD2 4.26Å; L234-L395 HydrophobicContact CG-CD2 4.4Å
235	K	94.6	Very high	93.6	Very high	107 Å²	107	41.1 Å²	41.1	47%	0.465	20%	0.202	S	C	.	.	H	α-helix	trans	-64.8	-42	176.2	178.7	174.4	149	-154.7	0	112.3	Y231 D232 L233 N237 K238 F239	Y231-K235 HydrophobicContact CE1-CD 4.13Å; Y231-K235 VanDerWaalsContact O-CB 3.31Å; Y231-K235 WeakPolarHBondContact O-CB 3.39Å; Y231-K235 PolarHBondContact O-N 3.08Å; D232-K235 PolarHBondContact O-N 2.84Å; D232-K235 WeakPolarHBondContact OD1-CD 3.45Å; D232-K235 WeakPolarHBondContact OD1-CE 3.36Å; D232-K235 IonicContact OD1-NZ 3.54Å; D232-K235 PolarHBondContact OD1-NZ 2.91Å; L233-K235 VanDerWaalsContact C-N 3.33Å; L233-K235 PolarHBondContact O-N 2.98Å; K235-N237 VanDerWaalsContact C-N 3.31Å; K235-N237 PolarHBondContact O-N 2.95Å; K235-K238 WeakPolarHBondContact O-CA 3.39Å; K235-K238 PolarHBondContact O-N 3.01Å; K235-F239 HydrophobicContact CB-CE1 3.95Å; K235-F239 HydrophobicContact CB-CE2 4.11Å; K235-F239 HydrophobicContact CB-CZ 3.53Å; K235-F239 HydrophobicContact CD-CZ 4.4Å; K235-F239 HydrophobicContact CG-CE2 4.14Å; K235-F239 HydrophobicContact CG-CZ 3.86Å
236	L	93.5	Very high	93.4	Very high	53 Å²	53	41.2 Å²	41.2	28%	0.277	20%	0.199	S	C	.	.	H	α-helix	trans	-62.1	-38.4	170.9	-76.8	171.5	0	0	0	111.7	I228 D232 L233 K238 M327	I228-L236 HydrophobicContact CD1-CD1 3.56Å; D232-L236 WeakPolarHBondContact O-CB 3.24Å; D232-L236 VanDerWaalsContact O-CG 3.25Å; D232-L236 WeakPolarHBondContact O-CG 3.31Å; D232-L236 PolarHBondContact O-N 3.23Å; L233-L236 PolarHBondContact O-N 3.25Å; L236-K238 PolarHBondContact O-N 3.33Å; L236-M327 HydrophobicContact CD2-CE 4.01Å
237	N	91.3	Very high	93.4	Very high	39 Å²	39	40.4 Å²	40.4	21%	0.209	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	21.7	171.6	-152.3	33.4	0	0	0	113.7	L233 L234 K235 F239 T240 G241	L233-N237 PolarHBondContact O-N 3.01Å; L234-N237 CarbonylContact O-C 3.5Å; L234-N237 VanDerWaalsContact O-C 3.22Å; L234-N237 WeakPolarHBondContact O-CA 3.45Å; L234-N237 PolarHBondContact O-N 3.22Å; K235-N237 VanDerWaalsContact C-N 3.31Å; K235-N237 PolarHBondContact O-N 2.95Å; N237-F239 PolarHBondContact O-N 2.85Å; N237-F239 VanDerWaalsContact O-N 3.12Å; N237-T240 PolarHBondContact ND2-OG1 3.07Å; N237-T240 WeakPolarHBondContact O-CB 3.41Å; N237-T240 WeakPolarHBondContact O-CG2 3.36Å; N237-T240 PolarHBondContact O-N 3.46Å; N237-T240 VanDerWaalsContact O-N 3.17Å; N237-T240 PolarHBondContact O-OG1 3.4Å; N237-G241 PolarHBondContact ND2-O 3Å
238	K	93.2	Very high	93.4	Very high	127 Å²	127	39.8 Å²	39.8	55%	0.552	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	34.5	173.4	-55.8	176.3	-179	167.7	0	114.2	L234 K235 L236 T240 R511 M598	L234-K238 PolarHBondContact O-N 3.05Å; L234-K238 VanDerWaalsContact O-N 3.16Å; K235-K238 WeakPolarHBondContact O-CA 3.39Å; K235-K238 PolarHBondContact O-N 3.01Å; L236-K238 PolarHBondContact O-N 3.33Å; K238-T240 VanDerWaalsContact C-N 3.29Å; K238-T240 PolarHBondContact O-N 2.93Å; K238-R511 PolarHBondContact O-NH2 3.03Å; K238-M598 HydrophobicContact CD-SD 3.72Å; K238-M598 WeakPolarHBondContact CE-SD 3.36Å; K238-M598 HydrophobicContact CG-SD 4.33Å; K238-M598 PolarHBondContact NZ-SD 3.2Å
239	F	92.8	Very high	93.3	Very high	60 Å²	60	41.6 Å²	41.6	26%	0.263	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	48.1	-178.6	-55.7	-70.8	0	0	0	112	Y231 L234 K235 N237 G398 L399 R511	Y231-F239 HydrophobicContact CE2-CE1 4.05Å; Y231-F239 HydrophobicContact CE2-CZ 4.37Å; L234-F239 HydrophobicContact CB-CD1 4.15Å; L234-F239 HydrophobicContact CB-CE1 4.32Å; L234-F239 PolarHBondContact O-N 2.75Å; K235-F239 HydrophobicContact CB-CE1 3.95Å; K235-F239 HydrophobicContact CB-CE2 4.11Å; K235-F239 HydrophobicContact CB-CZ 3.53Å; K235-F239 HydrophobicContact CD-CZ 4.4Å; K235-F239 HydrophobicContact CG-CE2 4.14Å; K235-F239 HydrophobicContact CG-CZ 3.86Å; N237-F239 PolarHBondContact O-N 2.85Å; N237-F239 VanDerWaalsContact O-N 3.12Å; F239-G398 WeakPolarHBondContact CB-O 3.28Å; F239-G398 WeakPolarHBondContact CD1-O 3.13Å; F239-L399 HydrophobicContact CB-CD2 4.2Å; F239-R511 PolarHBondContact O-NH2 2.93Å
240	T	91	Very high	93.3	Very high	45 Å²	45	40.2 Å²	40.2	28%	0.276	19%	0.189	S	C	.	.			trans	-98.6	-1.8	175	55.4	0	0	0	0	113.6	N237 K238 R511	N237-T240 PolarHBondContact ND2-OG1 3.07Å; N237-T240 WeakPolarHBondContact O-CB 3.41Å; N237-T240 WeakPolarHBondContact O-CG2 3.36Å; N237-T240 PolarHBondContact O-N 3.46Å; N237-T240 VanDerWaalsContact O-N 3.17Å; N237-T240 PolarHBondContact O-OG1 3.4Å; K238-T240 VanDerWaalsContact C-N 3.29Å; K238-T240 PolarHBondContact O-N 2.93Å; T240-R511 VanDerWaalsContact CG2-NH2 3.28Å
241	G	92.1	Very high	93.3	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.01	19%	0.189	C	C	.	.			trans	87.9	-170.4	-166.6	0	0	0	0	0	112.2	N237 L395 I396	N237-G241 PolarHBondContact ND2-O 3Å; G241-L395 CarbonylContact C-O 3.4Å; G241-I396 VanDerWaalsContact CA-O 3.31Å; G241-I396 WeakPolarHBondContact CA-O 3.45Å
242	L	92.3	Very high	93.2	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.042	19%	0.19	C	C	.	.			trans	-128.2	153	171.5	-60	175.1	0	0	0	109.5	L233 L234 R244 V247 I250 L395	L233-L242 HydrophobicContact CD2-CD1 3.95Å; L233-L242 HydrophobicContact CD2-CD2 4.22Å; L233-L242 HydrophobicContact CG-CD2 4.24Å; L234-L242 HydrophobicContact CD2-CD1 4.28Å; L234-L242 HydrophobicContact CD2-CD2 4.27Å; L234-L242 HydrophobicContact CD2-CG 3.83Å; L242-R244 PolarHBondContact O-N 3.32Å; L242-V247 HydrophobicContact CB-CG2 3.8Å; L242-I250 HydrophobicContact CD1-CD1 4.35Å; L242-L395 HydrophobicContact CD1-CD2 3.95Å; L242-L395 PolarHBondContact N-O 2.86Å
243	P	90.8	Very high	93.1	Very high	63 Å²	63	39.3 Å²	39.3	41%	0.409	18%	0.183	S	C	.	.			trans	-55.6	137.3	174.8	-24.7	34.5	0	0	0	111.5	D245 R246 V247	P243-D245 VanDerWaalsContact C-N 3.31Å; P243-D245 PolarHBondContact O-N 2.79Å; P243-R246 HydrophobicContact CB-CB 4.43Å; P243-R246 WeakPolarHBondContact O-CA 3.31Å; P243-R246 VanDerWaalsContact O-CB 3.25Å; P243-R246 WeakPolarHBondContact O-CB 3.25Å; P243-R246 PolarHBondContact O-N 3.16Å; P243-V247 PolarHBondContact O-N 2.86Å; P243-V247 VanDerWaalsContact O-N 3.08Å
244	R	89.4	Confident	93.3	Very high	39 Å²	39	39 Å²	39	15%	0.147	18%	0.181	C	C	.	.	H	α-helix	trans	-57.7	-40.1	-169.2	-159.8	96.4	82.3	175.6	11.6	113.8	L242 R246 V247 R248 D546 N547 W576	L242-R244 PolarHBondContact O-N 3.32Å; R244-R246 VanDerWaalsContact C-N 3.3Å; R244-R246 PolarHBondContact O-N 3.34Å; R244-V247 PolarHBondContact O-N 3.45Å; R244-R248 VanDerWaalsContact O-CB 3.29Å; R244-R248 WeakPolarHBondContact O-CB 3.28Å; R244-R248 PolarHBondContact O-N 2.93Å; R244-D546 IonicContact CZ-OD2 3.81Å; R244-D546 IonicContact NE-OD2 3.22Å; R244-D546 PolarHBondContact NE-OD2 2.94Å; R244-D546 IonicContact NH2-OD2 3.98Å; R244-D546 PolarHBondContact NH2-OD2 3.43Å; R244-N547 PolarHBondContact NH2-OD1 2.74Å; R244-W576 HydrophobicContact CG-CZ2 3.86Å
245	D	88.2	Confident	93.4	Very high	42 Å²	42	39 Å²	39	23%	0.225	18%	0.181	C	C	.	.	H	α-helix	trans	-58.4	-38.3	173.8	165.6	50.5	0	0	0	112.7	P243 R248 R249 F580	P243-D245 VanDerWaalsContact C-N 3.31Å; P243-D245 PolarHBondContact O-N 2.79Å; D245-R248 PolarHBondContact O-N 3.42Å; D245-R249 PolarHBondContact O-N 3.41Å; D245-R249 VanDerWaalsContact O-N 3.1Å; D245-R249 IonicContact OD1-NH1 3.61Å; D245-R249 PolarHBondContact OD1-NH1 3.24Å; D245-R249 IonicContact OD2-CZ 3.41Å; D245-R249 IonicContact OD2-NH1 3.27Å; D245-R249 PolarHBondContact OD2-NH1 3.11Å; D245-R249 IonicContact OD2-NH2 2.87Å; D245-F580 HydrophobicContact CB-CD1 4.39Å; D245-F580 HydrophobicContact CB-CE1 4.27Å; D245-F580 HydrophobicContact CB-CZ 4.38Å; D245-F580 WeakPolarHBondContact OD1-CD1 3.47Å; D245-F580 WeakPolarHBondContact OD1-CE1 3.22Å
246	R	92.8	Very high	93.4	Very high	42 Å²	42	36.7 Å²	36.7	16%	0.158	17%	0.171	C	C	.	.	H	α-helix	trans	-66.1	-45.3	172.6	-167.5	175.2	-161.1	-171.7	6.3	111.8	P243 R244 R249 I250 D342	P243-R246 HydrophobicContact CB-CB 4.43Å; P243-R246 WeakPolarHBondContact O-CA 3.31Å; P243-R246 VanDerWaalsContact O-CB 3.25Å; P243-R246 WeakPolarHBondContact O-CB 3.25Å; P243-R246 PolarHBondContact O-N 3.16Å; R244-R246 VanDerWaalsContact C-N 3.3Å; R244-R246 PolarHBondContact O-N 3.34Å; R246-R249 PolarHBondContact O-N 2.78Å; R246-I250 HydrophobicContact CG-CD1 4.07Å; R246-I250 WeakPolarHBondContact O-CG1 3.39Å; R246-I250 PolarHBondContact O-N 3.43Å; R246-I250 VanDerWaalsContact O-N 3.13Å; R246-D342 IonicContact CZ-OD1 3.57Å; R246-D342 IonicContact NE-OD1 2.81Å; R246-D342 PolarHBondContact NE-OD1 2.85Å; R246-D342 IonicContact NE-OD2 3.84Å; R246-D342 IonicContact NH2-OD1 3.55Å; R246-D342 PolarHBondContact NH2-OD1 3.1Å
247	V	94.8	Very high	93.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.6	-48	175.8	-174.9	0	0	0	0	110.4	L242 P243 R244 R249 I250 C251 L395 I396 W576	L242-V247 HydrophobicContact CB-CG2 3.8Å; P243-V247 PolarHBondContact O-N 2.86Å; P243-V247 VanDerWaalsContact O-N 3.08Å; R244-V247 PolarHBondContact O-N 3.45Å; V247-R249 PolarHBondContact O-N 2.66Å; V247-I250 PolarHBondContact O-N 2.88Å; V247-I250 VanDerWaalsContact O-N 3.15Å; V247-C251 VanDerWaalsContact O-CB 3.31Å; V247-C251 WeakPolarHBondContact O-CB 3.35Å; V247-C251 PolarHBondContact O-N 3.46Å; V247-C251 PolarHBondContact O-SG 3.37Å; V247-L395 HydrophobicContact CB-CB 4.49Å; V247-L395 HydrophobicContact CG1-CB 3.74Å; V247-L395 HydrophobicContact CG1-CD1 4.27Å; V247-L395 HydrophobicContact CG2-CB 4Å; V247-I396 HydrophobicContact CG1-CG1 4.15Å; V247-I396 HydrophobicContact CG2-CG1 4.26Å; V247-W576 HydrophobicContact CG1-CH2 4.24Å
248	R	94.2	Very high	93.9	Very high	5 Å²	5	32.6 Å²	32.6	2%	0.019	15%	0.15	C	C	.	.	H	α-helix	trans	-52.9	-48.4	177.7	175	-178.8	-81.4	111	-1.5	112.2	R244 D245 Y252 D546 W576 F577	R244-R248 VanDerWaalsContact O-CB 3.29Å; R244-R248 WeakPolarHBondContact O-CB 3.28Å; R244-R248 PolarHBondContact O-N 2.93Å; D245-R248 PolarHBondContact O-N 3.42Å; R248-Y252 WeakPolarHBondContact O-CB 3.49Å; R248-Y252 PolarHBondContact O-N 3.45Å; R248-D546 IonicContact CZ-OD1 2.72Å; R248-D546 IonicContact NH1-OD1 2.76Å; R248-D546 PolarHBondContact NH1-OD1 3.07Å; R248-D546 IonicContact NH2-OD1 3.71Å; R248-D546 PolarHBondContact NH2-OD1 3.21Å; R248-W576 HydrophobicContact CB-CH2 4.09Å; R248-W576 HydrophobicContact CB-CZ2 4.38Å; R248-W576 HydrophobicContact CB-CZ3 4.35Å; R248-W576 PolarHBondContact NE-O 2.78Å; R248-W576 VanDerWaalsContact NH2-CD1 3.31Å; R248-W576 VanDerWaalsContact NH2-NE1 3.13Å; R248-W576 PolarHBondContact NH2-O 3.42Å; R248-F577 WeakPolarHBondContact CD-O 3.35Å; R248-F577 HydrophobicContact CG-CD1 3.92Å; R248-F577 WeakPolarHBondContact O-CE1 3.42Å
249	R	91.9	Very high	94	Very high	69 Å²	69	28.4 Å²	28.4	26%	0.26	13%	0.132	S	C	.	.	H	α-helix	trans	-62.7	-42.8	175.4	-74.3	-166.7	-62.7	-88.4	7	113.8	D245 R246 V247 Q253 D342	D245-R249 PolarHBondContact O-N 3.41Å; D245-R249 VanDerWaalsContact O-N 3.1Å; D245-R249 IonicContact OD1-NH1 3.61Å; D245-R249 PolarHBondContact OD1-NH1 3.24Å; D245-R249 IonicContact OD2-CZ 3.41Å; D245-R249 IonicContact OD2-NH1 3.27Å; D245-R249 PolarHBondContact OD2-NH1 3.11Å; D245-R249 IonicContact OD2-NH2 2.87Å; R246-R249 PolarHBondContact O-N 2.78Å; V247-R249 PolarHBondContact O-N 2.66Å; R249-Q253 PolarHBondContact O-N 3.19Å; R249-Q253 PolarHBondContact O-NE2 3.19Å; R249-D342 IonicContact CZ-OD2 2.68Å; R249-D342 IonicContact NE-OD2 3.75Å; R249-D342 PolarHBondContact NE-OD2 3.48Å; R249-D342 VanDerWaalsContact NE-OD2 3.17Å; R249-D342 IonicContact NH2-OD2 3.6Å; R249-D342 PolarHBondContact NH2-OD2 3.45Å
250	I	95.6	Very high	94.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.7	-50.1	179.4	-71.6	168.4	0	0	0	109.7	L230 L242 R246 V247 Y252 Q253 V254 D342 V344 L395	L230-I250 HydrophobicContact CD1-CG2 3.62Å; L230-I250 HydrophobicContact CD2-CD1 4.11Å; L230-I250 HydrophobicContact CD2-CG2 4.48Å; L242-I250 HydrophobicContact CD1-CD1 4.35Å; R246-I250 HydrophobicContact CG-CD1 4.07Å; R246-I250 WeakPolarHBondContact O-CG1 3.39Å; R246-I250 PolarHBondContact O-N 3.43Å; R246-I250 VanDerWaalsContact O-N 3.13Å; V247-I250 PolarHBondContact O-N 2.88Å; V247-I250 VanDerWaalsContact O-N 3.15Å; I250-Y252 VanDerWaalsContact C-N 3.34Å; I250-Y252 PolarHBondContact O-N 3.47Å; I250-Q253 WeakPolarHBondContact O-CB 3.33Å; I250-Q253 PolarHBondContact O-N 3.08Å; I250-Q253 VanDerWaalsContact O-N 3.14Å; I250-V254 HydrophobicContact CG2-CG2 4.44Å; I250-V254 WeakPolarHBondContact O-CG2 3.26Å; I250-V254 PolarHBondContact O-N 3.11Å; I250-D342 HydrophobicContact CD1-CB 4.46Å; I250-D342 HydrophobicContact CG1-CB 4.1Å; I250-V344 HydrophobicContact CG1-CG1 4.21Å; I250-V344 HydrophobicContact CG2-CG1 4.27Å; I250-V344 HydrophobicContact CG2-CG2 4.35Å; I250-L395 HydrophobicContact CG2-CD1 4.05Å
251	C	97	Very high	94.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65.2	-33.2	-177.8	-68.5	0	0	0	0	113.1	V247 Q253 V254 L255 F388 V392 W576 F577	V247-C251 VanDerWaalsContact O-CB 3.31Å; V247-C251 WeakPolarHBondContact O-CB 3.35Å; V247-C251 PolarHBondContact O-N 3.46Å; V247-C251 PolarHBondContact O-SG 3.37Å; C251-Q253 VanDerWaalsContact C-N 3.33Å; C251-Q253 PolarHBondContact O-N 2.93Å; C251-V254 PolarHBondContact O-N 2.9Å; C251-L255 WeakPolarHBondContact O-CG 3.38Å; C251-L255 PolarHBondContact O-N 2.96Å; C251-F388 HydrophobicContact CB-CE2 3.76Å; C251-F388 HydrophobicContact CB-CZ 3.86Å; C251-V392 HydrophobicContact CB-CG2 4.24Å; C251-W576 HydrophobicContact CB-CZ3 4.45Å; C251-F577 HydrophobicContact CB-CE1 4.13Å; C251-F577 HydrophobicContact CB-CZ 4.3Å
252	Y	95.3	Very high	94.5	Very high	91 Å²	91	26.7 Å²	26.7	36%	0.357	12%	0.121	S	C	.	.	H	α-helix	trans	-60.1	-43.1	172.4	-176.3	-87	0	0	0	111.9	R248 I250 L255 K256 I572 F577	R248-Y252 WeakPolarHBondContact O-CB 3.49Å; R248-Y252 PolarHBondContact O-N 3.45Å; I250-Y252 VanDerWaalsContact C-N 3.34Å; I250-Y252 PolarHBondContact O-N 3.47Å; Y252-L255 PolarHBondContact O-N 2.72Å; Y252-K256 HydrophobicContact CD1-CG 4.31Å; Y252-K256 HydrophobicContact CE1-CG 3.97Å; Y252-K256 PolarHBondContact O-N 3.47Å; Y252-K256 WeakPolarHBondContact OH-CE 3.26Å; Y252-I572 HydrophobicContact CD2-CG2 4.48Å; Y252-I572 HydrophobicContact CE2-CG2 3.71Å; Y252-F577 HydrophobicContact CD2-CD1 4.09Å; Y252-F577 HydrophobicContact CD2-CG 4.31Å
253	Q	95.2	Very high	94.6	Very high	22 Å²	22	33.1 Å²	33.1	10%	0.103	15%	0.149	C	C	.	.	H	α-helix	trans	-69.6	-40.6	176.6	-68.4	167.8	80.9	0	0	112.1	P205 R249 I250 C251 L255 K256 A257 D342 Y343 V344	P205-Q253 HydrophobicContact CB-CB 4.18Å; P205-Q253 HydrophobicContact CG-CB 4.17Å; P205-Q253 WeakPolarHBondContact CG-O 3.39Å; R249-Q253 PolarHBondContact O-N 3.19Å; R249-Q253 PolarHBondContact O-NE2 3.19Å; I250-Q253 WeakPolarHBondContact O-CB 3.33Å; I250-Q253 PolarHBondContact O-N 3.08Å; I250-Q253 VanDerWaalsContact O-N 3.14Å; C251-Q253 VanDerWaalsContact C-N 3.33Å; C251-Q253 PolarHBondContact O-N 2.93Å; Q253-L255 VanDerWaalsContact C-N 3.28Å; Q253-L255 PolarHBondContact O-N 3.27Å; Q253-K256 WeakPolarHBondContact O-CB 3.28Å; Q253-K256 PolarHBondContact O-N 2.83Å; Q253-K256 VanDerWaalsContact O-N 3.09Å; Q253-A257 PolarHBondContact O-N 3.42Å; Q253-D342 PolarHBondContact NE2-O 3.13Å; Q253-Y343 VanDerWaalsContact OE1-CA 3.25Å; Q253-V344 HydrophobicContact CB-CG2 3.62Å; Q253-V344 HydrophobicContact CG-CG2 4.38Å
254	V	97.7	Very high	94.8	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.03	14%	0.138	C	C	.	.	H	α-helix	trans	-59.4	-41.8	174	177.6	0	0	0	0	110.6	I250 C251 K256 A257 L258 L271 I276 F388 L391	I250-V254 HydrophobicContact CG2-CG2 4.44Å; I250-V254 WeakPolarHBondContact O-CG2 3.26Å; I250-V254 PolarHBondContact O-N 3.11Å; C251-V254 PolarHBondContact O-N 2.9Å; V254-K256 PolarHBondContact O-N 3.19Å; V254-A257 WeakPolarHBondContact O-CB 3.43Å; V254-A257 PolarHBondContact O-N 2.81Å; V254-L258 HydrophobicContact CG1-CD1 4.43Å; V254-L258 WeakPolarHBondContact O-CG 3.31Å; V254-L258 PolarHBondContact O-N 2.86Å; V254-L271 HydrophobicContact CG1-CD1 4.15Å; V254-L271 HydrophobicContact CG1-CD2 4.35Å; V254-I276 HydrophobicContact CG1-CD1 4.35Å; V254-I276 HydrophobicContact CG2-CD1 3.82Å; V254-I276 HydrophobicContact CG2-CG1 4.46Å; V254-I276 HydrophobicContact CG2-CG2 4.26Å; V254-F388 HydrophobicContact CB-CD2 4.32Å; V254-F388 HydrophobicContact CB-CE2 4.27Å; V254-F388 HydrophobicContact CG1-CD2 3.81Å; V254-F388 HydrophobicContact CG1-CE2 4.26Å; V254-L391 HydrophobicContact CG1-CD2 4.08Å; V254-L391 HydrophobicContact CG2-CD2 4.34Å
255	L	97.5	Very high	95.1	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-65.3	-34.8	174.2	-72.1	174.4	0	0	0	113.4	C251 Y252 Q253 L258 Q259 F388 P568 A571 I572 F577	C251-L255 WeakPolarHBondContact O-CG 3.38Å; C251-L255 PolarHBondContact O-N 2.96Å; Y252-L255 PolarHBondContact O-N 2.72Å; Q253-L255 VanDerWaalsContact C-N 3.28Å; Q253-L255 PolarHBondContact O-N 3.27Å; L255-L258 HydrophobicContact CD2-CD1 4.49Å; L255-L258 PolarHBondContact O-N 3.23Å; L255-Q259 VanDerWaalsContact O-CB 3.31Å; L255-Q259 WeakPolarHBondContact O-CB 3.38Å; L255-Q259 PolarHBondContact O-N 3.03Å; L255-F388 HydrophobicContact CD1-CE1 4.03Å; L255-F388 HydrophobicContact CD1-CE2 4.31Å; L255-F388 HydrophobicContact CD1-CZ 3.62Å; L255-F388 HydrophobicContact CD2-CD1 3.89Å; L255-F388 HydrophobicContact CD2-CD2 4.12Å; L255-F388 HydrophobicContact CD2-CE1 3.67Å; L255-F388 HydrophobicContact CD2-CE2 3.91Å; L255-F388 HydrophobicContact CD2-CG 4.11Å; L255-F388 HydrophobicContact CD2-CZ 3.68Å; L255-F388 HydrophobicContact CG-CD2 4.3Å; L255-F388 HydrophobicContact CG-CE1 3.95Å; L255-F388 HydrophobicContact CG-CE2 3.65Å; L255-F388 HydrophobicContact CG-CZ 3.44Å; L255-F388 VanDerWaalsContact CG-CZ 3.44Å; L255-P568 HydrophobicContact CD2-CB 4.45Å; L255-A571 HydrophobicContact CD1-CB 3.73Å; L255-A571 HydrophobicContact CD2-CB 3.78Å; L255-A571 HydrophobicContact CG-CB 4.41Å; L255-I572 HydrophobicContact CB-CD1 4.22Å; L255-I572 HydrophobicContact CB-CG1 3.58Å; L255-I572 HydrophobicContact CD1-CG1 4.28Å; L255-F577 HydrophobicContact CD1-CE2 3.64Å; L255-F577 HydrophobicContact CD1-CZ 3.54Å
256	K	94.8	Very high	95.5	Very high	59 Å²	59	28.4 Å²	28.4	26%	0.257	13%	0.132	S	C	.	.	H	α-helix	trans	-61.7	-41.5	171.2	-78	-86.8	-172.5	156.4	0	111.8	P205 Y252 Q253 V254 F260 I572	P205-K256 HydrophobicContact CG-CB 3.91Å; Y252-K256 HydrophobicContact CD1-CG 4.31Å; Y252-K256 HydrophobicContact CE1-CG 3.97Å; Y252-K256 PolarHBondContact O-N 3.47Å; Y252-K256 WeakPolarHBondContact OH-CE 3.26Å; Q253-K256 WeakPolarHBondContact O-CB 3.28Å; Q253-K256 PolarHBondContact O-N 2.83Å; Q253-K256 VanDerWaalsContact O-N 3.09Å; V254-K256 PolarHBondContact O-N 3.19Å; K256-F260 PolarHBondContact O-N 3.29Å; K256-F260 VanDerWaalsContact O-N 3.1Å; K256-I572 HydrophobicContact CD-CD1 4.33Å; K256-I572 HydrophobicContact CG-CD1 4.29Å
257	A	96.7	Very high	95.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.008	12%	0.124	C	C	.	.	H	α-helix	trans	-62.3	-48.6	172.5	0	0	0	0	0	111.5	P205 I206 Q253 V254 Q259 F260 I261 L346	P205-A257 HydrophobicContact CG-CB 4.11Å; I206-A257 HydrophobicContact CG1-CB 3.99Å; Q253-A257 PolarHBondContact O-N 3.42Å; V254-A257 WeakPolarHBondContact O-CB 3.43Å; V254-A257 PolarHBondContact O-N 2.81Å; A257-Q259 PolarHBondContact O-N 2.93Å; A257-F260 PolarHBondContact O-N 3.01Å; A257-F260 VanDerWaalsContact O-N 3.09Å; A257-I261 PolarHBondContact O-N 3.28Å; A257-L346 HydrophobicContact CB-CB 4.11Å; A257-L346 HydrophobicContact CB-CD2 4Å
258	L	97.7	Very high	95.9	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-61.6	-41.3	179.1	-66.8	-177.4	0	0	0	112.6	V254 L255 F260 I261 Q262 L271 D384 F388 P568	V254-L258 HydrophobicContact CG1-CD1 4.43Å; V254-L258 WeakPolarHBondContact O-CG 3.31Å; V254-L258 PolarHBondContact O-N 2.86Å; L255-L258 HydrophobicContact CD2-CD1 4.49Å; L255-L258 PolarHBondContact O-N 3.23Å; L258-F260 VanDerWaalsContact C-N 3.29Å; L258-F260 PolarHBondContact O-N 2.93Å; L258-I261 HydrophobicContact CD2-CD1 3.87Å; L258-I261 WeakPolarHBondContact O-CG1 3.4Å; L258-Q262 VanDerWaalsContact O-CB 3.24Å; L258-Q262 WeakPolarHBondContact O-CB 3.42Å; L258-Q262 PolarHBondContact O-N 2.94Å; L258-L271 HydrophobicContact CD1-CD2 3.92Å; L258-L271 HydrophobicContact CD2-CD2 4.23Å; L258-D384 HydrophobicContact CD2-CB 3.9Å; L258-F388 HydrophobicContact CD1-CB 4Å; L258-F388 HydrophobicContact CD1-CD2 4.49Å; L258-F388 HydrophobicContact CD1-CG 4.39Å; L258-P568 HydrophobicContact CB-CB 3.98Å; L258-P568 HydrophobicContact CB-CG 3.86Å
259	Q	95.5	Very high	96.1	Very high	40 Å²	40	26.2 Å²	26.2	19%	0.187	12%	0.123	C	C	.	.	H	α-helix	trans	-60.9	-37.8	173.5	178.6	-177.4	70.9	0	0	111.9	L255 A257 K263 P568 N569 I572	L255-Q259 VanDerWaalsContact O-CB 3.31Å; L255-Q259 WeakPolarHBondContact O-CB 3.38Å; L255-Q259 PolarHBondContact O-N 3.03Å; A257-Q259 PolarHBondContact O-N 2.93Å; Q259-K263 VanDerWaalsContact O-CG 3.31Å; Q259-K263 WeakPolarHBondContact O-CG 3.49Å; Q259-K263 PolarHBondContact O-N 2.8Å; Q259-P568 HydrophobicContact CB-CB 4.25Å; Q259-N569 HydrophobicContact CG-CB 4.42Å; Q259-I572 HydrophobicContact CB-CD1 3.99Å; Q259-I572 HydrophobicContact CG-CD1 4.42Å
260	F	94.6	Very high	96.3	Very high	24 Å²	24	23.6 Å²	23.6	11%	0.105	12%	0.115	C	C	.	.	H	α-helix	trans	-73.2	-46.4	-179.2	-171.8	-97.9	0	0	0	112.1	L188 M191 R192 F204 I206 K256 A257 L258 Q262 K263 A264	L188-F260 HydrophobicContact CB-CE1 4.18Å; L188-F260 HydrophobicContact CD2-CD1 3.8Å; L188-F260 HydrophobicContact CD2-CE1 3.7Å; M191-F260 HydrophobicContact CB-CZ 3.87Å; M191-F260 HydrophobicContact CG-CE2 4.03Å; M191-F260 HydrophobicContact CG-CZ 3.73Å; M191-F260 HydrophobicContact SD-CE1 4.43Å; M191-F260 HydrophobicContact SD-CE2 4.15Å; M191-F260 HydrophobicContact SD-CZ 3.98Å; R192-F260 HydrophobicContact CB-CZ 4.06Å; F204-F260 AromaticContact CD1-CD2 3.97Å; F204-F260 HydrophobicContact CD1-CD2 3.97Å; F204-F260 AromaticContact CD1-CE2 3.81Å; F204-F260 HydrophobicContact CD1-CE2 3.81Å; F204-F260 HydrophobicContact CD1-CG 4.44Å; F204-F260 HydrophobicContact CD1-CZ 4.1Å; F204-F260 AromaticContact CE1-CD2 3.95Å; F204-F260 HydrophobicContact CE1-CD2 3.95Å; F204-F260 AromaticContact CE1-CE2 3.52Å; F204-F260 HydrophobicContact CE1-CE2 3.52Å; F204-F260 HydrophobicContact CE1-CZ 4.05Å; I206-F260 HydrophobicContact CD1-CB 4.33Å; I206-F260 HydrophobicContact CD1-CD1 3.54Å; I206-F260 HydrophobicContact CD1-CE1 4.3Å; I206-F260 HydrophobicContact CD1-CG 4.33Å; K256-F260 PolarHBondContact O-N 3.29Å; K256-F260 VanDerWaalsContact O-N 3.1Å; A257-F260 PolarHBondContact O-N 3.01Å; A257-F260 VanDerWaalsContact O-N 3.09Å; L258-F260 VanDerWaalsContact C-N 3.29Å; L258-F260 PolarHBondContact O-N 2.93Å; F260-Q262 VanDerWaalsContact C-N 3.34Å; F260-Q262 PolarHBondContact O-N 3.41Å; F260-K263 PolarHBondContact O-N 2.82Å; F260-A264 PolarHBondContact O-N 3.11Å
261	I	96.3	Very high	96.5	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-67.1	-34.8	177.9	70.7	178.4	0	0	0	112	L188 I206 A257 L258 K263 A264 G265 I266 H268 L346 F349	L188-I261 HydrophobicContact CD1-CG2 4.04Å; L188-I261 HydrophobicContact CD2-CB 4.41Å; L188-I261 HydrophobicContact CD2-CG2 3.91Å; I206-I261 HydrophobicContact CD1-CG2 3.71Å; A257-I261 PolarHBondContact O-N 3.28Å; L258-I261 HydrophobicContact CD2-CD1 3.87Å; L258-I261 WeakPolarHBondContact O-CG1 3.4Å; I261-K263 PolarHBondContact O-N 2.98Å; I261-A264 CarbonylContact O-C 3.22Å; I261-A264 WeakPolarHBondContact O-CA 3.5Å; I261-A264 WeakPolarHBondContact O-CB 3.48Å; I261-A264 PolarHBondContact O-N 3.16Å; I261-A264 VanDerWaalsContact O-N 3.08Å; I261-G265 PolarHBondContact O-N 3.44Å; I261-I266 CarbonylContact C-O 3.56Å; I261-I266 HydrophobicContact CB-CB 4.2Å; I261-I266 HydrophobicContact CB-CG2 4.24Å; I261-I266 PolarHBondContact O-N 3.34Å; I261-H268 HydrophobicContact CD1-CB 3.78Å; I261-L346 HydrophobicContact CD1-CD2 4.38Å; I261-F349 HydrophobicContact CG2-CE1 3.95Å; I261-F349 HydrophobicContact CG2-CZ 4.17Å
262	Q	95.7	Very high	96.5	Very high	43 Å²	43	24.8 Å²	24.8	20%	0.201	12%	0.12	C	C	.	.	H	α-helix	trans	-60.6	-45	172.8	178.9	176.8	36.7	0	0	111.5	L258 F260 A264 G265 E381	L258-Q262 VanDerWaalsContact O-CB 3.24Å; L258-Q262 WeakPolarHBondContact O-CB 3.42Å; L258-Q262 PolarHBondContact O-N 2.94Å; F260-Q262 VanDerWaalsContact C-N 3.34Å; F260-Q262 PolarHBondContact O-N 3.41Å; Q262-A264 PolarHBondContact O-N 2.9Å; Q262-G265 PolarHBondContact O-N 2.96Å; Q262-E381 HydrophobicContact CG-CG 3.99Å; Q262-E381 PolarHBondContact NE2-OE1 2.93Å
263	K	94	Very high	96.7	Very high	143 Å²	143	20.5 Å²	20.5	62%	0.622	10%	0.103	S	C	*	.	H	α-helix	trans	-61.8	-25.5	175.3	-75.2	175.3	173.5	-174.5	0	113	M191 Q259 F260 I261 G265	M191-K263 HydrophobicContact CE-CB 3.81Å; Q259-K263 VanDerWaalsContact O-CG 3.31Å; Q259-K263 WeakPolarHBondContact O-CG 3.49Å; Q259-K263 PolarHBondContact O-N 2.8Å; F260-K263 PolarHBondContact O-N 2.82Å; I261-K263 PolarHBondContact O-N 2.98Å; K263-G265 VanDerWaalsContact C-N 3.34Å
264	A	94.8	Very high	96.8	Very high	21 Å²	21	22.7 Å²	22.7	17%	0.174	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	1.7	174.8	0	0	0	0	0	113.6	L188 M191 F260 I261 Q262 I266	L188-A264 HydrophobicContact CD2-CB 3.78Å; M191-A264 HydrophobicContact SD-CB 3.71Å; F260-A264 PolarHBondContact O-N 3.11Å; I261-A264 CarbonylContact O-C 3.22Å; I261-A264 WeakPolarHBondContact O-CA 3.5Å; I261-A264 WeakPolarHBondContact O-CB 3.48Å; I261-A264 PolarHBondContact O-N 3.16Å; I261-A264 VanDerWaalsContact O-N 3.08Å; Q262-A264 PolarHBondContact O-N 2.9Å; A264-I266 VanDerWaalsContact C-N 3.32Å; A264-I266 HydrophobicContact CB-CD1 3.84Å; A264-I266 HydrophobicContact CB-CG1 4.41Å; A264-I266 PolarHBondContact O-N 2.84Å
265	G	96.1	Very high	96.8	Very high	24 Å²	24	22.9 Å²	22.9	25%	0.247	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	26.8	-176.7	0	0	0	0	0	113.9	I261 Q262 K263 F354 Q355	I261-G265 PolarHBondContact O-N 3.44Å; Q262-G265 PolarHBondContact O-N 2.96Å; K263-G265 VanDerWaalsContact C-N 3.34Å; G265-F354 CarbonylContact O-C 3.52Å; G265-F354 VanDerWaalsContact O-CA 3.32Å; G265-F354 WeakPolarHBondContact O-CA 3.27Å; G265-Q355 PolarHBondContact O-N 3.49Å
266	I	97.5	Very high	96.8	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.2	-176.5	-70.9	156.9	0	0	0	110.6	I184 L188 I261 A264 F354	I184-I266 HydrophobicContact CG1-CD1 4.45Å; I184-I266 HydrophobicContact CG2-CD1 4Å; I184-I266 HydrophobicContact CG2-CG2 4.07Å; L188-I266 HydrophobicContact CD1-CD1 4.27Å; L188-I266 HydrophobicContact CD2-CD1 3.85Å; L188-I266 HydrophobicContact CG-CD1 3.87Å; I261-I266 CarbonylContact C-O 3.56Å; I261-I266 HydrophobicContact CB-CB 4.2Å; I261-I266 HydrophobicContact CB-CG2 4.24Å; I261-I266 PolarHBondContact O-N 3.34Å; A264-I266 VanDerWaalsContact C-N 3.32Å; A264-I266 HydrophobicContact CB-CD1 3.84Å; A264-I266 HydrophobicContact CB-CG1 4.41Å; A264-I266 PolarHBondContact O-N 2.84Å; I266-F354 HydrophobicContact CD1-CD1 4.42Å; I266-F354 HydrophobicContact CD1-CE1 3.81Å; I266-F354 HydrophobicContact CD1-CZ 4.35Å; I266-F354 HydrophobicContact CG1-CD1 3.66Å; I266-F354 HydrophobicContact CG1-CE1 3.55Å; I266-F354 HydrophobicContact CG1-CG 4.5Å; I266-F354 HydrophobicContact CG1-CZ 4.31Å
267	I	97.8	Very high	96.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129.9	171.4	-49.3	172.3	0	0	0	107.6	C269 S352 C353 Q355 Y379 E381 I383 D384	I267-C269 WeakPolarHBondContact CG2-SG 3.4Å; I267-S352 WeakPolarHBondContact O-CA 3.16Å; I267-S352 WeakPolarHBondContact O-CB 3.43Å; I267-C353 PolarHBondContact N-O 2.79Å; I267-C353 PolarHBondContact O-N 3.29Å; I267-C353 VanDerWaalsContact O-N 3.07Å; I267-Q355 HydrophobicContact CD1-CG 4.48Å; I267-Y379 HydrophobicContact CD1-CD2 4.11Å; I267-Y379 HydrophobicContact CD1-CE2 4.15Å; I267-E381 HydrophobicContact CG1-CB 4.3Å; I267-I383 HydrophobicContact CG2-CD1 3.7Å; I267-I383 HydrophobicContact CG2-CG1 3.79Å; I267-D384 WeakPolarHBondContact CG2-OD2 3.43Å
268	H	98	Very high	96.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.			trans	-72.6	-38	-178.1	-170.5	-104.2	0	0	0	112.4	I261 D270 L271 I347 F349 S352 D384	I261-H268 HydrophobicContact CD1-CB 3.78Å; H268-D270 PolarHBondContact CE1-O 3.49Å; H268-D270 VanDerWaalsContact ND1-C 3.34Å; H268-D270 PolarHBondContact O-N 2.8Å; H268-L271 PolarHBondContact ND1-N 3.02Å; H268-I347 PolarHBondContact NE2-O 3.12Å; H268-I347 VanDerWaalsContact NE2-O 3.16Å; H268-F349 AromaticContact CD2-CD1 3.83Å; H268-F349 AromaticContact CD2-CE1 3.71Å; H268-F349 AromaticContact CD2-CZ 3.94Å; H268-S352 WeakPolarHBondContact CA-OG 3.31Å; H268-S352 WeakPolarHBondContact O-CA 3.49Å; H268-S352 PolarHBondContact O-OG 3.29Å; H268-D384 WeakPolarHBondContact CB-OD2 3.41Å; H268-D384 PolarHBondContact N-OD2 3.35Å
269	C	97.8	Very high	96.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	66.1	-6.5	174.8	-63.4	0	0	0	0	117	I267 S351 C353 I363 Q364 D384	I267-C269 WeakPolarHBondContact CG2-SG 3.4Å; C269-S351 WeakPolarHBondContact CB-O 3.3Å; C269-C353 VanDerWaalsContact SG-SG 3.66Å; C269-I363 HydrophobicContact CB-CB 4.45Å; C269-I363 HydrophobicContact CB-CD1 4Å; C269-Q364 WeakPolarHBondContact O-CA 3.31Å; C269-Q364 WeakPolarHBondContact O-CG 3.3Å; C269-Q364 PolarHBondContact O-N 3.48Å; C269-D384 PolarHBondContact N-OD1 3.29Å
270	D	97.5	Very high	96.2	Very high	14 Å²	14	25.4 Å²	25.4	8%	0.075	13%	0.126	C	C	.	.			trans	-151	51.6	173.2	-162	30.2	0	0	0	113.2	H268 K272 N275 S365	H268-D270 PolarHBondContact CE1-O 3.49Å; H268-D270 VanDerWaalsContact ND1-C 3.34Å; H268-D270 PolarHBondContact O-N 2.8Å; D270-K272 PolarHBondContact O-N 3.13Å; D270-K272 IonicContact OD1-NZ 2.77Å; D270-K272 IonicContact OD2-NZ 3.62Å; D270-K272 PolarHBondContact OD2-NZ 2.72Å; D270-N275 PolarHBondContact O-ND2 3.34Å; D270-S365 VanDerWaalsContact OD1-CB 3.23Å; D270-S365 WeakPolarHBondContact OD1-CB 3.49Å; D270-S365 PolarHBondContact OD1-N 3.42Å; D270-S365 PolarHBondContact OD1-OG 2.74Å; D270-S365 PolarHBondContact OD2-OG 3.04Å
271	L	98.5	Very high	95.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.			trans	-72.2	122.9	174.9	-178.6	72.9	0	0	0	111.1	V254 L258 H268 I276 L346 D384 S387 F388	V254-L271 HydrophobicContact CG1-CD1 4.15Å; V254-L271 HydrophobicContact CG1-CD2 4.35Å; L258-L271 HydrophobicContact CD1-CD2 3.92Å; L258-L271 HydrophobicContact CD2-CD2 4.23Å; H268-L271 PolarHBondContact ND1-N 3.02Å; L271-I276 HydrophobicContact CD1-CD1 4.03Å; L271-I276 HydrophobicContact CD1-CG1 4.31Å; L271-L346 HydrophobicContact CD1-CD1 3.44Å; L271-L346 VanDerWaalsContact CD1-CD1 3.44Å; L271-D384 WeakPolarHBondContact CD2-O 3.38Å; L271-S387 WeakPolarHBondContact O-CB 3.36Å; L271-F388 HydrophobicContact CD2-CB 3.92Å
272	K	98.2	Very high	93.8	Very high	26 Å²	26	30.5 Å²	30.5	11%	0.113	15%	0.154	C	C	.	.	S	Bend	trans	-162.5	164.4	-177.7	65.4	-167.6	-170.9	-147.2	0	111.6	D270 E274 N275 S365 Y368	D270-K272 PolarHBondContact O-N 3.13Å; D270-K272 IonicContact OD1-NZ 2.77Å; D270-K272 IonicContact OD2-NZ 3.62Å; D270-K272 PolarHBondContact OD2-NZ 2.72Å; K272-E274 VanDerWaalsContact C-N 3.25Å; K272-E274 WeakPolarHBondContact CB-OE2 3.14Å; K272-E274 HydrophobicContact CD-CB 4.43Å; K272-E274 HydrophobicContact CG-CB 4.19Å; K272-E274 VanDerWaalsContact CG-OE2 3.3Å; K272-E274 WeakPolarHBondContact CG-OE2 3.49Å; K272-E274 PolarHBondContact O-N 3.02Å; K272-N275 VanDerWaalsContact CE-OD1 3.31Å; K272-N275 WeakPolarHBondContact CE-OD1 3.41Å; K272-N275 HydrophobicContact CG-CB 3.95Å; K272-N275 PolarHBondContact O-N 3.44Å; K272-S365 VanDerWaalsContact CD-OG 3.3Å; K272-S365 WeakPolarHBondContact CD-OG 3.45Å; K272-S365 PolarHBondContact NZ-OG 3.47Å; K272-S365 VanDerWaalsContact NZ-OG 3.09Å; K272-Y368 HydrophobicContact CB-CD2 3.63Å; K272-Y368 HydrophobicContact CB-CE2 3.47Å; K272-Y368 VanDerWaalsContact CB-CE2 3.47Å; K272-Y368 HydrophobicContact CB-CG 4.21Å
273	P	98.4	Very high	91.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-58.2	-30.9	179.8	-19.8	29.8	0	0	0	114.4	L230 Y231 N275 Y368 L391	L230-P273 HydrophobicContact CB-CB 3.95Å; L230-P273 WeakPolarHBondContact CB-O 3.37Å; L230-P273 PolarHBondContact N-O 2.68Å; Y231-P273 PolarHBondContact N-O 2.7Å; P273-N275 VanDerWaalsContact C-N 3.29Å; P273-N275 PolarHBondContact O-N 2.89Å; P273-Y368 WeakPolarHBondContact CD-OH 3.36Å; P273-Y368 HydrophobicContact CG-CE1 4.2Å; P273-L391 HydrophobicContact CB-CD1 4.21Å; P273-L391 HydrophobicContact CG-CD1 3.72Å
274	E	97.2	Very high	88.9	Confident	68 Å²	68	33.1 Å²	33.1	32%	0.318	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-67.1	-29.9	175	-55.8	94.8	128.2	0	0	112.7	N229 Y231 K272 I276 L277	N229-E274 WeakPolarHBondContact CB-O 3.09Å; Y231-E274 HydrophobicContact CG-CG 4.24Å; K272-E274 VanDerWaalsContact C-N 3.25Å; K272-E274 WeakPolarHBondContact CB-OE2 3.14Å; K272-E274 HydrophobicContact CD-CB 4.43Å; K272-E274 HydrophobicContact CG-CB 4.19Å; K272-E274 VanDerWaalsContact CG-OE2 3.3Å; K272-E274 WeakPolarHBondContact CG-OE2 3.49Å; K272-E274 PolarHBondContact O-N 3.02Å; E274-I276 VanDerWaalsContact C-N 3.34Å; E274-L277 WeakPolarHBondContact O-CD1 3.5Å
275	N	97.9	Very high	85.9	Confident	10 Å²	10	38 Å²	38	5%	0.053	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-95.5	16.7	-176.6	-70.8	3.3	0	0	0	112.7	D270 K272 P273 I347	D270-N275 PolarHBondContact O-ND2 3.34Å; K272-N275 VanDerWaalsContact CE-OD1 3.31Å; K272-N275 WeakPolarHBondContact CE-OD1 3.41Å; K272-N275 HydrophobicContact CG-CB 3.95Å; K272-N275 PolarHBondContact O-N 3.44Å; P273-N275 VanDerWaalsContact C-N 3.29Å; P273-N275 PolarHBondContact O-N 2.89Å; N275-I347 HydrophobicContact CB-CG1 4.23Å; N275-I347 WeakPolarHBondContact O-CG1 3.4Å; N275-I347 PolarHBondContact O-N 2.91Å
276	I	98.3	Very high	82.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	116.3	173.8	-58.3	159.6	0	0	0	107.8	N229 L230 V254 L271 E274 V344 K345 L346 L391	N229-I276 CarbonylContact C-O 3.52Å; N229-I276 VanDerWaalsContact CA-O 3.26Å; N229-I276 WeakPolarHBondContact CA-O 3.29Å; L230-I276 HydrophobicContact CD1-CB 3.82Å; L230-I276 HydrophobicContact CD1-CD1 4.18Å; L230-I276 HydrophobicContact CD1-CG2 3.58Å; L230-I276 HydrophobicContact CG-CB 4.1Å; L230-I276 HydrophobicContact CG-CG2 3.99Å; L230-I276 PolarHBondContact N-O 3.26Å; V254-I276 HydrophobicContact CG1-CD1 4.35Å; V254-I276 HydrophobicContact CG2-CD1 3.82Å; V254-I276 HydrophobicContact CG2-CG1 4.46Å; V254-I276 HydrophobicContact CG2-CG2 4.26Å; L271-I276 HydrophobicContact CD1-CD1 4.03Å; L271-I276 HydrophobicContact CD1-CG1 4.31Å; E274-I276 VanDerWaalsContact C-N 3.34Å; I276-V344 HydrophobicContact CG2-CB 3.84Å; I276-V344 HydrophobicContact CG2-CG1 4.17Å; I276-V344 HydrophobicContact CG2-CG2 4.31Å; I276-K345 WeakPolarHBondContact CA-O 3.42Å; I276-L346 HydrophobicContact CG1-CD1 4.25Å; I276-L391 HydrophobicContact CD1-CD1 4.08Å; I276-L391 HydrophobicContact CD1-CD2 3.39Å; I276-L391 HydrophobicContact CD1-CG 4.39Å
277	L	97.2	Very high	79.3	Confident	31 Å²	31	53.2 Å²	53.2	16%	0.162	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	144.4	-175.9	-83.7	62.2	0	0	0	111.3	L226 N227 N229 E274 V344 K345 I347	L226-L277 HydrophobicContact CB-CB 3.91Å; L226-L277 HydrophobicContact CB-CD2 3.86Å; L226-L277 HydrophobicContact CD1-CB 3.76Å; L226-L277 HydrophobicContact CD1-CD2 4.42Å; N227-L277 WeakPolarHBondContact O-CD2 3.34Å; N227-L277 WeakPolarHBondContact O-CG 3.36Å; N229-L277 HydrophobicContact CB-CD1 3.66Å; N229-L277 HydrophobicContact CB-CG 4.1Å; E274-L277 WeakPolarHBondContact O-CD1 3.5Å; L277-V344 CarbonylContact O-C 3.47Å; L277-V344 VanDerWaalsContact O-CA 3.25Å; L277-V344 WeakPolarHBondContact O-CA 3.25Å; L277-K345 PolarHBondContact N-O 2.88Å; L277-K345 PolarHBondContact O-N 2.97Å; L277-I347 HydrophobicContact CB-CG2 4.42Å; L277-I347 HydrophobicContact CD1-CD1 3.45Å; L277-I347 VanDerWaalsContact CD1-CD1 3.45Å; L277-I347 HydrophobicContact CD1-CG1 3.76Å; L277-I347 HydrophobicContact CD1-CG2 4.06Å; L277-I347 HydrophobicContact CD2-CD1 4.24Å; L277-I347 HydrophobicContact CG-CD1 4.5Å
278	L	95.6	Very high	75.9	Confident	13 Å²	13	60.8 Å²	60.8	7%	0.068	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	140.7	168.9	-72.6	170.3	0	0	0	110.2	N227 I228 L233 Y343 V344	N227-L278 WeakPolarHBondContact CA-O 3.31Å; N227-L278 HydrophobicContact CB-CB 4.13Å; N227-L278 VanDerWaalsContact CB-O 3.28Å; N227-L278 WeakPolarHBondContact CB-O 3.5Å; N227-L278 PolarHBondContact N-O 2.74Å; I228-L278 HydrophobicContact CD1-CD1 4.44Å; I228-L278 HydrophobicContact CG1-CD1 3.96Å; I228-L278 PolarHBondContact O-N 3.29Å; L233-L278 HydrophobicContact CD1-CD1 4.39Å; L233-L278 HydrophobicContact CD2-CD1 4.3Å; L278-Y343 WeakPolarHBondContact CA-O 3.49Å; L278-V344 HydrophobicContact CD2-CG1 3.85Å
279	V	93	Very high	72.6	Confident	24 Å²	24	67.6 Å²	67.6	15%	0.145	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-76	145.6	166.9	-174.6	0	0	0	0	108.7	L226 Y343 K345	L226-V279 HydrophobicContact CD2-CG2 4.25Å; V279-Y343 PolarHBondContact N-O 2.77Å; V279-K345 HydrophobicContact CG2-CD 4.34Å; V279-K345 HydrophobicContact CG2-CG 4.01Å
280	W	86.8	Confident	69.1	Low	89 Å²	89	73.4 Å²	73.4	34%	0.337	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-64.4	144.1	173.5	-72.9	98.1	0	0	0	111.3	L225 L226 N227 Q282 L330 M333	L225-W280 PolarHBondContact O-NE1 3.11Å; L226-W280 PolarHBondContact O-NE1 2.8Å; N227-W280 HydrophobicContact CB-CD2 3.83Å; N227-W280 HydrophobicContact CB-CE3 4.26Å; N227-W280 HydrophobicContact CB-CG 4.2Å; N227-W280 HydrophobicContact CB-CH2 4.36Å; N227-W280 HydrophobicContact CB-CZ2 3.96Å; N227-W280 WeakPolarHBondContact OD1-CH2 3.38Å; W280-Q282 PolarHBondContact O-N 3.49Å; W280-Q282 VanDerWaalsContact O-N 3.12Å; W280-L330 HydrophobicContact CH2-CD2 4.16Å; W280-M333 HydrophobicContact CE3-CE 3.96Å; W280-M333 HydrophobicContact CZ3-CE 3.73Å; W280-M333 HydrophobicContact CZ3-SD 4.04Å
281	P	74.8	Confident	65.7	Low	42 Å²	42	79.6 Å²	79.6	27%	0.273	42%	0.421	S	S	.	.			trans	-42.9	118.3	161.5	-33.6	39.2	0	0	0	111.8	L283 Q340	P281-L283 PolarHBondContact O-N 3.48Å; P281-Q340 VanDerWaalsContact CA-OE1 3.26Å
282	Q	64.6	Low	62.1	Low	92 Å²	92	86.6 Å²	86.6	43%	0.43	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-67.1	122.5	150.3	-76.1	-170.3	-84	0	0	106.2	R201 Y202 W280 Q340	R201-Q282 VanDerWaalsContact NH2-CD 3.31Å; Y202-Q282 PolarHBondContact OH-OE1 2.85Å; W280-Q282 PolarHBondContact O-N 3.49Å; W280-Q282 VanDerWaalsContact O-N 3.12Å; Q282-Q340 PolarHBondContact O-NE2 3.25Å
283	L	48.2	Very low	58.7	Low	133 Å²	133	92 Å²	92	70%	0.696	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-64.5	136.8	155.7	-64.1	172	0	0	0	106.2	P281 E285	P281-L283 PolarHBondContact O-N 3.48Å; L283-E285 PolarHBondContact O-N 3.07Å; L283-E285 VanDerWaalsContact O-N 3.11Å
284	P	38.6	Very low	55.2	Low	108 Å²	108	97.7 Å²	97.7	70%	0.701	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-61.7	118.2	174	25.7	-32.4	0	0	0	108.6	N286	P284-N286 PolarHBondContact O-N 2.89Å
285	E	32.4	Very low	51.7	Low	124 Å²	124	99.9 Å²	99.9	58%	0.579	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-66.6	126	167.7	-70.3	174.8	-135.7	0	0	107	L283 E287 Y296	L283-E285 PolarHBondContact O-N 3.07Å; L283-E285 VanDerWaalsContact O-N 3.11Å; E285-E287 PolarHBondContact O-N 3.39Å; E285-Y296 VanDerWaalsContact CD-OH 3.24Å; E285-Y296 PolarHBondContact OE2-OH 3.49Å
286	N	27.6	Very low	48.2	Very low	154 Å²	154	108.8 Å²	108.8	82%	0.824	58%	0.576	S	S	*	*			trans	-69.6	105.7	-177.6	-74.7	-40	0	0	0	109.4	P284 N288	P284-N286 PolarHBondContact O-N 2.89Å; N286-N288 VanDerWaalsContact C-N 3.27Å; N286-N288 PolarHBondContact O-N 3.24Å
287	E	26.5	Very low	44.7	Very low	189 Å²	189	115 Å²	115	88%	0.883	61%	0.605	S	S	*	*	S	Bend	trans	-63.6	85.9	168.6	-68.2	-173.3	168.1	0	0	110.1	E285	E285-E287 PolarHBondContact O-N 3.39Å
288	N	26.4	Very low	41.2	Very low	160 Å²	160	123.5 Å²	123.5	86%	0.856	64%	0.637	S	S	*	*			trans	-178	58.6	154.5	-100.2	-59.9	0	0	0	113.2	N286	N286-N288 VanDerWaalsContact C-N 3.27Å; N286-N288 PolarHBondContact O-N 3.24Å
289	T	28.8	Very low	37.8	Very low	142 Å²	142	125.6 Å²	125.6	87%	0.871	66%	0.661	S	S	*	*			trans	-149.5	116.2	152.2	10.2	0	0	0	0	110.5
290	T	25.4	Very low	34.6	Very low	123 Å²	123	131.8 Å²	131.8	76%	0.755	69%	0.694	S	S	*	*			trans	-89.1	148.3	174.9	45.9	0	0	0	0	111.7
291	N	24.9	Very low	31.7	Very low	144 Å²	144	133.4 Å²	133.4	77%	0.77	71%	0.709	S	S	*	*			trans	81.5	145.8	162.5	-51	-29.1	0	0	0	118.9
292	N	24.2	Very low	29.4	Very low	147 Å²	147	139.1 Å²	139.1	79%	0.786	74%	0.738	S	S	*	*			trans	72.9	95.9	164.7	-58.9	-10.4	0	0	0	118.5	T294	N292-T294 PolarHBondContact O-N 3.43Å
293	T	26.2	Very low	27.6	Very low	138 Å²	138	142.6 Å²	142.6	85%	0.847	76%	0.758	S	S	*	*			trans	21	89.5	130.1	-39.4	0	0	0	0	117.5
294	T	23.8	Very low	26.6	Very low	121 Å²	121	145.8 Å²	145.8	74%	0.742	77%	0.766	S	S	*	*			trans	176.6	157.6	137.1	24.4	0	0	0	0	112	N292	N292-T294 PolarHBondContact O-N 3.43Å
295	N	24.7	Very low	26	Very low	113 Å²	113	150.7 Å²	150.7	60%	0.604	78%	0.777	S	S	*	*			trans	52.2	83.7	145.1	-65.3	7	0	0	0	119.8	Q297	N295-Q297 HydrophobicContact CB-CB 4Å; N295-Q297 PolarHBondContact ND2-OE1 2.83Å; N295-Q297 PolarHBondContact O-N 3.23Å
296	Y	24.1	Very low	25.7	Very low	197 Å²	197	150.2 Å²	150.2	77%	0.773	79%	0.787	S	S	*	*			trans	-73.8	66.8	141.2	-92.5	-56.2	0	0	0	110.5	E285 Y298	E285-Y296 VanDerWaalsContact CD-OH 3.24Å; E285-Y296 PolarHBondContact OE2-OH 3.49Å; Y296-Y298 PolarHBondContact O-N 3.19Å
297	Q	24.6	Very low	25.5	Very low	130 Å²	130	152.1 Å²	152.1	61%	0.607	79%	0.791	S	S	*	*			trans	-82.4	101.9	-177.4	-173.3	171	23.4	0	0	110.2	N295 G299	N295-Q297 HydrophobicContact CB-CB 4Å; N295-Q297 PolarHBondContact ND2-OE1 2.83Å; N295-Q297 PolarHBondContact O-N 3.23Å; Q297-G299 PolarHBondContact O-N 3.21Å; Q297-G299 VanDerWaalsContact O-N 3.11Å
298	Y	24.9	Very low	25.6	Very low	210 Å²	210	152 Å²	152	82%	0.824	79%	0.79	S	S	*	*			trans	-61.1	114.5	167.8	-112.2	-92.1	0	0	0	109	Y296 D300	Y296-Y298 PolarHBondContact O-N 3.19Å; Y298-D300 VanDerWaalsContact C-N 3.34Å; Y298-D300 PolarHBondContact O-N 3.3Å
299	G	24.4	Very low	25.7	Very low	57 Å²	57	153.8 Å²	153.8	59%	0.588	79%	0.793	S	S	*	*			trans	-80.2	61.4	-162.9	0	0	0	0	0	115.9	Q297 N301	Q297-G299 PolarHBondContact O-N 3.21Å; Q297-G299 VanDerWaalsContact O-N 3.11Å; G299-N301 PolarHBondContact O-N 2.98Å
300	D	25.8	Very low	25.6	Very low	154 Å²	154	155 Å²	155	82%	0.824	79%	0.789	S	S	*	*			trans	-73.2	53	168.4	-87.1	-43.7	0	0	0	112.2	Y298	Y298-D300 VanDerWaalsContact C-N 3.34Å; Y298-D300 PolarHBondContact O-N 3.3Å
301	N	25	Very low	25.7	Very low	124 Å²	124	155.1 Å²	155.1	66%	0.663	79%	0.785	S	S	*	*			trans	-108.5	22.2	-177.2	-96.9	-36.7	0	0	0	113.5	G299	G299-N301 PolarHBondContact O-N 2.98Å
302	N	26.8	Very low	26	Very low	162 Å²	162	156.4 Å²	156.4	87%	0.866	79%	0.786	S	S	*	*	S	Bend	trans	-113.4	16.3	176.7	-89.5	-42.8	0	0	0	114.7
303	L	27.6	Very low	26	Very low	165 Å²	165	158.8 Å²	158.8	86%	0.864	79%	0.785	S	S	*	*	S	Bend	trans	-112.1	26.1	176.5	-142.8	79.1	0	0	0	114.8
304	K	26.2	Very low	26	Very low	200 Å²	200	159.3 Å²	159.3	87%	0.87	78%	0.783	S	S	*	*	S	Bend	trans	-133.4	54.2	176.1	-72.7	-173	177.5	175.2	0	113.4
305	K	26.2	Very low	26.1	Very low	210 Å²	210	157.2 Å²	157.2	91%	0.913	79%	0.785	S	S	*	*	S	Bend	trans	-154.3	32.6	173.8	-125.3	167.2	-170.9	174.9	0	118
306	S	25.2	Very low	26.2	Very low	114 Å²	114	159.9 Å²	159.9	80%	0.797	80%	0.8	S	S	*	*			trans	-150.8	45.5	179.4	55.5	0	0	0	0	115.9
307	Q	25.1	Very low	26.3	Very low	194 Å²	194	157.6 Å²	157.6	91%	0.907	80%	0.801	S	S	*	*			trans	-133.8	54.7	168.4	-72.8	-163.2	-0.1	0	0	113.5
308	Q	27	Very low	26.5	Very low	186 Å²	186	158 Å²	158	87%	0.869	81%	0.807	S	S	*	*			trans	-140.1	65.5	161	-77.1	-161.1	-7.8	0	0	111.9
309	H	29.5	Very low	26.7	Very low	199 Å²	199	156 Å²	156	92%	0.921	81%	0.811	S	S	*	*			trans	-143.4	126.1	147.6	-93.4	-72.5	0	0	0	108.1
310	Q	26.4	Very low	27	Very low	168 Å²	168	160.5 Å²	160.5	79%	0.785	82%	0.821	S	S	*	*			trans	-94.9	161.4	179.2	-64.3	-174.2	-17.9	0	0	111.4
311	N	27.5	Very low	27.3	Very low	125 Å²	125	159.4 Å²	159.4	67%	0.668	82%	0.815	S	S	*	*			trans	65.2	89.5	152.3	-52.7	-29.6	0	0	0	118.2
312	H	30.6	Very low	27.9	Very low	170 Å²	170	161.4 Å²	161.4	79%	0.787	83%	0.826	S	S	*	*				-170.8	135.4	97.6	-104.4	55.6	0	0	0	114.8
313	Y	23.9	Very low	28.2	Very low	198 Å²	198	156.3 Å²	156.3	78%	0.776	81%	0.812	S	S	*	*			trans	38.5	144.8	147.5	-86.1	-88.7	0	0	0	125.2
314	N	26.6	Very low	28.6	Very low	148 Å²	148	156.3 Å²	156.3	79%	0.791	80%	0.802	S	S	*	*			trans	61.9	85.6	157.9	-72	-2.5	0	0	0	118.4
315	G	25.3	Very low	29.3	Very low	77 Å²	77	152.7 Å²	152.7	79%	0.794	79%	0.792	S	S	*	*			trans	-73.3	-176.6	162.8	0	0	0	0	0	115.5
316	N	28	Very low	30.2	Very low	169 Å²	169	146.3 Å²	146.3	90%	0.904	77%	0.773	S	S	*	*			trans	-148.1	146.6	139.5	-131.8	-23.4	0	0	0	109
317	N	26.6	Very low	30.9	Very low	150 Å²	150	145.8 Å²	145.8	80%	0.802	76%	0.76	S	S	*	*			trans	-83.2	136.9	178.2	-75.2	-35.9	0	0	0	110.6
318	N	27.3	Very low	31.8	Very low	137 Å²	137	140.1 Å²	140.1	73%	0.733	74%	0.736	S	S	*	*			trans	-173.4	80.5	148.9	-94.5	-31.4	0	0	0	111.1
319	N	29.3	Very low	32.7	Very low	170 Å²	170	137.1 Å²	137.1	91%	0.909	72%	0.721	S	S	*	*			trans	-102	107.9	166.5	-84.2	-7.3	0	0	0	109.2
320	N	30.7	Very low	33.6	Very low	150 Å²	150	129.9 Å²	129.9	80%	0.802	69%	0.689	S	S	*	*			trans	-153	35.5	178.6	-129.7	-13.7	0	0	0	113.8
321	D	32.4	Very low	34.5	Very low	131 Å²	131	127 Å²	127	70%	0.701	67%	0.671	S	S	*	*			trans	-134.9	34.4	-171.6	-117.8	-35.5	0	0	0	115.6	G323	D321-G323 PolarHBondContact O-N 2.84Å
322	N	36.8	Very low	35.4	Very low	167 Å²	167	123.8 Å²	123.8	89%	0.893	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	8.4	176.5	-70.8	-3.1	0	0	0	114.2
323	G	34.7	Very low	35.9	Very low	55 Å²	55	118.8 Å²	118.8	57%	0.567	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-31.4	-174.2	0	0	0	0	0	115.4	D321	D321-G323 PolarHBondContact O-N 2.84Å
324	Y	34.3	Very low	36.9	Very low	165 Å²	165	111.1 Å²	111.1	65%	0.647	61%	0.611	S	S	*	*	H	α-helix	trans	-85.3	-38.5	-168	-121.4	-83.5	0	0	0	113.6	S326 M327 N328	Y324-S326 PolarHBondContact O-N 2.89Å; Y324-M327 PolarHBondContact O-N 2.91Å; Y324-N328 PolarHBondContact O-N 3.35Å
325	D	41	Very low	37.7	Very low	124 Å²	124	108.7 Å²	108.7	66%	0.663	60%	0.595	S	S	*	*	H	α-helix	trans	-65.8	-36.7	-175.7	-100.8	-22.2	0	0	0	113.4	M327 N328 H329	D325-M327 VanDerWaalsContact C-N 3.3Å; D325-M327 PolarHBondContact O-N 3.31Å; D325-N328 PolarHBondContact O-N 3.28Å; D325-N328 VanDerWaalsContact O-N 3.11Å; D325-H329 WeakPolarHBondContact O-CB 3.17Å; D325-H329 PolarHBondContact O-N 3.38Å
326	S	46.3	Very low	38.4	Very low	75 Å²	75	114 Å²	114	52%	0.524	59%	0.591	S	S	.	*	H	α-helix	trans	-60.1	-40.3	178.5	-171.9	0	0	0	0	112	Y324 H329 L330	Y324-S326 PolarHBondContact O-N 2.89Å; S326-H329 PolarHBondContact O-N 3.38Å; S326-L330 WeakPolarHBondContact O-CB 3.22Å; S326-L330 WeakPolarHBondContact O-CG 3.28Å; S326-L330 PolarHBondContact O-N 3.32Å
327	M	39.8	Very low	39	Very low	103 Å²	103	107.4 Å²	107.4	51%	0.507	56%	0.557	S	S	.	*	H	α-helix	trans	-70	-34.2	175.1	-85.7	-70.5	-70.2	0	0	113.1	L236 Y324 D325 R331	L236-M327 HydrophobicContact CD2-CE 4.01Å; Y324-M327 PolarHBondContact O-N 2.91Å; D325-M327 VanDerWaalsContact C-N 3.3Å; D325-M327 PolarHBondContact O-N 3.31Å; M327-R331 VanDerWaalsContact O-CB 3.28Å; M327-R331 WeakPolarHBondContact O-CB 3.49Å; M327-R331 PolarHBondContact O-N 3.11Å
328	N	44.8	Very low	39.7	Very low	75 Å²	75	106 Å²	106	40%	0.401	55%	0.553	S	S	.	*	H	α-helix	trans	-71.5	-37.8	174.3	-75.2	-28.6	0	0	0	111.9	Y324 D325 R331 S332	Y324-N328 PolarHBondContact O-N 3.35Å; D325-N328 PolarHBondContact O-N 3.28Å; D325-N328 VanDerWaalsContact O-N 3.11Å; N328-R331 PolarHBondContact O-N 3.13Å; N328-S332 WeakPolarHBondContact O-CB 3.33Å; N328-S332 PolarHBondContact O-N 3.24Å
329	H	45.9	Very low	40.4	Very low	124 Å²	124	108.1 Å²	108.1	57%	0.574	56%	0.559	S	S	*	*	H	α-helix	trans	-65.8	-47.5	174.3	-164.3	93	0	0	0	111.1	D325 S326 R331 S332 M333	D325-H329 WeakPolarHBondContact O-CB 3.17Å; D325-H329 PolarHBondContact O-N 3.38Å; S326-H329 PolarHBondContact O-N 3.38Å; H329-R331 VanDerWaalsContact C-N 3.34Å; H329-R331 PolarHBondContact O-N 3.43Å; H329-S332 WeakPolarHBondContact O-CB 3.39Å; H329-S332 PolarHBondContact O-N 3.49Å; H329-S332 VanDerWaalsContact O-N 3.16Å; H329-M333 WeakPolarHBondContact O-CG 3.48Å; H329-M333 PolarHBondContact O-N 3.03Å
330	L	47.1	Very low	41.7	Very low	46 Å²	46	103.5 Å²	103.5	24%	0.241	53%	0.532	C	S	.	.	H	α-helix	trans	-58.3	-43.1	172.9	-77.9	167.1	0	0	0	112	W280 S326 M333 C334	W280-L330 HydrophobicContact CH2-CD2 4.16Å; S326-L330 WeakPolarHBondContact O-CB 3.22Å; S326-L330 WeakPolarHBondContact O-CG 3.28Å; S326-L330 PolarHBondContact O-N 3.32Å; L330-M333 PolarHBondContact O-N 3Å; L330-C334 VanDerWaalsContact O-CB 3.28Å; L330-C334 WeakPolarHBondContact O-CB 3.32Å; L330-C334 PolarHBondContact O-N 3.04Å; L330-C334 PolarHBondContact O-SG 2.75Å
331	R	46.5	Very low	43.4	Very low	108 Å²	108	103.2 Å²	103.2	41%	0.408	52%	0.524	S	S	.	.	H	α-helix	trans	-61.5	-45	173.7	172.3	175.2	-78.1	165.4	-1.7	111.8	M327 N328 H329 C334 Q335	M327-R331 VanDerWaalsContact O-CB 3.28Å; M327-R331 WeakPolarHBondContact O-CB 3.49Å; M327-R331 PolarHBondContact O-N 3.11Å; N328-R331 PolarHBondContact O-N 3.13Å; H329-R331 VanDerWaalsContact C-N 3.34Å; H329-R331 PolarHBondContact O-N 3.43Å; R331-C334 PolarHBondContact O-N 3.37Å; R331-Q335 HydrophobicContact CG-CG 4.44Å; R331-Q335 VanDerWaalsContact CG-OE1 3.3Å; R331-Q335 WeakPolarHBondContact O-CB 3.47Å; R331-Q335 WeakPolarHBondContact O-CG 3.45Å; R331-Q335 PolarHBondContact O-N 3.27Å
332	S	45.3	Very low	45.7	Very low	57 Å²	57	97.3 Å²	97.3	40%	0.399	49%	0.492	S	S	.	.	H	α-helix	trans	-61.9	-43.8	178.6	-175.1	0	0	0	0	112	N328 H329 Q335	N328-S332 WeakPolarHBondContact O-CB 3.33Å; N328-S332 PolarHBondContact O-N 3.24Å; H329-S332 WeakPolarHBondContact O-CB 3.39Å; H329-S332 PolarHBondContact O-N 3.49Å; H329-S332 VanDerWaalsContact O-N 3.16Å; S332-Q335 PolarHBondContact O-N 3.17Å
333	M	42.1	Very low	48.3	Very low	66 Å²	66	92.4 Å²	92.4	33%	0.325	46%	0.462	S	S	.	.	H	α-helix	trans	-63.3	-49.3	172.4	-70.2	-172.6	76.2	0	0	111.5	W280 H329 L330 Q335 R336	W280-M333 HydrophobicContact CE3-CE 3.96Å; W280-M333 HydrophobicContact CZ3-CE 3.73Å; W280-M333 HydrophobicContact CZ3-SD 4.04Å; H329-M333 WeakPolarHBondContact O-CG 3.48Å; H329-M333 PolarHBondContact O-N 3.03Å; L330-M333 PolarHBondContact O-N 3Å; M333-Q335 VanDerWaalsContact C-N 3.26Å; M333-Q335 PolarHBondContact O-N 2.96Å; M333-R336 PolarHBondContact O-N 3.14Å
334	C	43.6	Very low	51.2	Low	36 Å²	36	90 Å²	90	24%	0.243	44%	0.435	C	S	.	.	H	α-helix	trans	-61.8	-31.1	179.6	-69.5	0	0	0	0	113	L330 R331 R336 V337	L330-C334 VanDerWaalsContact O-CB 3.28Å; L330-C334 WeakPolarHBondContact O-CB 3.32Å; L330-C334 PolarHBondContact O-N 3.04Å; L330-C334 PolarHBondContact O-SG 2.75Å; R331-C334 PolarHBondContact O-N 3.37Å; C334-R336 VanDerWaalsContact C-N 3.25Å; C334-R336 PolarHBondContact O-N 3.01Å; C334-V337 WeakPolarHBondContact O-CB 3.45Å; C334-V337 PolarHBondContact O-N 3.43Å; C334-V337 VanDerWaalsContact O-N 3.11Å
335	Q	43.5	Very low	54.2	Low	98 Å²	98	82.5 Å²	82.5	46%	0.458	41%	0.407	S	S	.	.	H	α-helix	trans	-71.3	-16.1	175.2	-79.7	-174.3	-107.1	0	0	113.9	R331 S332 M333 V337	R331-Q335 HydrophobicContact CG-CG 4.44Å; R331-Q335 VanDerWaalsContact CG-OE1 3.3Å; R331-Q335 WeakPolarHBondContact O-CB 3.47Å; R331-Q335 WeakPolarHBondContact O-CG 3.45Å; R331-Q335 PolarHBondContact O-N 3.27Å; S332-Q335 PolarHBondContact O-N 3.17Å; M333-Q335 VanDerWaalsContact C-N 3.26Å; M333-Q335 PolarHBondContact O-N 2.96Å; Q335-V337 VanDerWaalsContact C-N 3.34Å
336	R	39.3	Very low	56.9	Low	188 Å²	188	76.8 Å²	76.8	71%	0.709	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-4.9	169.4	-59.1	-176.3	-168.6	-152.5	1.7	112.8	M333 C334 T338	M333-R336 PolarHBondContact O-N 3.14Å; C334-R336 VanDerWaalsContact C-N 3.25Å; C334-R336 PolarHBondContact O-N 3.01Å; R336-T338 PolarHBondContact O-N 3.34Å; R336-T338 VanDerWaalsContact O-N 3.08Å
337	V	42.2	Very low	59.3	Low	31 Å²	31	74.9 Å²	74.9	19%	0.188	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	57.1	176.5	-166.5	0	0	0	0	110.3	C334 Q335	C334-V337 WeakPolarHBondContact O-CB 3.45Å; C334-V337 PolarHBondContact O-N 3.43Å; C334-V337 VanDerWaalsContact O-N 3.11Å; Q335-V337 VanDerWaalsContact C-N 3.34Å
338	T	41	Very low	62	Low	119 Å²	119	71 Å²	71	73%	0.73	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-18.1	170	49.3	0	0	0	0	113	R336	R336-T338 PolarHBondContact O-N 3.34Å; R336-T338 VanDerWaalsContact O-N 3.08Å
339	E	42.6	Very low	64.5	Low	183 Å²	183	67.5 Å²	67.5	86%	0.855	32%	0.322	S	S	*	.	S	Bend	trans	-120.8	-16.9	-177.7	-63.7	179.6	156.6	0	0	113.3
340	Q	54.9	Low	66.8	Low	73 Å²	73	62.1 Å²	62.1	34%	0.341	30%	0.3	S	S	.	.	S	Bend	trans	-79	142.8	176.3	-69	-154	-22.8	0	0	112.3	P281 Q282 D342	P281-Q340 VanDerWaalsContact CA-OE1 3.26Å; Q282-Q340 PolarHBondContact O-NE2 3.25Å; Q340-D342 PolarHBondContact O-N 3.34Å
341	K	66.3	Low	69	Low	144 Å²	144	61.9 Å²	61.9	63%	0.626	30%	0.302	S	S	*	.			trans	-60.8	121.8	171.8	-66.9	174.2	-179.3	175.3	0	109.2	Y343	K341-Y343 HydrophobicContact CB-CD2 4Å; K341-Y343 HydrophobicContact CB-CE1 4.41Å; K341-Y343 HydrophobicContact CB-CE2 3.66Å; K341-Y343 HydrophobicContact CD-CE2 4.08Å; K341-Y343 VanDerWaalsContact CD-OH 3.27Å; K341-Y343 WeakPolarHBondContact CD-OH 3.31Å; K341-Y343 HydrophobicContact CG-CE2 4.5Å; K341-Y343 WeakPolarHBondContact O-CD2 3.29Å; K341-Y343 PolarHBondContact O-N 3.11Å
342	D	80.8	Confident	71.4	Confident	6 Å²	6	57.2 Å²	57.2	3%	0.032	29%	0.286	C	S	.	.			trans	-68.7	70.8	178.7	-59.3	-84.4	0	0	0	112.2	R246 R249 I250 Q253 Q340	R246-D342 IonicContact CZ-OD1 3.57Å; R246-D342 IonicContact NE-OD1 2.81Å; R246-D342 PolarHBondContact NE-OD1 2.85Å; R246-D342 IonicContact NE-OD2 3.84Å; R246-D342 IonicContact NH2-OD1 3.55Å; R246-D342 PolarHBondContact NH2-OD1 3.1Å; R249-D342 IonicContact CZ-OD2 2.68Å; R249-D342 IonicContact NE-OD2 3.75Å; R249-D342 PolarHBondContact NE-OD2 3.48Å; R249-D342 VanDerWaalsContact NE-OD2 3.17Å; R249-D342 IonicContact NH2-OD2 3.6Å; R249-D342 PolarHBondContact NH2-OD2 3.45Å; I250-D342 HydrophobicContact CD1-CB 4.46Å; I250-D342 HydrophobicContact CG1-CB 4.1Å; Q253-D342 PolarHBondContact NE2-O 3.13Å; Q340-D342 PolarHBondContact O-N 3.34Å
343	Y	92.4	Very high	73.8	Confident	65 Å²	65	54.7 Å²	54.7	26%	0.255	27%	0.269	S	S	.	.			trans	-69.6	133.1	178.4	-70.8	-61.7	0	0	0	110.8	Y202 Q253 L278 V279 K341	Y202-Y343 AromaticContact CD1-CD1 3.42Å; Y202-Y343 HydrophobicContact CD1-CD1 3.42Å; Y202-Y343 VanDerWaalsContact CD1-CD1 3.42Å; Y202-Y343 AromaticContact CD1-CD2 3.71Å; Y202-Y343 HydrophobicContact CD1-CD2 3.71Å; Y202-Y343 AromaticContact CD1-CE1 3.64Å; Y202-Y343 HydrophobicContact CD1-CE1 3.64Å; Y202-Y343 AromaticContact CD1-CE2 3.87Å; Y202-Y343 HydrophobicContact CD1-CE2 3.87Å; Y202-Y343 AromaticContact CD1-CG 3.46Å; Y202-Y343 HydrophobicContact CD1-CG 3.46Å; Y202-Y343 VanDerWaalsContact CD1-CG 3.46Å; Y202-Y343 AromaticContact CD1-CZ 3.83Å; Y202-Y343 HydrophobicContact CD2-CE1 4.33Å; Y202-Y343 HydrophobicContact CD2-CE2 4.31Å; Y202-Y343 AromaticContact CD2-CZ 3.99Å; Y202-Y343 HydrophobicContact CE1-CD1 4.07Å; Y202-Y343 AromaticContact CE1-CD2 3.47Å; Y202-Y343 HydrophobicContact CE1-CD2 3.47Å; Y202-Y343 VanDerWaalsContact CE1-CD2 3.47Å; Y202-Y343 HydrophobicContact CE1-CE1 4.35Å; Y202-Y343 AromaticContact CE1-CE2 3.74Å; Y202-Y343 HydrophobicContact CE1-CE2 3.74Å; Y202-Y343 AromaticContact CE1-CG 3.62Å; Y202-Y343 HydrophobicContact CE1-CG 3.62Å; Y202-Y343 HydrophobicContact CE2-CE2 4.19Å; Y202-Y343 AromaticContact CG-CD1 3.89Å; Y202-Y343 HydrophobicContact CG-CD1 3.89Å; Y202-Y343 HydrophobicContact CG-CD2 4.43Å; Y202-Y343 AromaticContact CG-CE1 3.62Å; Y202-Y343 HydrophobicContact CG-CE1 3.62Å; Y202-Y343 HydrophobicContact CG-CE2 4.15Å; Y202-Y343 HydrophobicContact CG-CG 4.3Å; Y202-Y343 AromaticContact CG-CZ 3.73Å; Y202-Y343 AromaticContact CZ-CE2 3.9Å; Q253-Y343 VanDerWaalsContact OE1-CA 3.25Å; L278-Y343 WeakPolarHBondContact CA-O 3.49Å; V279-Y343 PolarHBondContact N-O 2.77Å; K341-Y343 HydrophobicContact CB-CD2 4Å; K341-Y343 HydrophobicContact CB-CE1 4.41Å; K341-Y343 HydrophobicContact CB-CE2 3.66Å; K341-Y343 HydrophobicContact CD-CE2 4.08Å; K341-Y343 VanDerWaalsContact CD-OH 3.27Å; K341-Y343 WeakPolarHBondContact CD-OH 3.31Å; K341-Y343 HydrophobicContact CG-CE2 4.5Å; K341-Y343 WeakPolarHBondContact O-CD2 3.29Å; K341-Y343 PolarHBondContact O-N 3.11Å
344	V	95.6	Very high	76.3	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	157.7	-179.2	-70.9	0	0	0	0	111.9	P205 L230 I250 Q253 I276 L277 L278	P205-V344 WeakPolarHBondContact CB-O 3.36Å; L230-V344 HydrophobicContact CD2-CG1 4.3Å; I250-V344 HydrophobicContact CG1-CG1 4.21Å; I250-V344 HydrophobicContact CG2-CG1 4.27Å; I250-V344 HydrophobicContact CG2-CG2 4.35Å; Q253-V344 HydrophobicContact CB-CG2 3.62Å; Q253-V344 HydrophobicContact CG-CG2 4.38Å; I276-V344 HydrophobicContact CG2-CB 3.84Å; I276-V344 HydrophobicContact CG2-CG1 4.17Å; I276-V344 HydrophobicContact CG2-CG2 4.31Å; L277-V344 CarbonylContact O-C 3.47Å; L277-V344 VanDerWaalsContact O-CA 3.25Å; L277-V344 WeakPolarHBondContact O-CA 3.25Å; L278-V344 HydrophobicContact CD2-CG1 3.85Å
345	K	97	Very high	78.5	Confident	9 Å²	9	55.7 Å²	55.7	4%	0.039	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.7	171.1	-71.3	-171.6	159.5	-143.7	0	112.4	P205 I206 N208 E224 L226 I276 L277 V279	P205-K345 WeakPolarHBondContact O-CA 3.23Å; I206-K345 WeakPolarHBondContact O-CD 3.43Å; I206-K345 WeakPolarHBondContact O-CE 3.46Å; I206-K345 PolarHBondContact O-NZ 2.81Å; N208-K345 PolarHBondContact ND2-NZ 3.03Å; E224-K345 WeakPolarHBondContact OE1-CD 3.44Å; E224-K345 WeakPolarHBondContact OE1-CE 3.38Å; E224-K345 IonicContact OE1-NZ 2.74Å; E224-K345 PolarHBondContact OE1-NZ 3.49Å; E224-K345 IonicContact OE2-NZ 3.53Å; E224-K345 PolarHBondContact OE2-NZ 2.97Å; L226-K345 HydrophobicContact CD1-CB 3.81Å; L226-K345 HydrophobicContact CD1-CD 4.27Å; L226-K345 HydrophobicContact CD1-CG 4.49Å; L226-K345 HydrophobicContact CD2-CD 4.3Å; I276-K345 WeakPolarHBondContact CA-O 3.42Å; L277-K345 PolarHBondContact N-O 2.88Å; L277-K345 PolarHBondContact O-N 2.97Å; V279-K345 HydrophobicContact CG2-CD 4.34Å; V279-K345 HydrophobicContact CG2-CG 4.01Å
346	L	98	Very high	80.4	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	134.5	170.8	-175.3	59.8	0	0	0	110.5	P205 I207 A257 I261 L271 I276 F349	P205-L346 PolarHBondContact O-N 3.22Å; I207-L346 PolarHBondContact N-O 3.24Å; A257-L346 HydrophobicContact CB-CB 4.11Å; A257-L346 HydrophobicContact CB-CD2 4Å; I261-L346 HydrophobicContact CD1-CD2 4.38Å; L271-L346 HydrophobicContact CD1-CD1 3.44Å; L271-L346 VanDerWaalsContact CD1-CD1 3.44Å; I276-L346 HydrophobicContact CG1-CD1 4.25Å; L346-F349 HydrophobicContact CD2-CZ 3.99Å; L346-F349 HydrophobicContact CG-CE2 4.26Å; L346-F349 HydrophobicContact CG-CZ 4.17Å
347	I	97.5	Very high	82.4	Confident	35 Å²	35	51.7 Å²	51.7	18%	0.179	27%	0.274	C	S	.	.			trans	-131.7	172.1	-176.6	79.3	150.6	0	0	0	112.5	I207 L226 H268 N275 L277	I207-I347 HydrophobicContact CB-CG2 4.15Å; I207-I347 HydrophobicContact CD1-CG2 4.16Å; I207-I347 HydrophobicContact CG1-CG2 4.45Å; L226-I347 HydrophobicContact CD1-CG2 4.22Å; H268-I347 PolarHBondContact NE2-O 3.12Å; H268-I347 VanDerWaalsContact NE2-O 3.16Å; N275-I347 HydrophobicContact CB-CG1 4.23Å; N275-I347 WeakPolarHBondContact O-CG1 3.4Å; N275-I347 PolarHBondContact O-N 2.91Å; L277-I347 HydrophobicContact CB-CG2 4.42Å; L277-I347 HydrophobicContact CD1-CD1 3.45Å; L277-I347 VanDerWaalsContact CD1-CD1 3.45Å; L277-I347 HydrophobicContact CD1-CG1 3.76Å; L277-I347 HydrophobicContact CD1-CG2 4.06Å; L277-I347 HydrophobicContact CD2-CD1 4.24Å; L277-I347 HydrophobicContact CG-CD1 4.5Å
348	D	95.4	Very high	84.4	Confident	21 Å²	21	53.6 Å²	53.6	11%	0.112	28%	0.281	C	S	.	.			trans	64.2	60.7	170.5	-162.4	36.2	0	0	0	115.1	K166 G350	K166-D348 IonicContact NZ-OD1 3.15Å; K166-D348 PolarHBondContact NZ-OD1 3.11Å; D348-G350 PolarHBondContact O-N 3.03Å
349	F	96.8	Very high	86.4	Confident	1 Å²	1	51.3 Å²	51.3	0%	0.004	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-72.5	11.2	175.1	-71.8	-102.3	0	0	0	113.3	E181 I184 L185 L188 I206 I207 I261 H268 L346 S351 S352	E181-F349 HydrophobicContact CG-CB 4.07Å; E181-F349 PolarHBondContact OE1-N 3.37Å; I184-F349 HydrophobicContact CG2-CB 4.15Å; I184-F349 HydrophobicContact CG2-CD1 3.59Å; I184-F349 HydrophobicContact CG2-CE1 4.32Å; I184-F349 HydrophobicContact CG2-CG 4.15Å; L185-F349 HydrophobicContact CD2-CD2 3.73Å; L185-F349 HydrophobicContact CD2-CE2 4.11Å; L185-F349 HydrophobicContact CD2-CG 4.22Å; L185-F349 HydrophobicContact CG-CB 4.48Å; L185-F349 HydrophobicContact CG-CD2 4.48Å; L188-F349 HydrophobicContact CD1-CD1 4.28Å; L188-F349 HydrophobicContact CD1-CE1 3.7Å; L188-F349 HydrophobicContact CD1-CZ 4.01Å; I206-F349 HydrophobicContact CG2-CE2 3.93Å; I206-F349 HydrophobicContact CG2-CZ 3.94Å; I207-F349 HydrophobicContact CG2-CD2 4.45Å; I207-F349 HydrophobicContact CG2-CE2 4.39Å; I261-F349 HydrophobicContact CG2-CE1 3.95Å; I261-F349 HydrophobicContact CG2-CZ 4.17Å; H268-F349 AromaticContact CD2-CD1 3.83Å; H268-F349 AromaticContact CD2-CE1 3.71Å; H268-F349 AromaticContact CD2-CZ 3.94Å; L346-F349 HydrophobicContact CD2-CZ 3.99Å; L346-F349 HydrophobicContact CG-CE2 4.26Å; L346-F349 HydrophobicContact CG-CZ 4.17Å; F349-S351 PolarHBondContact O-N 2.84Å; F349-S351 VanDerWaalsContact O-N 3.13Å; F349-S352 VanDerWaalsContact CA-OG 3.29Å; F349-S352 WeakPolarHBondContact CA-OG 3.47Å; F349-S352 WeakPolarHBondContact CD1-OG 3.47Å; F349-S352 VanDerWaalsContact O-CB 3.31Å; F349-S352 WeakPolarHBondContact O-CB 3.26Å; F349-S352 PolarHBondContact O-N 2.87Å; F349-S352 PolarHBondContact O-OG 3.16Å
350	G	93.9	Very high	88.6	Confident	11 Å²	11	45.2 Å²	45.2	11%	0.113	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-64.9	-11	179.3	0	0	0	0	0	115.6	Q177 D348	Q177-G350 PolarHBondContact NE2-O 3.44Å; D348-G350 PolarHBondContact O-N 3.03Å
351	S	94.3	Very high	90.2	Very high	42 Å²	42	45.7 Å²	45.7	29%	0.294	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-108.8	-6.1	171.4	-60.7	0	0	0	0	113.7	C269 F349	C269-S351 WeakPolarHBondContact CB-O 3.3Å; F349-S351 PolarHBondContact O-N 2.84Å; F349-S351 VanDerWaalsContact O-N 3.13Å
352	S	96.5	Very high	91.4	Very high	9 Å²	9	43.6 Å²	43.6	6%	0.063	24%	0.235	C	C	.	.			trans	-73.8	158.8	-172.3	-54.2	0	0	0	0	112.7	I267 H268 F349	I267-S352 WeakPolarHBondContact O-CA 3.16Å; I267-S352 WeakPolarHBondContact O-CB 3.43Å; H268-S352 WeakPolarHBondContact CA-OG 3.31Å; H268-S352 WeakPolarHBondContact O-CA 3.49Å; H268-S352 PolarHBondContact O-OG 3.29Å; F349-S352 VanDerWaalsContact CA-OG 3.29Å; F349-S352 WeakPolarHBondContact CA-OG 3.47Å; F349-S352 WeakPolarHBondContact CD1-OG 3.47Å; F349-S352 VanDerWaalsContact O-CB 3.31Å; F349-S352 WeakPolarHBondContact O-CB 3.26Å; F349-S352 PolarHBondContact O-N 2.87Å; F349-S352 PolarHBondContact O-OG 3.16Å
353	C	96.1	Very high	92.1	Very high	5 Å²	5	44 Å²	44	3%	0.034	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	160.9	177.4	60.8	0	0	0	0	111.8	I267 C269 P359	I267-C353 PolarHBondContact N-O 2.79Å; I267-C353 PolarHBondContact O-N 3.29Å; I267-C353 VanDerWaalsContact O-N 3.07Å; C269-C353 VanDerWaalsContact SG-SG 3.66Å; C353-P359 HydrophobicContact CB-CG 4.47Å
354	F	95.5	Very high	92.3	Very high	47 Å²	47	41.4 Å²	41.4	21%	0.206	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	149.2	167.7	-65.4	-82	0	0	0	110.8	E180 I184 T187 G265 I266 N356 G357	E180-F354 WeakPolarHBondContact OE1-CD2 3.46Å; E180-F354 WeakPolarHBondContact OE1-CE2 3.07Å; I184-F354 HydrophobicContact CG1-CD2 4.47Å; I184-F354 HydrophobicContact CG1-CE2 3.79Å; I184-F354 HydrophobicContact CG1-CZ 3.93Å; T187-F354 HydrophobicContact CG2-CE1 4.4Å; G265-F354 CarbonylContact O-C 3.52Å; G265-F354 VanDerWaalsContact O-CA 3.32Å; G265-F354 WeakPolarHBondContact O-CA 3.27Å; I266-F354 HydrophobicContact CD1-CD1 4.42Å; I266-F354 HydrophobicContact CD1-CE1 3.81Å; I266-F354 HydrophobicContact CD1-CZ 4.35Å; I266-F354 HydrophobicContact CG1-CD1 3.66Å; I266-F354 HydrophobicContact CG1-CE1 3.55Å; I266-F354 HydrophobicContact CG1-CG 4.5Å; I266-F354 HydrophobicContact CG1-CZ 4.31Å; F354-N356 PolarHBondContact O-N 3.14Å; F354-G357 PolarHBondContact O-N 3.37Å
355	Q	89.1	Confident	92.4	Very high	76 Å²	76	42.9 Å²	42.9	36%	0.355	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-12.3	-174	-159.1	-168.5	31.8	0	0	115	G265 I267 Q358 E381	G265-Q355 PolarHBondContact O-N 3.49Å; I267-Q355 HydrophobicContact CD1-CG 4.48Å; Q355-Q358 PolarHBondContact O-NE2 2.99Å; Q355-Q358 PolarHBondContact O-OE1 3.2Å; Q355-Q358 VanDerWaalsContact O-OE1 3.1Å; Q355-E381 PolarHBondContact NE2-OE1 3.16Å; Q355-E381 PolarHBondContact NE2-OE2 2.99Å
356	N	84.1	Confident	92.4	Very high	159 Å²	159	43.5 Å²	43.5	85%	0.85	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.6	17.3	175.9	-64.2	-32.7	0	0	0	112.7	F354	F354-N356 PolarHBondContact O-N 3.14Å
357	G	79.7	Confident	92.4	Very high	42 Å²	42	45.8 Å²	45.8	43%	0.433	25%	0.25	S	S	.	.			trans	-138.4	25.5	-170.5	0	0	0	0	0	114.6	F354 P359	F354-G357 PolarHBondContact O-N 3.37Å; G357-P359 WeakPolarHBondContact O-CD 3.2Å; G357-P359 VanDerWaalsContact O-N 3.13Å
358	Q	85.4	Confident	92.5	Very high	72 Å²	72	44.4 Å²	44.4	34%	0.336	24%	0.243	S	C	.	.			trans	-53.8	107.7	-178.2	-69.9	84.4	-21.5	0	0	111.7	Q355 Y379	Q355-Q358 PolarHBondContact O-NE2 2.99Å; Q355-Q358 PolarHBondContact O-OE1 3.2Å; Q355-Q358 VanDerWaalsContact O-OE1 3.1Å; Q358-Y379 HydrophobicContact CB-CE1 3.99Å; Q358-Y379 HydrophobicContact CB-CE2 4.2Å; Q358-Y379 HydrophobicContact CG-CD1 4.37Å; Q358-Y379 HydrophobicContact CG-CD2 3.98Å; Q358-Y379 HydrophobicContact CG-CE1 3.91Å; Q358-Y379 HydrophobicContact CG-CE2 3.46Å; Q358-Y379 VanDerWaalsContact CG-CE2 3.46Å; Q358-Y379 HydrophobicContact CG-CG 4.41Å; Q358-Y379 VanDerWaalsContact CG-CZ 3.43Å; Q358-Y379 PolarHBondContact NE2-O 3.4Å
359	P	82.2	Confident	92.6	Very high	70 Å²	70	43.7 Å²	43.7	46%	0.455	24%	0.239	S	C	.	.			trans	-95.2	-17.9	-169.7	33.2	-29.4	0	0	0	114	C353 G357	C353-P359 HydrophobicContact CB-CG 4.47Å; G357-P359 WeakPolarHBondContact O-CD 3.2Å; G357-P359 VanDerWaalsContact O-N 3.13Å
360	Y	88.4	Confident	92.7	Very high	56 Å²	56	43.6 Å²	43.6	22%	0.22	24%	0.238	C	C	.	.			trans	-141.3	136.2	-173.6	-51	-59.1	0	0	0	111.7	R176 Y362 Y379	R176-Y360 PolarHBondContact NH2-OH 3.44Å; Y360-Y362 VanDerWaalsContact C-N 3.34Å; Y360-Y379 WeakPolarHBondContact O-CE1 3.47Å; Y360-Y379 PolarHBondContact O-OH 3.36Å; Y360-Y379 VanDerWaalsContact O-OH 3.07Å
361	P	88.5	Confident	92.9	Very high	82 Å²	82	43.1 Å²	43.1	53%	0.532	23%	0.233	S	C	.	.	S	Bend	trans	-87.5	-0	174.4	36.4	-36.9	0	0	0	113.5	R376	P361-R376 WeakPolarHBondContact O-CD 3.34Å
362	Y	92.5	Very high	93	Very high	100 Å²	100	41.1 Å²	41.1	39%	0.392	22%	0.219	S	C	.	.	S	Bend	trans	-122	99.4	175.5	-176.7	-89.6	0	0	0	108.9	Y360 R369 E407	Y360-Y362 VanDerWaalsContact C-N 3.34Å; Y362-R369 PolarHBondContact OH-NH1 3.49Å; Y362-R369 PolarHBondContact OH-NH2 2.88Å; Y362-R369 VanDerWaalsContact OH-NH2 3.13Å; Y362-E407 WeakPolarHBondContact CE2-OE1 3.35Å
363	I	94.7	Very high	93.1	Very high	15 Å²	15	40.8 Å²	40.8	8%	0.077	22%	0.216	C	C	.	.			trans	-138.7	179.7	-176.8	56.6	166.2	0	0	0	110.4	C269 R369 I373 Y379 I383	C269-I363 HydrophobicContact CB-CB 4.45Å; C269-I363 HydrophobicContact CB-CD1 4Å; I363-R369 PolarHBondContact O-NE 3.47Å; I363-R369 PolarHBondContact O-NH2 2.88Å; I363-I373 HydrophobicContact CD1-CD1 3.89Å; I363-I373 HydrophobicContact CD1-CG1 4.43Å; I363-I373 HydrophobicContact CG1-CD1 3.87Å; I363-I373 HydrophobicContact CG1-CG1 4.13Å; I363-I373 HydrophobicContact CG1-CG2 3.95Å; I363-Y379 HydrophobicContact CD1-CD1 4.41Å; I363-Y379 HydrophobicContact CD1-CD2 3.96Å; I363-Y379 HydrophobicContact CD1-CE1 3.97Å; I363-Y379 HydrophobicContact CD1-CE2 3.48Å; I363-Y379 VanDerWaalsContact CD1-CE2 3.48Å; I363-Y379 HydrophobicContact CD1-CG 4.39Å; I363-Y379 VanDerWaalsContact CD1-CZ 3.48Å; I363-I383 HydrophobicContact CD1-CD1 3.36Å; I363-I383 HydrophobicContact CG1-CD1 4.48Å
364	Q	97.2	Very high	93.1	Very high	10 Å²	10	40.5 Å²	40.5	5%	0.047	22%	0.215	C	C	.	.	S	Bend	trans	60.6	140.9	-174.7	-56.2	173.9	-64.3	0	0	115.1	C269 Y368 R369 I383 S387	C269-Q364 WeakPolarHBondContact O-CA 3.31Å; C269-Q364 WeakPolarHBondContact O-CG 3.3Å; C269-Q364 PolarHBondContact O-N 3.48Å; Q364-Y368 PolarHBondContact NE2-O 3.15Å; Q364-R369 HydrophobicContact CB-CB 4.03Å; Q364-R369 HydrophobicContact CB-CG 4.24Å; Q364-R369 PolarHBondContact O-NE 3.41Å; Q364-R369 PolarHBondContact O-NH2 3.22Å; Q364-I383 HydrophobicContact CG-CD1 4.33Å; Q364-I383 PolarHBondContact NE2-O 2.82Å; Q364-S387 PolarHBondContact NE2-OG 3.22Å
365	S	97	Very high	93.2	Very high	35 Å²	35	38.3 Å²	38.3	25%	0.245	21%	0.205	C	C	.	.			trans	-65.6	133.5	168.5	-65.3	0	0	0	0	110.4	D270 K272 F367 Y368 R369	D270-S365 VanDerWaalsContact OD1-CB 3.23Å; D270-S365 WeakPolarHBondContact OD1-CB 3.49Å; D270-S365 PolarHBondContact OD1-N 3.42Å; D270-S365 PolarHBondContact OD1-OG 2.74Å; D270-S365 PolarHBondContact OD2-OG 3.04Å; K272-S365 VanDerWaalsContact CD-OG 3.3Å; K272-S365 WeakPolarHBondContact CD-OG 3.45Å; K272-S365 PolarHBondContact NZ-OG 3.47Å; K272-S365 VanDerWaalsContact NZ-OG 3.09Å; S365-F367 VanDerWaalsContact C-N 3.35Å; S365-F367 PolarHBondContact O-N 2.68Å; S365-Y368 PolarHBondContact O-N 3.22Å; S365-R369 PolarHBondContact O-N 2.95Å
366	R	97.8	Very high	93.4	Very high	22 Å²	22	37.5 Å²	37.5	8%	0.083	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-50	-44.8	-157	-158	-161.8	-51.7	107.8	5.4	115.2	Y368 R369 G404 Q410 E1332 H1334	R366-Y368 PolarHBondContact O-N 3.4Å; R366-R369 VanDerWaalsContact O-CB 3.32Å; R366-R369 WeakPolarHBondContact O-CB 3.31Å; R366-R369 PolarHBondContact O-N 3.27Å; R366-G404 WeakPolarHBondContact CD-O 3.49Å; R366-G404 PolarHBondContact NH1-O 3.22Å; R366-Q410 HydrophobicContact CG-CB 4.41Å; R366-Q410 HydrophobicContact CG-CG 4.34Å; R366-Q410 PolarHBondContact O-NE2 3.44Å; R366-Q410 PolarHBondContact O-OE1 2.9Å; R366-E1332 IonicContact CZ-OE1 3.72Å; R366-E1332 IonicContact NE-OE1 2.67Å; R366-E1332 VanDerWaalsContact NH2-CD 3.31Å; R366-E1332 IonicContact NH2-OE1 2.95Å; R366-E1332 PolarHBondContact NH2-OE1 2.9Å; R366-E1332 IonicContact NH2-OE2 2.72Å; R366-H1334 PolarHBondContact NH1-NE2 2.92Å; R366-H1334 PolarHBondContact NH2-NE2 2.97Å; R366-H1334 VanDerWaalsContact NH2-NE2 3.2Å
367	F	98.1	Very high	93.9	Very high	51 Å²	51	31.5 Å²	31.5	22%	0.224	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-65.9	-23.1	-176.1	-55.3	-30.5	0	0	0	113.9	S365 P400 F402 P403 G404 Q410 H1334	S365-F367 VanDerWaalsContact C-N 3.35Å; S365-F367 PolarHBondContact O-N 2.68Å; F367-P400 HydrophobicContact CB-CB 4.19Å; F367-P400 HydrophobicContact CD2-CB 3.92Å; F367-P400 HydrophobicContact CD2-CG 3.74Å; F367-P400 HydrophobicContact CE2-CG 4.06Å; F367-P400 HydrophobicContact CG-CB 4.17Å; F367-P400 HydrophobicContact CG-CG 4.48Å; F367-F402 WeakPolarHBondContact CD1-O 3.3Å; F367-P403 HydrophobicContact CE1-CB 4.39Å; F367-G404 WeakPolarHBondContact CE1-O 3.39Å; F367-Q410 PolarHBondContact O-NE2 2.86Å; F367-H1334 AromaticContact CZ-NE2 3.93Å
368	Y	98.7	Very high	94.5	Very high	7 Å²	7	32.9 Å²	32.9	3%	0.027	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-107.8	7.2	-177.8	-37.5	-82.3	0	0	0	112	K272 P273 Q364 S365 R366 S387 C390 E394	K272-Y368 HydrophobicContact CB-CD2 3.63Å; K272-Y368 HydrophobicContact CB-CE2 3.47Å; K272-Y368 VanDerWaalsContact CB-CE2 3.47Å; K272-Y368 HydrophobicContact CB-CG 4.21Å; P273-Y368 WeakPolarHBondContact CD-OH 3.36Å; P273-Y368 HydrophobicContact CG-CE1 4.2Å; Q364-Y368 PolarHBondContact NE2-O 3.15Å; S365-Y368 PolarHBondContact O-N 3.22Å; R366-Y368 PolarHBondContact O-N 3.4Å; Y368-S387 PolarHBondContact O-OG 2.93Å; Y368-C390 HydrophobicContact CD1-CB 3.83Å; Y368-E394 WeakPolarHBondContact CE1-OE2 3.33Å; Y368-E394 PolarHBondContact OH-OE2 3.44Å
369	R	98.5	Very high	95	Very high	5 Å²	5	30.4 Å²	30.4	2%	0.019	17%	0.168	C	C	.	.			trans	-76.5	132.4	-176	-176.2	177.8	-68.5	155.7	9.6	111.6	Y362 I363 Q364 S365 R366 I373 L374 W386 E407	Y362-R369 PolarHBondContact OH-NH1 3.49Å; Y362-R369 PolarHBondContact OH-NH2 2.88Å; Y362-R369 VanDerWaalsContact OH-NH2 3.13Å; I363-R369 PolarHBondContact O-NE 3.47Å; I363-R369 PolarHBondContact O-NH2 2.88Å; Q364-R369 HydrophobicContact CB-CB 4.03Å; Q364-R369 HydrophobicContact CB-CG 4.24Å; Q364-R369 PolarHBondContact O-NE 3.41Å; Q364-R369 PolarHBondContact O-NH2 3.22Å; S365-R369 PolarHBondContact O-N 2.95Å; R366-R369 VanDerWaalsContact O-CB 3.32Å; R366-R369 WeakPolarHBondContact O-CB 3.31Å; R366-R369 PolarHBondContact O-N 3.27Å; R369-I373 HydrophobicContact CG-CB 3.82Å; R369-I373 HydrophobicContact CG-CG2 3.86Å; R369-L374 HydrophobicContact CG-CD2 4.31Å; R369-L374 HydrophobicContact CG-CG 4.19Å; R369-W386 PolarHBondContact O-NE1 2.83Å; R369-E407 IonicContact CZ-OE1 3.75Å; R369-E407 IonicContact NH1-OE1 2.72Å; R369-E407 PolarHBondContact NH1-OE1 3.46Å
370	A	98.5	Very high	95.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.			trans	-75.1	150.8	-179.3	0	0	0	0	0	112.5	E372 I373 L374 I383 W386	A370-E372 VanDerWaalsContact C-N 3.29Å; A370-E372 HydrophobicContact CB-CG 4.17Å; A370-E372 WeakPolarHBondContact CB-OE2 3.44Å; A370-E372 PolarHBondContact O-N 3.4Å; A370-I373 HydrophobicContact CB-CG1 4.44Å; A370-I373 PolarHBondContact O-N 3.41Å; A370-I373 VanDerWaalsContact O-N 3.1Å; A370-L374 PolarHBondContact O-N 3.46Å; A370-I383 HydrophobicContact CB-CB 3.97Å; A370-I383 HydrophobicContact CB-CG2 3.91Å; A370-W386 VanDerWaalsContact CA-CD1 3.49Å; A370-W386 HydrophobicContact CB-CB 3.93Å; A370-W386 HydrophobicContact CB-CD2 4.38Å; A370-W386 HydrophobicContact CB-CG 3.82Å
371	P	98	Very high	96	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.8	-32	-175.2	25.6	-34.5	0	0	0	113.1	I373 L374 L375 W386 M411 L425 W560	P371-I373 VanDerWaalsContact C-N 3.31Å; P371-I373 PolarHBondContact O-N 2.97Å; P371-L374 PolarHBondContact O-N 3.48Å; P371-L375 WeakPolarHBondContact O-CB 3.43Å; P371-L375 VanDerWaalsContact O-CG 3.27Å; P371-L375 WeakPolarHBondContact O-CG 3.33Å; P371-L375 PolarHBondContact O-N 2.83Å; P371-W386 HydrophobicContact CG-CE3 4.21Å; P371-W386 HydrophobicContact CG-CH2 4.01Å; P371-W386 HydrophobicContact CG-CZ2 4.5Å; P371-W386 HydrophobicContact CG-CZ3 3.84Å; P371-M411 HydrophobicContact CB-CE 4.47Å; P371-L425 HydrophobicContact CB-CD2 4.26Å; P371-L425 HydrophobicContact CG-CD2 4.41Å; P371-W560 HydrophobicContact CB-CE3 3.72Å; P371-W560 HydrophobicContact CB-CZ3 3.56Å; P371-W560 HydrophobicContact CG-CE3 3.84Å; P371-W560 HydrophobicContact CG-CZ3 4.14Å
372	E	97.2	Very high	96.5	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-59.8	-36.7	173	56.1	-91.6	-144.3	0	0	113.1	A370 L375 R376 L377 I383 P562 R565	A370-E372 VanDerWaalsContact C-N 3.29Å; A370-E372 HydrophobicContact CB-CG 4.17Å; A370-E372 WeakPolarHBondContact CB-OE2 3.44Å; A370-E372 PolarHBondContact O-N 3.4Å; E372-L375 CarbonylContact O-C 3.5Å; E372-L375 PolarHBondContact O-N 3.02Å; E372-R376 PolarHBondContact O-N 3.42Å; E372-L377 HydrophobicContact CB-CB 4.22Å; E372-L377 HydrophobicContact CB-CD1 4.23Å; E372-L377 PolarHBondContact O-N 2.82Å; E372-I383 HydrophobicContact CG-CG2 3.96Å; E372-I383 WeakPolarHBondContact OE1-CG2 3.48Å; E372-P562 HydrophobicContact CB-CG 4.37Å; E372-P562 HydrophobicContact CG-CG 4.26Å; E372-R565 IonicContact OE1-CZ 2.67Å; E372-R565 IonicContact OE1-NH1 3.37Å; E372-R565 PolarHBondContact OE1-NH1 3.45Å; E372-R565 IonicContact OE1-NH2 2.73Å; E372-R565 PolarHBondContact OE1-NH2 3.3Å; E372-R565 IonicContact OE2-CZ 3.9Å; E372-R565 IonicContact OE2-NH1 2.72Å; E372-R565 IonicContact OE2-NH2 2.9Å; E372-R565 PolarHBondContact OE2-NH2 3.48Å
373	I	97.3	Very high	96.7	Very high	1 Å²	1	19 Å²	19	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-73.3	-37.9	176.3	-54.9	-56.4	0	0	0	111	I363 R369 A370 P371 L375 R376 Y379 I383	I363-I373 HydrophobicContact CD1-CD1 3.89Å; I363-I373 HydrophobicContact CD1-CG1 4.43Å; I363-I373 HydrophobicContact CG1-CD1 3.87Å; I363-I373 HydrophobicContact CG1-CG1 4.13Å; I363-I373 HydrophobicContact CG1-CG2 3.95Å; R369-I373 HydrophobicContact CG-CB 3.82Å; R369-I373 HydrophobicContact CG-CG2 3.86Å; A370-I373 HydrophobicContact CB-CG1 4.44Å; A370-I373 PolarHBondContact O-N 3.41Å; A370-I373 VanDerWaalsContact O-N 3.1Å; P371-I373 VanDerWaalsContact C-N 3.31Å; P371-I373 PolarHBondContact O-N 2.97Å; I373-L375 VanDerWaalsContact C-N 3.31Å; I373-R376 PolarHBondContact O-N 3.12Å; I373-R376 PolarHBondContact O-NH1 3.07Å; I373-Y379 HydrophobicContact CD1-CD1 3.45Å; I373-Y379 VanDerWaalsContact CD1-CD1 3.45Å; I373-Y379 HydrophobicContact CD1-CD2 4.3Å; I373-Y379 HydrophobicContact CD1-CE1 4.18Å; I373-Y379 HydrophobicContact CD1-CG 3.52Å; I373-I383 HydrophobicContact CD1-CG2 4.17Å; I373-I383 HydrophobicContact CG1-CG2 4.1Å
374	L	97.2	Very high	96.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63	-39.6	172.7	-67	170.8	0	0	0	111.3	R369 A370 P371 R376 E407 Q410 M411 I414 Y435	R369-L374 HydrophobicContact CG-CD2 4.31Å; R369-L374 HydrophobicContact CG-CG 4.19Å; A370-L374 PolarHBondContact O-N 3.46Å; P371-L374 PolarHBondContact O-N 3.48Å; L374-R376 VanDerWaalsContact C-N 3.29Å; L374-R376 PolarHBondContact O-N 3.22Å; L374-E407 HydrophobicContact CD2-CB 3.77Å; L374-E407 HydrophobicContact CD2-CG 3.89Å; L374-Q410 HydrophobicContact CD1-CB 4.41Å; L374-Q410 HydrophobicContact CD1-CG 3.97Å; L374-Q410 HydrophobicContact CD2-CB 4.45Å; L374-Q410 HydrophobicContact CD2-CG 4.36Å; L374-M411 HydrophobicContact CB-CE 3.62Å; L374-M411 HydrophobicContact CD1-CB 4.46Å; L374-M411 HydrophobicContact CD1-CE 3.9Å; L374-M411 HydrophobicContact CD1-SD 4.39Å; L374-M411 HydrophobicContact CG-CE 4.42Å; L374-I414 HydrophobicContact CD1-CD1 3.75Å; L374-Y435 VanDerWaalsContact O-CE2 3.27Å; L374-Y435 WeakPolarHBondContact O-CE2 3.14Å; L374-Y435 PolarHBondContact O-OH 3.26Å
375	L	96.3	Very high	97	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-0	178.4	-69	168.3	0	0	0	114.1	P371 E372 I373 L377 M411 L425 L426 S429 L432 Y435	P371-L375 WeakPolarHBondContact O-CB 3.43Å; P371-L375 VanDerWaalsContact O-CG 3.27Å; P371-L375 WeakPolarHBondContact O-CG 3.33Å; P371-L375 PolarHBondContact O-N 2.83Å; E372-L375 CarbonylContact O-C 3.5Å; E372-L375 PolarHBondContact O-N 3.02Å; I373-L375 VanDerWaalsContact C-N 3.31Å; L375-L377 VanDerWaalsContact C-N 3.28Å; L375-L377 HydrophobicContact CB-CD1 4.13Å; L375-L377 HydrophobicContact CB-CG 3.94Å; L375-L377 HydrophobicContact CD1-CD1 4.43Å; L375-L377 PolarHBondContact O-N 3.24Å; L375-M411 HydrophobicContact CD1-CE 4.36Å; L375-M411 HydrophobicContact CD2-CE 4.09Å; L375-M411 HydrophobicContact CG-CE 3.84Å; L375-L425 HydrophobicContact CD1-CD2 3.69Å; L375-L425 HydrophobicContact CD1-CG 3.76Å; L375-L426 HydrophobicContact CD1-CD2 3.76Å; L375-L426 HydrophobicContact CD2-CD2 3.92Å; L375-S429 WeakPolarHBondContact O-CB 3.36Å; L375-S429 PolarHBondContact O-OG 3.08Å; L375-L432 HydrophobicContact CD2-CD2 4.39Å; L375-Y435 HydrophobicContact CD2-CD2 3.85Å; L375-Y435 HydrophobicContact CD2-CE2 4.13Å
376	R	94.8	Very high	97.1	Very high	60 Å²	60	16.5 Å²	16.5	23%	0.226	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	38.6	180	-57.6	-67.6	-169.8	-97.8	-9.4	113.8	P361 E372 I373 L374 E407 E431	P361-R376 WeakPolarHBondContact O-CD 3.34Å; E372-R376 PolarHBondContact O-N 3.42Å; I373-R376 PolarHBondContact O-N 3.12Å; I373-R376 PolarHBondContact O-NH1 3.07Å; L374-R376 VanDerWaalsContact C-N 3.29Å; L374-R376 PolarHBondContact O-N 3.22Å; R376-E407 IonicContact CZ-OE1 3.22Å; R376-E407 IonicContact CZ-OE2 3.56Å; R376-E407 IonicContact NH1-OE1 2.81Å; R376-E407 PolarHBondContact NH1-OE1 2.91Å; R376-E407 IonicContact NH1-OE2 3.72Å; R376-E407 IonicContact NH2-OE1 2.69Å; R376-E407 PolarHBondContact NH2-OE1 3.1Å; R376-E407 IonicContact NH2-OE2 2.81Å; R376-E407 PolarHBondContact NH2-OE2 2.87Å; R376-E431 HydrophobicContact CB-CG 4.01Å; R376-E431 HydrophobicContact CG-CG 3.52Å
377	L	93.9	Very high	97.1	Very high	32 Å²	32	15.4 Å²	15.4	17%	0.168	9%	0.089	C	C	.	.			trans	-83.8	170.4	172.8	-55.8	176	0	0	0	110.9	E372 L375 L425 H428	E372-L377 HydrophobicContact CB-CB 4.22Å; E372-L377 HydrophobicContact CB-CD1 4.23Å; E372-L377 PolarHBondContact O-N 2.82Å; L375-L377 VanDerWaalsContact C-N 3.28Å; L375-L377 HydrophobicContact CB-CD1 4.13Å; L375-L377 HydrophobicContact CB-CG 3.94Å; L375-L377 HydrophobicContact CD1-CD1 4.43Å; L375-L377 PolarHBondContact O-N 3.24Å; L377-L425 HydrophobicContact CD1-CD1 3.7Å; L377-L425 HydrophobicContact CD1-CG 4.09Å; L377-L425 WeakPolarHBondContact CD1-O 3.37Å; L377-H428 HydrophobicContact CD2-CB 4.14Å
378	G	92.4	Very high	97.2	Very high	71 Å²	71	13 Å²	13	73%	0.732	8%	0.079	S	C	*	.			trans	-62.3	152.4	162	0	0	0	0	0	111.3
379	Y	95.5	Very high	97.2	Very high	20 Å²	20	12.7 Å²	12.7	8%	0.078	8%	0.077	C	C	.	.			trans	-140.3	155.1	-174.5	66.2	-94.5	0	0	0	113.2	I267 Q358 Y360 I363 I373 I383	I267-Y379 HydrophobicContact CD1-CD2 4.11Å; I267-Y379 HydrophobicContact CD1-CE2 4.15Å; Q358-Y379 HydrophobicContact CB-CE1 3.99Å; Q358-Y379 HydrophobicContact CB-CE2 4.2Å; Q358-Y379 HydrophobicContact CG-CD1 4.37Å; Q358-Y379 HydrophobicContact CG-CD2 3.98Å; Q358-Y379 HydrophobicContact CG-CE1 3.91Å; Q358-Y379 HydrophobicContact CG-CE2 3.46Å; Q358-Y379 VanDerWaalsContact CG-CE2 3.46Å; Q358-Y379 HydrophobicContact CG-CG 4.41Å; Q358-Y379 VanDerWaalsContact CG-CZ 3.43Å; Q358-Y379 PolarHBondContact NE2-O 3.4Å; Y360-Y379 WeakPolarHBondContact O-CE1 3.47Å; Y360-Y379 PolarHBondContact O-OH 3.36Å; Y360-Y379 VanDerWaalsContact O-OH 3.07Å; I363-Y379 HydrophobicContact CD1-CD1 4.41Å; I363-Y379 HydrophobicContact CD1-CD2 3.96Å; I363-Y379 HydrophobicContact CD1-CE1 3.97Å; I363-Y379 HydrophobicContact CD1-CE2 3.48Å; I363-Y379 VanDerWaalsContact CD1-CE2 3.48Å; I363-Y379 HydrophobicContact CD1-CG 4.39Å; I363-Y379 VanDerWaalsContact CD1-CZ 3.48Å; I373-Y379 HydrophobicContact CD1-CD1 3.45Å; I373-Y379 VanDerWaalsContact CD1-CD1 3.45Å; I373-Y379 HydrophobicContact CD1-CD2 4.3Å; I373-Y379 HydrophobicContact CD1-CE1 4.18Å; I373-Y379 HydrophobicContact CD1-CG 3.52Å; Y379-I383 HydrophobicContact CD2-CD1 3.83Å; Y379-I383 HydrophobicContact CE2-CD1 4.22Å
380	N	95.6	Very high	97.2	Very high	39 Å²	39	12.5 Å²	12.5	21%	0.209	8%	0.077	C	C	.	.			trans	-133.1	-167.6	178.1	64.4	12.7	0	0	0	109.6	A382 I383	N380-A382 PolarHBondContact O-N 3.44Å; N380-A382 VanDerWaalsContact O-N 3.13Å; N380-A382 WeakPolarHBondContact OD1-CB 3.14Å; N380-A382 PolarHBondContact OD1-N 3.24Å; N380-A382 VanDerWaalsContact OD1-N 3.08Å; N380-I383 WeakPolarHBondContact O-CG1 3.3Å; N380-I383 PolarHBondContact O-N 3Å
381	E	96.7	Very high	97.2	Very high	30 Å²	30	12.5 Å²	12.5	14%	0.14	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-12.8	-178.5	72.1	-88	-147.5	0	0	114.9	Q262 I267 Q355 I383 D384	Q262-E381 HydrophobicContact CG-CG 3.99Å; Q262-E381 PolarHBondContact NE2-OE1 2.93Å; I267-E381 HydrophobicContact CG1-CB 4.3Å; Q355-E381 PolarHBondContact NE2-OE1 3.16Å; Q355-E381 PolarHBondContact NE2-OE2 2.99Å; E381-I383 PolarHBondContact O-N 3.24Å; E381-I383 VanDerWaalsContact O-N 3.1Å; E381-D384 PolarHBondContact O-N 3.43Å; E381-D384 VanDerWaalsContact O-N 3.1Å
382	A	97.9	Very high	97.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61	-20.7	176.3	0	0	0	0	0	112.3	N380 D384 T385 W386 P562 R565	N380-A382 PolarHBondContact O-N 3.44Å; N380-A382 VanDerWaalsContact O-N 3.13Å; N380-A382 WeakPolarHBondContact OD1-CB 3.14Å; N380-A382 PolarHBondContact OD1-N 3.24Å; N380-A382 VanDerWaalsContact OD1-N 3.08Å; A382-D384 VanDerWaalsContact C-N 3.3Å; A382-D384 PolarHBondContact O-N 2.88Å; A382-T385 WeakPolarHBondContact O-CB 3.42Å; A382-T385 PolarHBondContact O-N 3.08Å; A382-W386 PolarHBondContact O-N 3.33Å; A382-W386 VanDerWaalsContact O-N 3.08Å; A382-P562 HydrophobicContact CB-CB 3.92Å; A382-R565 VanDerWaalsContact C-NH1 3.27Å; A382-R565 HydrophobicContact CB-CB 4.48Å; A382-R565 WeakPolarHBondContact O-CD 3.39Å; A382-R565 PolarHBondContact O-NH1 3.28Å
383	I	98.4	Very high	97.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.4	-35.3	175.7	72.9	176.1	0	0	0	112.2	I267 I363 Q364 A370 E372 I373 Y379 N380 E381 W386 S387	I267-I383 HydrophobicContact CG2-CD1 3.7Å; I267-I383 HydrophobicContact CG2-CG1 3.79Å; I363-I383 HydrophobicContact CD1-CD1 3.36Å; I363-I383 HydrophobicContact CG1-CD1 4.48Å; Q364-I383 HydrophobicContact CG-CD1 4.33Å; Q364-I383 PolarHBondContact NE2-O 2.82Å; A370-I383 HydrophobicContact CB-CB 3.97Å; A370-I383 HydrophobicContact CB-CG2 3.91Å; E372-I383 HydrophobicContact CG-CG2 3.96Å; E372-I383 WeakPolarHBondContact OE1-CG2 3.48Å; I373-I383 HydrophobicContact CD1-CG2 4.17Å; I373-I383 HydrophobicContact CG1-CG2 4.1Å; Y379-I383 HydrophobicContact CD2-CD1 3.83Å; Y379-I383 HydrophobicContact CE2-CD1 4.22Å; N380-I383 WeakPolarHBondContact O-CG1 3.3Å; N380-I383 PolarHBondContact O-N 3Å; E381-I383 PolarHBondContact O-N 3.24Å; E381-I383 VanDerWaalsContact O-N 3.1Å; I383-W386 WeakPolarHBondContact O-CB 3.45Å; I383-W386 PolarHBondContact O-N 3.3Å; I383-S387 PolarHBondContact O-N 3.36Å; I383-S387 PolarHBondContact O-OG 2.93Å
384	D	98.7	Very high	97.2	Very high	4 Å²	4	12.6 Å²	12.6	2%	0.021	8%	0.077	C	C	.	.	H	α-helix	trans	-76.2	-29.7	179.6	-62.8	-42.9	0	0	0	110.9	L258 I267 H268 C269 L271 E381 A382 W386 S387 F388	L258-D384 HydrophobicContact CD2-CB 3.9Å; I267-D384 WeakPolarHBondContact CG2-OD2 3.43Å; H268-D384 WeakPolarHBondContact CB-OD2 3.41Å; H268-D384 PolarHBondContact N-OD2 3.35Å; C269-D384 PolarHBondContact N-OD1 3.29Å; L271-D384 WeakPolarHBondContact CD2-O 3.38Å; E381-D384 PolarHBondContact O-N 3.43Å; E381-D384 VanDerWaalsContact O-N 3.1Å; A382-D384 VanDerWaalsContact C-N 3.3Å; A382-D384 PolarHBondContact O-N 2.88Å; D384-W386 VanDerWaalsContact C-N 3.33Å; D384-S387 PolarHBondContact O-N 2.98Å; D384-F388 WeakPolarHBondContact O-CB 3.43Å; D384-F388 PolarHBondContact O-N 2.84Å
385	T	98.7	Very high	97.2	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.018	8%	0.077	C	C	.	.	H	α-helix	trans	-63.9	-39	169.4	-62.3	0	0	0	0	111.4	A382 F388 G389 C557 R565 I566	A382-T385 WeakPolarHBondContact O-CB 3.42Å; A382-T385 PolarHBondContact O-N 3.08Å; T385-F388 WeakPolarHBondContact O-CB 3.37Å; T385-F388 PolarHBondContact O-N 3.29Å; T385-G389 PolarHBondContact O-N 2.85Å; T385-C557 HydrophobicContact CG2-CB 4.29Å; T385-R565 HydrophobicContact CG2-CG 3.88Å; T385-I566 HydrophobicContact CG2-CG2 4.31Å; T385-I566 WeakPolarHBondContact CG2-O 3.16Å
386	W	98.9	Very high	97.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.6	-46.3	173.1	176.5	-80.3	0	0	0	111.8	R369 A370 P371 A382 I383 D384 F388 G389 C390 F402 I414 L418 L558	R369-W386 PolarHBondContact O-NE1 2.83Å; A370-W386 VanDerWaalsContact CA-CD1 3.49Å; A370-W386 HydrophobicContact CB-CB 3.93Å; A370-W386 HydrophobicContact CB-CD2 4.38Å; A370-W386 HydrophobicContact CB-CG 3.82Å; P371-W386 HydrophobicContact CG-CE3 4.21Å; P371-W386 HydrophobicContact CG-CH2 4.01Å; P371-W386 HydrophobicContact CG-CZ2 4.5Å; P371-W386 HydrophobicContact CG-CZ3 3.84Å; A382-W386 PolarHBondContact O-N 3.33Å; A382-W386 VanDerWaalsContact O-N 3.08Å; I383-W386 WeakPolarHBondContact O-CB 3.45Å; I383-W386 PolarHBondContact O-N 3.3Å; D384-W386 VanDerWaalsContact C-N 3.33Å; W386-F388 VanDerWaalsContact C-N 3.25Å; W386-F388 PolarHBondContact O-N 2.94Å; W386-G389 PolarHBondContact O-N 3.15Å; W386-G389 VanDerWaalsContact O-N 3.16Å; W386-C390 PolarHBondContact O-N 3.3Å; W386-C390 VanDerWaalsContact O-N 3.08Å; W386-C390 PolarHBondContact O-SG 2.76Å; W386-C390 VanDerWaalsContact O-SG 3.34Å; W386-F402 HydrophobicContact CZ2-CD2 4.4Å; W386-F402 AromaticContact CZ2-CE2 3.9Å; W386-F402 HydrophobicContact CZ2-CE2 3.9Å; W386-I414 HydrophobicContact CH2-CG2 3.62Å; W386-I414 HydrophobicContact CZ2-CD1 3.79Å; W386-I414 HydrophobicContact CZ2-CG1 4Å; W386-I414 HydrophobicContact CZ2-CG2 3.86Å; W386-L418 HydrophobicContact CH2-CD1 3.61Å; W386-L418 HydrophobicContact CZ2-CD1 4.48Å; W386-L418 HydrophobicContact CZ3-CD1 4.15Å; W386-L558 HydrophobicContact CD2-CD2 3.84Å; W386-L558 HydrophobicContact CE3-CB 4.39Å; W386-L558 HydrophobicContact CE3-CD2 4.03Å; W386-L558 HydrophobicContact CG-CD2 4.28Å; W386-L558 HydrophobicContact CH2-CD2 4.49Å; W386-L558 HydrophobicContact CZ2-CD2 4.31Å; W386-L558 HydrophobicContact CZ3-CB 4.17Å; W386-L558 HydrophobicContact CZ3-CD2 4.36Å; W386-L558 VanDerWaalsContact CZ3-O 3.28Å; W386-L558 WeakPolarHBondContact CZ3-O 3.4Å
387	S	98.9	Very high	97	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-58.7	-37.9	173.6	-60.4	0	0	0	0	112.1	L271 Q364 Y368 I383 D384 C390 L391	L271-S387 WeakPolarHBondContact O-CB 3.36Å; Q364-S387 PolarHBondContact NE2-OG 3.22Å; Y368-S387 PolarHBondContact O-OG 2.93Å; I383-S387 PolarHBondContact O-N 3.36Å; I383-S387 PolarHBondContact O-OG 2.93Å; D384-S387 PolarHBondContact O-N 2.98Å; S387-C390 WeakPolarHBondContact O-CB 3.42Å; S387-C390 PolarHBondContact O-N 3.36Å; S387-L391 WeakPolarHBondContact O-CB 3.38Å; S387-L391 PolarHBondContact O-N 3.47Å
388	F	98.9	Very high	97	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.9	-41.6	174.8	172.1	-96.1	0	0	0	112.2	C251 V254 L255 L258 L271 D384 T385 W386 C390 L391 V392 F577	C251-F388 HydrophobicContact CB-CE2 3.76Å; C251-F388 HydrophobicContact CB-CZ 3.86Å; V254-F388 HydrophobicContact CB-CD2 4.32Å; V254-F388 HydrophobicContact CB-CE2 4.27Å; V254-F388 HydrophobicContact CG1-CD2 3.81Å; V254-F388 HydrophobicContact CG1-CE2 4.26Å; L255-F388 HydrophobicContact CD1-CE1 4.03Å; L255-F388 HydrophobicContact CD1-CE2 4.31Å; L255-F388 HydrophobicContact CD1-CZ 3.62Å; L255-F388 HydrophobicContact CD2-CD1 3.89Å; L255-F388 HydrophobicContact CD2-CD2 4.12Å; L255-F388 HydrophobicContact CD2-CE1 3.67Å; L255-F388 HydrophobicContact CD2-CE2 3.91Å; L255-F388 HydrophobicContact CD2-CG 4.11Å; L255-F388 HydrophobicContact CD2-CZ 3.68Å; L255-F388 HydrophobicContact CG-CD2 4.3Å; L255-F388 HydrophobicContact CG-CE1 3.95Å; L255-F388 HydrophobicContact CG-CE2 3.65Å; L255-F388 HydrophobicContact CG-CZ 3.44Å; L255-F388 VanDerWaalsContact CG-CZ 3.44Å; L258-F388 HydrophobicContact CD1-CB 4Å; L258-F388 HydrophobicContact CD1-CD2 4.49Å; L258-F388 HydrophobicContact CD1-CG 4.39Å; L271-F388 HydrophobicContact CD2-CB 3.92Å; D384-F388 WeakPolarHBondContact O-CB 3.43Å; D384-F388 PolarHBondContact O-N 2.84Å; T385-F388 WeakPolarHBondContact O-CB 3.37Å; T385-F388 PolarHBondContact O-N 3.29Å; W386-F388 VanDerWaalsContact C-N 3.25Å; W386-F388 PolarHBondContact O-N 2.94Å; F388-C390 VanDerWaalsContact C-N 3.32Å; F388-C390 PolarHBondContact O-N 3.03Å; F388-L391 HydrophobicContact CD2-CD2 4.39Å; F388-L391 WeakPolarHBondContact O-CB 3.31Å; F388-L391 PolarHBondContact O-N 3.46Å; F388-V392 HydrophobicContact CD1-CG2 4.12Å; F388-V392 HydrophobicContact CD2-CG2 4.29Å; F388-V392 HydrophobicContact CE1-CG2 3.61Å; F388-V392 HydrophobicContact CE2-CG2 3.8Å; F388-V392 HydrophobicContact CG-CG2 4.44Å; F388-V392 HydrophobicContact CZ-CG2 3.43Å; F388-V392 VanDerWaalsContact CZ-CG2 3.43Å; F388-V392 VanDerWaalsContact O-CG2 3.31Å; F388-V392 WeakPolarHBondContact O-CG2 3.5Å; F388-V392 PolarHBondContact O-N 3.44Å; F388-F577 HydrophobicContact CZ-CZ 4.47Å
389	G	98.7	Very high	97.1	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-58.5	-43.7	172.3	0	0	0	0	0	112.4	T385 W386 A393 L554	T385-G389 PolarHBondContact O-N 2.85Å; W386-G389 PolarHBondContact O-N 3.15Å; W386-G389 VanDerWaalsContact O-N 3.16Å; G389-A393 PolarHBondContact O-N 3.39Å; G389-L554 WeakPolarHBondContact O-CD2 3.4Å
390	C	98.7	Very high	97.1	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.007	4%	0.044	C	C	.	.	H	α-helix	trans	-63.4	-42.9	175.6	-61.5	0	0	0	0	112.1	Y368 W386 S387 F388 A393 E394	Y368-C390 HydrophobicContact CD1-CB 3.83Å; W386-C390 PolarHBondContact O-N 3.3Å; W386-C390 VanDerWaalsContact O-N 3.08Å; W386-C390 PolarHBondContact O-SG 2.76Å; W386-C390 VanDerWaalsContact O-SG 3.34Å; S387-C390 WeakPolarHBondContact O-CB 3.42Å; S387-C390 PolarHBondContact O-N 3.36Å; F388-C390 VanDerWaalsContact C-N 3.32Å; F388-C390 PolarHBondContact O-N 3.03Å; C390-A393 PolarHBondContact O-N 3.1Å; C390-E394 WeakPolarHBondContact O-CB 3.37Å; C390-E394 PolarHBondContact O-N 2.83Å
391	L	98.5	Very high	97.1	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-61.2	-48	176.5	171.4	70.5	0	0	0	112.6	V254 P273 I276 S387 F388 A393 E394 L395	V254-L391 HydrophobicContact CG1-CD2 4.08Å; V254-L391 HydrophobicContact CG2-CD2 4.34Å; P273-L391 HydrophobicContact CB-CD1 4.21Å; P273-L391 HydrophobicContact CG-CD1 3.72Å; I276-L391 HydrophobicContact CD1-CD1 4.08Å; I276-L391 HydrophobicContact CD1-CD2 3.39Å; I276-L391 HydrophobicContact CD1-CG 4.39Å; S387-L391 WeakPolarHBondContact O-CB 3.38Å; S387-L391 PolarHBondContact O-N 3.47Å; F388-L391 HydrophobicContact CD2-CD2 4.39Å; F388-L391 WeakPolarHBondContact O-CB 3.31Å; F388-L391 PolarHBondContact O-N 3.46Å; L391-A393 VanDerWaalsContact C-N 3.32Å; L391-A393 PolarHBondContact O-N 3.36Å; L391-E394 PolarHBondContact O-N 2.92Å; L391-L395 HydrophobicContact CD1-CD1 3.8Å; L391-L395 HydrophobicContact CD1-CD2 4.41Å; L391-L395 HydrophobicContact CD1-CG 3.93Å; L391-L395 HydrophobicContact CG-CD1 3.9Å; L391-L395 HydrophobicContact CG-CG 4.36Å; L391-L395 WeakPolarHBondContact O-CB 3.27Å; L391-L395 VanDerWaalsContact O-CG 3.3Å; L391-L395 WeakPolarHBondContact O-CG 3.48Å; L391-L395 PolarHBondContact O-N 3.08Å
392	V	98.2	Very high	97.2	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-56.4	-48.3	178.1	170.1	0	0	0	0	110.3	C251 F388 E394 L395 I396 V550 L554 W576	C251-V392 HydrophobicContact CB-CG2 4.24Å; F388-V392 HydrophobicContact CD1-CG2 4.12Å; F388-V392 HydrophobicContact CD2-CG2 4.29Å; F388-V392 HydrophobicContact CE1-CG2 3.61Å; F388-V392 HydrophobicContact CE2-CG2 3.8Å; F388-V392 HydrophobicContact CG-CG2 4.44Å; F388-V392 HydrophobicContact CZ-CG2 3.43Å; F388-V392 VanDerWaalsContact CZ-CG2 3.43Å; F388-V392 VanDerWaalsContact O-CG2 3.31Å; F388-V392 WeakPolarHBondContact O-CG2 3.5Å; F388-V392 PolarHBondContact O-N 3.44Å; V392-E394 PolarHBondContact O-N 3.2Å; V392-L395 PolarHBondContact O-N 3.39Å; V392-I396 HydrophobicContact CG1-CD1 3.87Å; V392-I396 WeakPolarHBondContact O-CD1 3.48Å; V392-I396 VanDerWaalsContact O-CG1 3.26Å; V392-I396 WeakPolarHBondContact O-CG1 3.1Å; V392-I396 PolarHBondContact O-N 3.13Å; V392-I396 VanDerWaalsContact O-N 3.14Å; V392-V550 HydrophobicContact CG1-CG2 4.21Å; V392-L554 HydrophobicContact CB-CD2 3.84Å; V392-L554 HydrophobicContact CG1-CD2 3.82Å; V392-L554 HydrophobicContact CG1-CG 4.31Å; V392-W576 HydrophobicContact CG1-CH2 4.4Å
393	A	97.2	Very high	97	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.008	4%	0.04	C	C	.	.	H	α-helix	trans	-63.2	-39.7	178.6	0	0	0	0	0	112.9	G389 C390 L391 I396 N397 L401 I507 L554	G389-A393 PolarHBondContact O-N 3.39Å; C390-A393 PolarHBondContact O-N 3.1Å; L391-A393 VanDerWaalsContact C-N 3.32Å; L391-A393 PolarHBondContact O-N 3.36Å; A393-I396 PolarHBondContact O-N 3.1Å; A393-N397 WeakPolarHBondContact O-CB 3.15Å; A393-N397 PolarHBondContact O-N 2.92Å; A393-L401 HydrophobicContact CB-CB 3.9Å; A393-L401 HydrophobicContact CB-CD1 4.22Å; A393-L401 HydrophobicContact CB-CD2 3.85Å; A393-L401 HydrophobicContact CB-CG 4.21Å; A393-I507 HydrophobicContact CB-CG2 3.71Å; A393-L554 HydrophobicContact CB-CD1 4.37Å; A393-L554 HydrophobicContact CB-CD2 4.12Å
394	E	96.8	Very high	96.9	Very high	3 Å²	3	6.9 Å²	6.9	1%	0.014	4%	0.04	C	C	.	.	H	α-helix	trans	-70.2	-40.8	177.5	178.4	158.1	-173.8	0	0	113	L234 Y368 C390 L391 V392 I396 N397 G398 L399 P400	L234-E394 HydrophobicContact CD1-CG 3.81Å; Y368-E394 WeakPolarHBondContact CE1-OE2 3.33Å; Y368-E394 PolarHBondContact OH-OE2 3.44Å; C390-E394 WeakPolarHBondContact O-CB 3.37Å; C390-E394 PolarHBondContact O-N 2.83Å; L391-E394 PolarHBondContact O-N 2.92Å; V392-E394 PolarHBondContact O-N 3.2Å; E394-I396 VanDerWaalsContact C-N 3.26Å; E394-I396 PolarHBondContact O-N 3.02Å; E394-N397 PolarHBondContact O-N 3.04Å; E394-G398 VanDerWaalsContact O-CA 3.28Å; E394-G398 WeakPolarHBondContact O-CA 3.49Å; E394-G398 PolarHBondContact O-N 3.46Å; E394-L399 WeakPolarHBondContact CA-O 3.48Å; E394-P400 WeakPolarHBondContact OE1-CD 3.13Å; E394-P400 WeakPolarHBondContact OE1-CG 3.21Å; E394-P400 WeakPolarHBondContact OE2-CA 3.49Å; E394-P400 WeakPolarHBondContact OE2-CB 3.21Å; E394-P400 WeakPolarHBondContact OE2-CG 3.42Å
395	L	96.8	Very high	96.7	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-63.9	-32.4	175.6	-67.7	173.4	0	0	0	112.2	L230 L234 G241 L242 V247 I250 L391 V392	L230-L395 HydrophobicContact CB-CD2 4.11Å; L230-L395 HydrophobicContact CD1-CD1 4.17Å; L230-L395 HydrophobicContact CD1-CD2 4.05Å; L234-L395 HydrophobicContact CD1-CD2 4.26Å; L234-L395 HydrophobicContact CG-CD2 4.4Å; G241-L395 CarbonylContact C-O 3.4Å; L242-L395 HydrophobicContact CD1-CD2 3.95Å; L242-L395 PolarHBondContact N-O 2.86Å; V247-L395 HydrophobicContact CB-CB 4.49Å; V247-L395 HydrophobicContact CG1-CB 3.74Å; V247-L395 HydrophobicContact CG1-CD1 4.27Å; V247-L395 HydrophobicContact CG2-CB 4Å; I250-L395 HydrophobicContact CG2-CD1 4.05Å; L391-L395 HydrophobicContact CD1-CD1 3.8Å; L391-L395 HydrophobicContact CD1-CD2 4.41Å; L391-L395 HydrophobicContact CD1-CG 3.93Å; L391-L395 HydrophobicContact CG-CD1 3.9Å; L391-L395 HydrophobicContact CG-CG 4.36Å; L391-L395 WeakPolarHBondContact O-CB 3.27Å; L391-L395 VanDerWaalsContact O-CG 3.3Å; L391-L395 WeakPolarHBondContact O-CG 3.48Å; L391-L395 PolarHBondContact O-N 3.08Å; V392-L395 PolarHBondContact O-N 3.39Å
396	I	94.9	Very high	96.5	Very high	20 Å²	20	9.3 Å²	9.3	10%	0.103	5%	0.052	C	C	.	.	H	α-helix	trans	-71.4	-49.9	173.7	-70.6	164.8	0	0	0	111.5	G241 V247 V392 A393 E394 V550	G241-I396 VanDerWaalsContact CA-O 3.31Å; G241-I396 WeakPolarHBondContact CA-O 3.45Å; V247-I396 HydrophobicContact CG1-CG1 4.15Å; V247-I396 HydrophobicContact CG2-CG1 4.26Å; V392-I396 HydrophobicContact CG1-CD1 3.87Å; V392-I396 WeakPolarHBondContact O-CD1 3.48Å; V392-I396 VanDerWaalsContact O-CG1 3.26Å; V392-I396 WeakPolarHBondContact O-CG1 3.1Å; V392-I396 PolarHBondContact O-N 3.13Å; V392-I396 VanDerWaalsContact O-N 3.14Å; A393-I396 PolarHBondContact O-N 3.1Å; E394-I396 VanDerWaalsContact C-N 3.26Å; E394-I396 PolarHBondContact O-N 3.02Å; I396-V550 HydrophobicContact CD1-CG2 3.59Å
397	N	92	Very high	96.4	Very high	7 Å²	7	9.9 Å²	9.9	4%	0.037	6%	0.055	C	C	.	.	H	α-helix	trans	-94.7	-14.6	-165.5	-163.5	25.7	0	0	0	113.7	A393 E394 L399 A506 I507 S510	A393-N397 WeakPolarHBondContact O-CB 3.15Å; A393-N397 PolarHBondContact O-N 2.92Å; E394-N397 PolarHBondContact O-N 3.04Å; N397-L399 VanDerWaalsContact C-N 3.26Å; N397-L399 PolarHBondContact O-N 2.9Å; N397-A506 PolarHBondContact ND2-O 3.04Å; N397-A506 VanDerWaalsContact ND2-O 3.13Å; N397-I507 WeakPolarHBondContact CB-O 3.45Å; N397-I507 PolarHBondContact OD1-O 3.2Å; N397-I507 VanDerWaalsContact OD1-O 3.14Å; N397-S510 WeakPolarHBondContact OD1-CB 3.49Å; N397-S510 PolarHBondContact OD1-N 3.07Å; N397-S510 PolarHBondContact OD1-OG 2.88Å
398	G	94.2	Very high	96.2	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	75.5	5.4	-175.7	0	0	0	0	0	115.2	F239 E394	F239-G398 WeakPolarHBondContact CB-O 3.28Å; F239-G398 WeakPolarHBondContact CD1-O 3.13Å; E394-G398 VanDerWaalsContact O-CA 3.28Å; E394-G398 WeakPolarHBondContact O-CA 3.49Å; E394-G398 PolarHBondContact O-N 3.46Å
399	L	94.6	Very high	96.1	Very high	41 Å²	41	11.5 Å²	11.5	22%	0.215	7%	0.067	C	C	.	.	S	Bend	trans	-143.9	146	-178.7	-64.6	176.9	0	0	0	110.1	F239 E394 N397	F239-L399 HydrophobicContact CB-CD2 4.2Å; E394-L399 WeakPolarHBondContact CA-O 3.48Å; N397-L399 VanDerWaalsContact C-N 3.26Å; N397-L399 PolarHBondContact O-N 2.9Å
400	P	96.3	Very high	96.1	Very high	22 Å²	22	11.5 Å²	11.5	14%	0.143	7%	0.067	C	C	.	.			trans	-52.6	140.3	179.6	-25.2	30.3	0	0	0	113.2	F367 E394 R514	F367-P400 HydrophobicContact CB-CB 4.19Å; F367-P400 HydrophobicContact CD2-CB 3.92Å; F367-P400 HydrophobicContact CD2-CG 3.74Å; F367-P400 HydrophobicContact CE2-CG 4.06Å; F367-P400 HydrophobicContact CG-CB 4.17Å; F367-P400 HydrophobicContact CG-CG 4.48Å; E394-P400 WeakPolarHBondContact OE1-CD 3.13Å; E394-P400 WeakPolarHBondContact OE1-CG 3.21Å; E394-P400 WeakPolarHBondContact OE2-CA 3.49Å; E394-P400 WeakPolarHBondContact OE2-CB 3.21Å; E394-P400 WeakPolarHBondContact OE2-CG 3.42Å; P400-R514 PolarHBondContact O-NH1 3.1Å
401	L	96.2	Very high	96.1	Very high	6 Å²	6	11.5 Å²	11.5	3%	0.031	7%	0.067	C	C	.	.	S	Bend	trans	-63	-48.7	178.5	-178	57.3	0	0	0	111.4	A393 P403 L503 A506 I507 R514 L558	A393-L401 HydrophobicContact CB-CB 3.9Å; A393-L401 HydrophobicContact CB-CD1 4.22Å; A393-L401 HydrophobicContact CB-CD2 3.85Å; A393-L401 HydrophobicContact CB-CG 4.21Å; L401-P403 VanDerWaalsContact O-CD 3.25Å; L401-P403 WeakPolarHBondContact O-CD 3.48Å; L401-L503 HydrophobicContact CD1-CD1 4.39Å; L401-L503 HydrophobicContact CD2-CD1 4.25Å; L401-A506 HydrophobicContact CD1-CB 3.83Å; L401-I507 HydrophobicContact CD1-CG2 4.12Å; L401-R514 PolarHBondContact O-NH1 2.76Å; L401-L558 HydrophobicContact CD2-CD1 3.47Å; L401-L558 VanDerWaalsContact CD2-CD1 3.47Å
402	F	97.1	Very high	96	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	-117.5	81.8	-177.2	-55	-55.7	0	0	0	111.4	F367 W386 G404 Q410 C413 I414 V417 L418 L558	F367-F402 WeakPolarHBondContact CD1-O 3.3Å; W386-F402 HydrophobicContact CZ2-CD2 4.4Å; W386-F402 AromaticContact CZ2-CE2 3.9Å; W386-F402 HydrophobicContact CZ2-CE2 3.9Å; F402-G404 VanDerWaalsContact C-N 3.31Å; F402-G404 PolarHBondContact O-N 3.17Å; F402-Q410 PolarHBondContact O-NE2 3.43Å; F402-Q410 PolarHBondContact O-OE1 3.25Å; F402-Q410 VanDerWaalsContact O-OE1 3.06Å; F402-C413 HydrophobicContact CB-CB 3.98Å; F402-C413 HydrophobicContact CD1-CB 4.09Å; F402-C413 WeakPolarHBondContact CD1-O 3.48Å; F402-C413 HydrophobicContact CG-CB 4.48Å; F402-I414 HydrophobicContact CB-CG1 4.36Å; F402-I414 HydrophobicContact CD1-CG1 4.08Å; F402-I414 HydrophobicContact CD2-CG1 3.95Å; F402-I414 HydrophobicContact CE1-CG1 4.34Å; F402-I414 HydrophobicContact CE2-CG1 4.22Å; F402-I414 HydrophobicContact CG-CG1 3.88Å; F402-I414 HydrophobicContact CZ-CG1 4.41Å; F402-V417 HydrophobicContact CE1-CB 3.98Å; F402-V417 HydrophobicContact CE1-CG1 4.46Å; F402-V417 HydrophobicContact CE1-CG2 4.01Å; F402-L418 HydrophobicContact CZ-CD1 3.96Å; F402-L418 HydrophobicContact CZ-CG 4.15Å; F402-L558 HydrophobicContact CE2-CD1 4.2Å; F402-L558 HydrophobicContact CE2-CD2 4.18Å; F402-L558 HydrophobicContact CZ-CD1 4.21Å
403	P	95.4	Very high	95.9	Very high	36 Å²	36	11.7 Å²	11.7	23%	0.234	7%	0.068	C	C	.	.			trans	-83.5	70.8	-179.6	35.7	-36.7	0	0	0	111.2	F367 L401 R495	F367-P403 HydrophobicContact CE1-CB 4.39Å; L401-P403 VanDerWaalsContact O-CD 3.25Å; L401-P403 WeakPolarHBondContact O-CD 3.48Å; P403-R495 PolarHBondContact O-NH2 3.46Å
404	G	95.9	Very high	96	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.01	7%	0.068	C	C	.	.			trans	-77	133	177.3	0	0	0	0	0	112.8	R366 F367 F402 D409 Q410	R366-G404 WeakPolarHBondContact CD-O 3.49Å; R366-G404 PolarHBondContact NH1-O 3.22Å; F367-G404 WeakPolarHBondContact CE1-O 3.39Å; F402-G404 VanDerWaalsContact C-N 3.31Å; F402-G404 PolarHBondContact O-N 3.17Å; G404-D409 WeakPolarHBondContact CA-OD2 3.34Å; G404-Q410 VanDerWaalsContact CA-OE1 3.26Å
405	E	94.6	Very high	96.1	Very high	28 Å²	28	11.6 Å²	11.6	13%	0.131	7%	0.067	C	C	.	.	S	Bend	trans	-71.8	-37.9	178.1	-70.9	172.1	-163.3	0	0	112.5	D409 S488 K489 R490 G491 H493	E405-D409 HydrophobicContact CB-CB 4.32Å; E405-D409 WeakPolarHBondContact CB-OD2 3.43Å; E405-D409 PolarHBondContact N-OD2 3.23Å; E405-S488 VanDerWaalsContact CD-CB 3.41Å; E405-S488 VanDerWaalsContact OE1-CB 3.27Å; E405-S488 WeakPolarHBondContact OE1-CB 3.38Å; E405-S488 PolarHBondContact OE1-OG 2.73Å; E405-S488 WeakPolarHBondContact OE2-CB 3.28Å; E405-S488 PolarHBondContact OE2-OG 3.15Å; E405-K489 PolarHBondContact OE2-N 3.44Å; E405-R490 PolarHBondContact O-NH2 3.09Å; E405-R490 WeakPolarHBondContact OE2-CA 3.34Å; E405-R490 WeakPolarHBondContact OE2-CB 3.34Å; E405-R490 PolarHBondContact OE2-N 2.86Å; E405-G491 VanDerWaalsContact CD-N 3.31Å; E405-G491 VanDerWaalsContact OE1-CA 3.26Å; E405-G491 WeakPolarHBondContact OE1-CA 3.21Å; E405-G491 PolarHBondContact OE1-N 2.82Å; E405-G491 PolarHBondContact OE2-N 2.96Å; E405-H493 IonicContact OE1-CE1 3.09Å; E405-H493 IonicContact OE1-CG 4Å; E405-H493 IonicContact OE1-ND1 3.98Å; E405-H493 PolarHBondContact OE1-ND1 2.97Å
406	D	94.8	Very high	96.1	Very high	29 Å²	29	13 Å²	13	16%	0.155	7%	0.074	C	C	.	.	S	Bend	trans	-138.3	-178.7	170.5	69.6	35.6	0	0	0	109.9	A408 D409 Q410 K489	D406-A408 VanDerWaalsContact C-N 3.27Å; D406-A408 PolarHBondContact O-N 2.96Å; D406-A408 WeakPolarHBondContact OD1-CA 3.46Å; D406-A408 WeakPolarHBondContact OD1-CB 3.21Å; D406-A408 PolarHBondContact OD1-N 3.03Å; D406-D409 PolarHBondContact O-N 3.4Å; D406-D409 PolarHBondContact OD1-N 3.24Å; D406-Q410 VanDerWaalsContact O-CB 3.3Å; D406-Q410 WeakPolarHBondContact O-CB 3.23Å; D406-Q410 PolarHBondContact O-N 3.08Å; D406-K489 IonicContact OD1-NZ 3.65Å; D406-K489 WeakPolarHBondContact OD2-CD 3.49Å; D406-K489 WeakPolarHBondContact OD2-CE 3.49Å; D406-K489 IonicContact OD2-NZ 3.74Å; D406-K489 PolarHBondContact OD2-NZ 3.26Å
407	E	95.5	Very high	96.2	Very high	13 Å²	13	12.7 Å²	12.7	6%	0.061	7%	0.073	C	C	.	.	H	α-helix	trans	-61.8	-30.2	-178.1	-66.2	-170.2	114.1	0	0	114	Y362 R369 L374 R376 Q410 M411 R434 Y435	Y362-E407 WeakPolarHBondContact CE2-OE1 3.35Å; R369-E407 IonicContact CZ-OE1 3.75Å; R369-E407 IonicContact NH1-OE1 2.72Å; R369-E407 PolarHBondContact NH1-OE1 3.46Å; L374-E407 HydrophobicContact CD2-CB 3.77Å; L374-E407 HydrophobicContact CD2-CG 3.89Å; R376-E407 IonicContact CZ-OE1 3.22Å; R376-E407 IonicContact CZ-OE2 3.56Å; R376-E407 IonicContact NH1-OE1 2.81Å; R376-E407 PolarHBondContact NH1-OE1 2.91Å; R376-E407 IonicContact NH1-OE2 3.72Å; R376-E407 IonicContact NH2-OE1 2.69Å; R376-E407 PolarHBondContact NH2-OE1 3.1Å; R376-E407 IonicContact NH2-OE2 2.81Å; R376-E407 PolarHBondContact NH2-OE2 2.87Å; E407-Q410 WeakPolarHBondContact O-CB 3.24Å; E407-M411 PolarHBondContact O-N 3.19Å; E407-M411 VanDerWaalsContact O-N 3.07Å; E407-R434 IonicContact OE2-CZ 2.7Å; E407-R434 VanDerWaalsContact OE2-CZ 3.22Å; E407-R434 IonicContact OE2-NH1 2.68Å; E407-R434 PolarHBondContact OE2-NH1 3.1Å; E407-R434 IonicContact OE2-NH2 3.52Å; E407-R434 PolarHBondContact OE2-NH2 2.79Å; E407-Y435 HydrophobicContact CB-CE1 4.49Å; E407-Y435 WeakPolarHBondContact O-CE1 3.42Å
408	A	95.9	Very high	96.4	Very high	24 Å²	24	14.1 Å²	14.1	20%	0.198	8%	0.08	C	C	.	.	H	α-helix	trans	-78.2	-38.8	178.2	0	0	0	0	0	111.6	D406 Q410 M411 A412 Y435	D406-A408 VanDerWaalsContact C-N 3.27Å; D406-A408 PolarHBondContact O-N 2.96Å; D406-A408 WeakPolarHBondContact OD1-CA 3.46Å; D406-A408 WeakPolarHBondContact OD1-CB 3.21Å; D406-A408 PolarHBondContact OD1-N 3.03Å; A408-Q410 VanDerWaalsContact C-N 3.32Å; A408-M411 PolarHBondContact O-N 3.43Å; A408-A412 PolarHBondContact O-N 3.44Å; A408-Y435 HydrophobicContact CB-CD1 4.25Å; A408-Y435 HydrophobicContact CB-CE1 4.29Å
409	D	97	Very high	96.6	Very high	10 Å²	10	14.2 Å²	14.2	5%	0.053	8%	0.082	C	C	.	.	H	α-helix	trans	-70.5	-28.3	171.8	-171.8	59.8	0	0	0	112.1	G404 E405 D406 A412 C413 S488 R495	G404-D409 WeakPolarHBondContact CA-OD2 3.34Å; E405-D409 HydrophobicContact CB-CB 4.32Å; E405-D409 WeakPolarHBondContact CB-OD2 3.43Å; E405-D409 PolarHBondContact N-OD2 3.23Å; D406-D409 PolarHBondContact O-N 3.4Å; D406-D409 PolarHBondContact OD1-N 3.24Å; D409-A412 PolarHBondContact O-N 2.97Å; D409-C413 PolarHBondContact O-N 2.79Å; D409-C413 PolarHBondContact O-SG 2.69Å; D409-S488 VanDerWaalsContact OD1-CB 3.32Å; D409-S488 WeakPolarHBondContact OD1-CB 3.32Å; D409-R495 IonicContact OD1-CZ 3.91Å; D409-R495 IonicContact OD1-NE 3.56Å; D409-R495 PolarHBondContact OD1-NE 2.99Å; D409-R495 IonicContact OD1-NH2 2.66Å; D409-R495 IonicContact OD2-CZ 2.73Å; D409-R495 IonicContact OD2-NE 3.14Å; D409-R495 IonicContact OD2-NH2 3.15Å; D409-R495 PolarHBondContact OD2-NH2 3.19Å
410	Q	97.6	Very high	96.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.6	-50.5	168.6	-171.5	68.5	29.5	0	0	110.6	R366 F367 L374 F402 G404 D406 E407 A408 A412 C413 I414	R366-Q410 HydrophobicContact CG-CB 4.41Å; R366-Q410 HydrophobicContact CG-CG 4.34Å; R366-Q410 PolarHBondContact O-NE2 3.44Å; R366-Q410 PolarHBondContact O-OE1 2.9Å; F367-Q410 PolarHBondContact O-NE2 2.86Å; L374-Q410 HydrophobicContact CD1-CB 4.41Å; L374-Q410 HydrophobicContact CD1-CG 3.97Å; L374-Q410 HydrophobicContact CD2-CB 4.45Å; L374-Q410 HydrophobicContact CD2-CG 4.36Å; F402-Q410 PolarHBondContact O-NE2 3.43Å; F402-Q410 PolarHBondContact O-OE1 3.25Å; F402-Q410 VanDerWaalsContact O-OE1 3.06Å; G404-Q410 VanDerWaalsContact CA-OE1 3.26Å; D406-Q410 VanDerWaalsContact O-CB 3.3Å; D406-Q410 WeakPolarHBondContact O-CB 3.23Å; D406-Q410 PolarHBondContact O-N 3.08Å; E407-Q410 WeakPolarHBondContact O-CB 3.24Å; A408-Q410 VanDerWaalsContact C-N 3.32Å; Q410-A412 VanDerWaalsContact C-N 3.27Å; Q410-A412 PolarHBondContact O-N 3.16Å; Q410-C413 WeakPolarHBondContact O-CB 3.49Å; Q410-C413 PolarHBondContact O-N 2.96Å; Q410-I414 HydrophobicContact CG-CD1 4.29Å; Q410-I414 VanDerWaalsContact O-CG1 3.29Å; Q410-I414 WeakPolarHBondContact O-CG1 3.47Å; Q410-I414 PolarHBondContact O-N 3.17Å
411	M	97.9	Very high	96.8	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-61.9	-34.6	175.5	-169	66.8	79.7	0	0	112.1	P371 L374 L375 E407 A408 I414 M415 Y435 W560	P371-M411 HydrophobicContact CB-CE 4.47Å; L374-M411 HydrophobicContact CB-CE 3.62Å; L374-M411 HydrophobicContact CD1-CB 4.46Å; L374-M411 HydrophobicContact CD1-CE 3.9Å; L374-M411 HydrophobicContact CD1-SD 4.39Å; L374-M411 HydrophobicContact CG-CE 4.42Å; L375-M411 HydrophobicContact CD1-CE 4.36Å; L375-M411 HydrophobicContact CD2-CE 4.09Å; L375-M411 HydrophobicContact CG-CE 3.84Å; E407-M411 PolarHBondContact O-N 3.19Å; E407-M411 VanDerWaalsContact O-N 3.07Å; A408-M411 PolarHBondContact O-N 3.43Å; M411-I414 PolarHBondContact O-N 2.79Å; M411-M415 HydrophobicContact CG-CE 3.73Å; M411-M415 WeakPolarHBondContact O-CG 3.28Å; M411-M415 PolarHBondContact O-N 2.86Å; M411-Y435 HydrophobicContact CB-CD1 3.64Å; M411-Y435 HydrophobicContact CB-CE1 4.02Å; M411-Y435 HydrophobicContact CB-CG 4.31Å; M411-Y435 HydrophobicContact CE-CD2 4.33Å; M411-Y435 HydrophobicContact CE-CE2 4.41Å; M411-Y435 HydrophobicContact CE-CG 4.41Å; M411-Y435 HydrophobicContact CG-CD1 3.94Å; M411-Y435 HydrophobicContact CG-CG 4.11Å; M411-W560 HydrophobicContact SD-CH2 3.96Å; M411-W560 HydrophobicContact SD-CZ3 3.9Å
412	A	97.3	Very high	96.7	Very high	1 Å²	1	17 Å²	17	1%	0.008	9%	0.093	C	C	.	.	H	α-helix	trans	-63.7	-45.9	173	0	0	0	0	0	112.5	A408 D409 Q410 I414 M415 E416 Y469 R495	A408-A412 PolarHBondContact O-N 3.44Å; D409-A412 PolarHBondContact O-N 2.97Å; Q410-A412 VanDerWaalsContact C-N 3.27Å; Q410-A412 PolarHBondContact O-N 3.16Å; A412-I414 VanDerWaalsContact C-N 3.27Å; A412-I414 PolarHBondContact O-N 3.12Å; A412-M415 PolarHBondContact O-N 2.87Å; A412-E416 WeakPolarHBondContact O-CB 3.4Å; A412-E416 PolarHBondContact O-N 2.89Å; A412-Y469 HydrophobicContact CB-CD1 3.57Å; A412-Y469 HydrophobicContact CB-CD2 3.84Å; A412-Y469 HydrophobicContact CB-CE1 3.95Å; A412-Y469 HydrophobicContact CB-CE2 4.2Å; A412-Y469 HydrophobicContact CB-CG 3.51Å; A412-R495 HydrophobicContact CB-CB 4.43Å; A412-R495 HydrophobicContact CB-CG 4.25Å
413	C	97	Very high	96.6	Very high	3 Å²	3	19 Å²	19	2%	0.02	11%	0.105	C	C	.	.	H	α-helix	trans	-57.8	-40	174.5	-66.1	0	0	0	0	112.3	F402 D409 Q410 R495	F402-C413 HydrophobicContact CB-CB 3.98Å; F402-C413 HydrophobicContact CD1-CB 4.09Å; F402-C413 WeakPolarHBondContact CD1-O 3.48Å; F402-C413 HydrophobicContact CG-CB 4.48Å; D409-C413 PolarHBondContact O-N 2.79Å; D409-C413 PolarHBondContact O-SG 2.69Å; Q410-C413 WeakPolarHBondContact O-CB 3.49Å; Q410-C413 PolarHBondContact O-N 2.96Å; C413-R495 PolarHBondContact SG-NH1 3.4Å; C413-R495 VanDerWaalsContact SG-NH1 3.35Å; C413-R495 PolarHBondContact SG-NH2 3.31Å; C413-R495 VanDerWaalsContact SG-NH2 3.43Å
414	I	98.2	Very high	96.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67.6	-47.1	179	-62.3	165.5	0	0	0	109.6	L374 W386 F402 Q410 M411 A412 E416 V417 L418 W560	L374-I414 HydrophobicContact CD1-CD1 3.75Å; W386-I414 HydrophobicContact CH2-CG2 3.62Å; W386-I414 HydrophobicContact CZ2-CD1 3.79Å; W386-I414 HydrophobicContact CZ2-CG1 4Å; W386-I414 HydrophobicContact CZ2-CG2 3.86Å; F402-I414 HydrophobicContact CB-CG1 4.36Å; F402-I414 HydrophobicContact CD1-CG1 4.08Å; F402-I414 HydrophobicContact CD2-CG1 3.95Å; F402-I414 HydrophobicContact CE1-CG1 4.34Å; F402-I414 HydrophobicContact CE2-CG1 4.22Å; F402-I414 HydrophobicContact CG-CG1 3.88Å; F402-I414 HydrophobicContact CZ-CG1 4.41Å; Q410-I414 HydrophobicContact CG-CD1 4.29Å; Q410-I414 VanDerWaalsContact O-CG1 3.29Å; Q410-I414 WeakPolarHBondContact O-CG1 3.47Å; Q410-I414 PolarHBondContact O-N 3.17Å; M411-I414 PolarHBondContact O-N 2.79Å; A412-I414 VanDerWaalsContact C-N 3.27Å; A412-I414 PolarHBondContact O-N 3.12Å; I414-E416 PolarHBondContact O-N 3.16Å; I414-V417 PolarHBondContact O-N 3.41Å; I414-L418 HydrophobicContact CG2-CD1 3.81Å; I414-L418 HydrophobicContact CG2-CG 4.42Å; I414-L418 WeakPolarHBondContact O-CB 3.3Å; I414-L418 PolarHBondContact O-N 3.35Å; I414-W560 HydrophobicContact CB-CH2 4.21Å; I414-W560 HydrophobicContact CG2-CH2 3.37Å; I414-W560 HydrophobicContact CG2-CZ2 3.67Å; I414-W560 HydrophobicContact CG2-CZ3 3.98Å
415	M	98.1	Very high	96.4	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-64.3	-39.3	179	-75.3	-167.5	-95	0	0	113.5	M411 A412 V417 G419 L420 F436 P467 Y469 P498 S499 W560	M411-M415 HydrophobicContact CG-CE 3.73Å; M411-M415 WeakPolarHBondContact O-CG 3.28Å; M411-M415 PolarHBondContact O-N 2.86Å; A412-M415 PolarHBondContact O-N 2.87Å; M415-V417 PolarHBondContact O-N 2.77Å; M415-V417 VanDerWaalsContact O-N 3.14Å; M415-G419 VanDerWaalsContact CA-O 3.22Å; M415-G419 WeakPolarHBondContact CA-O 3.3Å; M415-G419 WeakPolarHBondContact CG-O 3.19Å; M415-G419 WeakPolarHBondContact O-CA 3.28Å; M415-G419 PolarHBondContact O-N 2.99Å; M415-L420 HydrophobicContact SD-CD2 4.19Å; M415-F436 HydrophobicContact CE-CE1 4Å; M415-F436 HydrophobicContact CE-CZ 3.89Å; M415-F436 HydrophobicContact SD-CE1 3.83Å; M415-F436 HydrophobicContact SD-CZ 3.93Å; M415-P467 HydrophobicContact CE-CB 4.03Å; M415-P467 HydrophobicContact SD-CB 3.97Å; M415-P467 HydrophobicContact SD-CG 3.9Å; M415-Y469 HydrophobicContact CB-CE1 4.06Å; M415-Y469 HydrophobicContact CE-CD1 3.94Å; M415-Y469 HydrophobicContact CE-CE1 3.73Å; M415-Y469 HydrophobicContact SD-CE1 4.13Å; M415-P498 HydrophobicContact CB-CG 4.49Å; M415-P498 VanDerWaalsContact O-CA 3.23Å; M415-P498 WeakPolarHBondContact O-CA 3.2Å; M415-S499 PolarHBondContact O-N 3.16Å; M415-W560 HydrophobicContact CG-CH2 4.11Å; M415-W560 HydrophobicContact CG-CZ2 4.24Å
416	E	97.3	Very high	96.4	Very high	29 Å²	29	19.7 Å²	19.7	14%	0.136	11%	0.108	C	C	.	.	H	α-helix	trans	-53.7	-32.5	177.4	179.9	174.3	-154.6	0	0	112.4	A412 I414 G496 S499 S500 L501	A412-E416 WeakPolarHBondContact O-CB 3.4Å; A412-E416 PolarHBondContact O-N 2.89Å; I414-E416 PolarHBondContact O-N 3.16Å; E416-G496 VanDerWaalsContact CD-N 3.29Å; E416-G496 WeakPolarHBondContact OE1-CA 3.47Å; E416-G496 PolarHBondContact OE1-N 3.4Å; E416-S499 CarbonylContact O-C 3.59Å; E416-S499 WeakPolarHBondContact O-CA 3.23Å; E416-S499 PolarHBondContact O-N 3.02Å; E416-S500 PolarHBondContact O-N 3.14Å; E416-S500 VanDerWaalsContact O-N 3.07Å; E416-L501 HydrophobicContact CG-CB 3.94Å; E416-L501 PolarHBondContact O-N 3.01Å
417	V	97	Very high	96.2	Very high	14 Å²	14	25.3 Å²	25.3	9%	0.085	13%	0.127	C	C	.	.	H	α-helix	trans	-102.3	-41.5	-177.4	-176.4	0	0	0	0	113.5	F402 I414 M415 L501 L503 A506	F402-V417 HydrophobicContact CE1-CB 3.98Å; F402-V417 HydrophobicContact CE1-CG1 4.46Å; F402-V417 HydrophobicContact CE1-CG2 4.01Å; I414-V417 PolarHBondContact O-N 3.41Å; M415-V417 PolarHBondContact O-N 2.77Å; M415-V417 VanDerWaalsContact O-N 3.14Å; V417-L501 WeakPolarHBondContact CA-O 3.48Å; V417-L501 HydrophobicContact CG2-CB 4.3Å; V417-L501 HydrophobicContact CG2-CD2 4.1Å; V417-L501 HydrophobicContact CG2-CG 4.33Å; V417-L503 HydrophobicContact CG1-CB 4.14Å; V417-L503 HydrophobicContact CG1-CD1 3.82Å; V417-A506 HydrophobicContact CG1-CB 4.1Å; V417-A506 HydrophobicContact CG2-CB 4.14Å
418	L	97.6	Very high	95.8	Very high	37 Å²	37	32 Å²	32	19%	0.194	16%	0.158	C	C	.	.	H	α-helix	trans	-105.9	4.3	-170.6	-53.1	-178.2	0	0	0	114.2	W386 F402 I414 L558 W560	W386-L418 HydrophobicContact CH2-CD1 3.61Å; W386-L418 HydrophobicContact CZ2-CD1 4.48Å; W386-L418 HydrophobicContact CZ3-CD1 4.15Å; F402-L418 HydrophobicContact CZ-CD1 3.96Å; F402-L418 HydrophobicContact CZ-CG 4.15Å; I414-L418 HydrophobicContact CG2-CD1 3.81Å; I414-L418 HydrophobicContact CG2-CG 4.42Å; I414-L418 WeakPolarHBondContact O-CB 3.3Å; I414-L418 PolarHBondContact O-N 3.35Å; L418-L558 HydrophobicContact CD1-CB 3.89Å; L418-L558 WeakPolarHBondContact CD1-O 3.3Å; L418-L558 HydrophobicContact CD2-CB 4.4Å; L418-W560 HydrophobicContact CB-CZ2 4.23Å; L418-W560 PolarHBondContact O-NE1 3.13Å; L418-W560 VanDerWaalsContact O-NE1 3.12Å
419	G	97.3	Very high	95.6	Very high	3 Å²	3	31.6 Å²	31.6	3%	0.031	15%	0.154	C	C	.	.			trans	76.5	-157.6	-178.7	0	0	0	0	0	113.8	M415 S499 W560	M415-G419 VanDerWaalsContact CA-O 3.22Å; M415-G419 WeakPolarHBondContact CA-O 3.3Å; M415-G419 WeakPolarHBondContact CG-O 3.19Å; M415-G419 WeakPolarHBondContact O-CA 3.28Å; M415-G419 PolarHBondContact O-N 2.99Å; G419-S499 WeakPolarHBondContact CA-OG 3.36Å; G419-S499 PolarHBondContact N-OG 2.83Å; G419-W560 WeakPolarHBondContact O-CZ2 3.34Å
420	L	97.3	Very high	95.1	Very high	46 Å²	46	35.8 Å²	35.8	24%	0.241	18%	0.184	C	C	.	.	S	Bend	trans	-80.1	147.6	-179.2	-65.1	166	0	0	0	111.2	M415 V457 P467 P498 W560	M415-L420 HydrophobicContact SD-CD2 4.19Å; L420-V457 HydrophobicContact CB-CG2 3.94Å; L420-V457 HydrophobicContact CD1-CG2 4.46Å; L420-V457 HydrophobicContact CD2-CG2 4.36Å; L420-V457 HydrophobicContact CG-CG2 4.49Å; L420-P467 HydrophobicContact CD2-CG 3.53Å; L420-P498 HydrophobicContact CD2-CB 4.18Å; L420-P498 HydrophobicContact CD2-CG 3.81Å; L420-P498 HydrophobicContact CG-CB 4.15Å; L420-P498 HydrophobicContact CG-CG 4.3Å; L420-W560 PolarHBondContact O-NE1 3.35Å
421	P	96.9	Very high	94.8	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.013	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-63.7	146.7	174.2	-15	27	0	0	0	112	L425 L426 F436 W560	P421-L425 HydrophobicContact CB-CD2 4.35Å; P421-L426 HydrophobicContact CB-CD1 4.45Å; P421-L426 HydrophobicContact CB-CD2 3.93Å; P421-L426 HydrophobicContact CB-CG 4.17Å; P421-L426 HydrophobicContact CG-CD2 4.15Å; P421-F436 HydrophobicContact CG-CZ 3.79Å; P421-W560 HydrophobicContact CB-CD2 4.02Å; P421-W560 HydrophobicContact CB-CE3 3.73Å; P421-W560 HydrophobicContact CB-CH2 4.22Å; P421-W560 HydrophobicContact CB-CZ2 4.48Å; P421-W560 HydrophobicContact CB-CZ3 3.83Å; P421-W560 HydrophobicContact CG-CE3 4.09Å; P421-W560 HydrophobicContact CG-CH2 3.67Å; P421-W560 HydrophobicContact CG-CZ2 4.11Å; P421-W560 HydrophobicContact CG-CZ3 3.66Å
422	H	95.1	Very high	94.6	Very high	79 Å²	79	39.2 Å²	39.2	37%	0.366	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-62.2	135.1	176.1	-173.4	-100.8	0	0	0	111.5	N424 L425 L561	H422-N424 VanDerWaalsContact C-N 3.26Å; H422-N424 PolarHBondContact ND1-N 3.25Å; H422-N424 PolarHBondContact O-N 2.9Å; H422-L425 WeakPolarHBondContact O-CB 3.47Å; H422-L425 PolarHBondContact O-N 3.17Å; H422-L561 HydrophobicContact CB-CD1 4.38Å; H422-L561 HydrophobicContact CB-CD2 4.39Å; H422-L561 HydrophobicContact CB-CG 4.15Å
423	P	94.2	Very high	94.5	Very high	41 Å²	41	44.3 Å²	44.3	27%	0.266	23%	0.227	S	C	.	.	H	α-helix	trans	-49.9	-38.8	-175.2	-30	32.5	0	0	0	115.4	L425 L426 R427 V457 L459	P423-L425 VanDerWaalsContact C-N 3.26Å; P423-L425 PolarHBondContact O-N 2.88Å; P423-L426 PolarHBondContact O-N 3.28Å; P423-L426 VanDerWaalsContact O-N 3.16Å; P423-R427 PolarHBondContact O-N 2.7Å; P423-V457 HydrophobicContact CB-CG1 4.02Å; P423-V457 HydrophobicContact CG-CG1 3.72Å; P423-L459 HydrophobicContact CB-CD2 3.98Å
424	N	93.4	Very high	94.4	Very high	72 Å²	72	48.8 Å²	48.8	39%	0.385	24%	0.244	S	C	.	.	H	α-helix	trans	-64.8	-27.8	-178.9	-67.3	-9.8	0	0	0	113.3	H422 L426 R427 L561	H422-N424 VanDerWaalsContact C-N 3.26Å; H422-N424 PolarHBondContact ND1-N 3.25Å; H422-N424 PolarHBondContact O-N 2.9Å; N424-L426 VanDerWaalsContact C-N 3.35Å; N424-R427 VanDerWaalsContact OD1-CZ 3.27Å; N424-R427 PolarHBondContact OD1-NH1 3.01Å; N424-L561 HydrophobicContact CB-CD2 4.4Å
425	L	94.6	Very high	94.3	Very high	9 Å²	9	49 Å²	49	5%	0.047	25%	0.245	C	C	.	.	H	α-helix	trans	-69	-36.3	176	-169.1	70.9	0	0	0	111.1	P371 L375 L377 P421 H422 P423 W560 L561	P371-L425 HydrophobicContact CB-CD2 4.26Å; P371-L425 HydrophobicContact CG-CD2 4.41Å; L375-L425 HydrophobicContact CD1-CD2 3.69Å; L375-L425 HydrophobicContact CD1-CG 3.76Å; L377-L425 HydrophobicContact CD1-CD1 3.7Å; L377-L425 HydrophobicContact CD1-CG 4.09Å; L377-L425 WeakPolarHBondContact CD1-O 3.37Å; P421-L425 HydrophobicContact CB-CD2 4.35Å; H422-L425 WeakPolarHBondContact O-CB 3.47Å; H422-L425 PolarHBondContact O-N 3.17Å; P423-L425 VanDerWaalsContact C-N 3.26Å; P423-L425 PolarHBondContact O-N 2.88Å; L425-W560 HydrophobicContact CD2-CE3 3.93Å; L425-L561 HydrophobicContact CB-CD2 4.07Å; L425-L561 HydrophobicContact CD1-CD2 4.45Å
426	L	94.9	Very high	94.2	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-78.6	-30.6	-175.5	-62.5	-166.4	0	0	0	113.3	L375 P421 P423 N424 H428 S429 L432 F436 V457 L459	L375-L426 HydrophobicContact CD1-CD2 3.76Å; L375-L426 HydrophobicContact CD2-CD2 3.92Å; P421-L426 HydrophobicContact CB-CD1 4.45Å; P421-L426 HydrophobicContact CB-CD2 3.93Å; P421-L426 HydrophobicContact CB-CG 4.17Å; P421-L426 HydrophobicContact CG-CD2 4.15Å; P423-L426 PolarHBondContact O-N 3.28Å; P423-L426 VanDerWaalsContact O-N 3.16Å; N424-L426 VanDerWaalsContact C-N 3.35Å; L426-H428 PolarHBondContact O-N 3.3Å; L426-S429 PolarHBondContact O-N 3.34Å; L426-S429 VanDerWaalsContact O-N 3.1Å; L426-L432 HydrophobicContact CB-CD2 3.73Å; L426-L432 HydrophobicContact CD1-CD2 4.35Å; L426-L432 HydrophobicContact CD2-CD2 3.83Å; L426-L432 HydrophobicContact CG-CD2 4.17Å; L426-F436 HydrophobicContact CD1-CD2 4.43Å; L426-F436 HydrophobicContact CD1-CE2 4.03Å; L426-F436 HydrophobicContact CD1-CZ 4.19Å; L426-F436 HydrophobicContact CD2-CE2 4.03Å; L426-V457 HydrophobicContact CD1-CB 3.95Å; L426-V457 HydrophobicContact CD1-CG1 3.95Å; L426-V457 HydrophobicContact CD1-CG2 3.97Å; L426-L459 HydrophobicContact CB-CD1 3.92Å; L426-L459 HydrophobicContact CB-CD2 3.91Å; L426-L459 HydrophobicContact CD1-CD2 4.49Å
427	R	89.4	Confident	94.1	Very high	147 Å²	147	50.1 Å²	50.1	56%	0.555	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-27	-172.4	-78.9	180	-176.4	167.2	6.3	116.1	P423 N424	P423-R427 PolarHBondContact O-N 2.7Å; N424-R427 VanDerWaalsContact OD1-CZ 3.27Å; N424-R427 PolarHBondContact OD1-NH1 3.01Å
428	H	87.1	Confident	93.9	Very high	154 Å²	154	53.2 Å²	53.2	71%	0.713	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	7	-174	-49.5	115.9	0	0	0	113.5	L377 L426	L377-H428 HydrophobicContact CD2-CB 4.14Å; L426-H428 PolarHBondContact O-N 3.3Å
429	S	92.2	Very high	93.5	Very high	15 Å²	15	54.1 Å²	54.1	11%	0.105	27%	0.267	C	S	.	.			trans	-84	131.7	-178.4	-179.1	0	0	0	0	111.9	L375 L426 E431	L375-S429 WeakPolarHBondContact O-CB 3.36Å; L375-S429 PolarHBondContact O-OG 3.08Å; L426-S429 PolarHBondContact O-N 3.34Å; L426-S429 VanDerWaalsContact O-N 3.1Å; S429-E431 VanDerWaalsContact C-N 3.29Å; S429-E431 PolarHBondContact OG-N 3.02Å; S429-E431 VanDerWaalsContact OG-N 3.13Å
430	S	87.4	Confident	93.1	Very high	98 Å²	98	60.1 Å²	60.1	69%	0.685	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-11.5	169.1	55.1	0	0	0	0	113.6
431	E	91.1	Very high	92.6	Very high	50 Å²	50	58.8 Å²	58.8	23%	0.234	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	11.1	-171.7	-63.7	-83.9	124.4	0	0	113.3	R376 S429 D433 R434 Y435	R376-E431 HydrophobicContact CB-CG 4.01Å; R376-E431 HydrophobicContact CG-CG 3.52Å; S429-E431 VanDerWaalsContact C-N 3.29Å; S429-E431 PolarHBondContact OG-N 3.02Å; S429-E431 VanDerWaalsContact OG-N 3.13Å; E431-D433 VanDerWaalsContact C-N 3.28Å; E431-D433 PolarHBondContact O-N 3.23Å; E431-R434 WeakPolarHBondContact O-CB 3.39Å; E431-R434 PolarHBondContact O-N 3.42Å; E431-R434 WeakPolarHBondContact OE2-CD 3.49Å; E431-R434 IonicContact OE2-CZ 3.47Å; E431-R434 IonicContact OE2-NE 2.72Å; E431-R434 IonicContact OE2-NH1 3.68Å; E431-R434 PolarHBondContact OE2-NH1 2.74Å; E431-Y435 HydrophobicContact CB-CD2 4.32Å; E431-Y435 HydrophobicContact CB-CE2 3.76Å; E431-Y435 WeakPolarHBondContact O-CD2 3.18Å
432	L	93.7	Very high	92	Very high	23 Å²	23	63.9 Å²	63.9	12%	0.12	31%	0.314	C	S	.	.	H	α-helix	trans	-52.9	-44.5	-176	-67.3	-176.8	0	0	0	112.9	L375 L426 R434 Y435 F436 L459	L375-L432 HydrophobicContact CD2-CD2 4.39Å; L426-L432 HydrophobicContact CB-CD2 3.73Å; L426-L432 HydrophobicContact CD1-CD2 4.35Å; L426-L432 HydrophobicContact CD2-CD2 3.83Å; L426-L432 HydrophobicContact CG-CD2 4.17Å; L432-R434 PolarHBondContact O-N 3.5Å; L432-R434 VanDerWaalsContact O-N 3.1Å; L432-Y435 PolarHBondContact O-N 2.83Å; L432-Y435 VanDerWaalsContact O-N 3.11Å; L432-F436 HydrophobicContact CD2-CD2 4.43Å; L432-F436 WeakPolarHBondContact O-CB 3.39Å; L432-F436 PolarHBondContact O-N 3.02Å; L432-L459 HydrophobicContact CD1-CD1 3.83Å
433	D	93.9	Very high	91.4	Very high	107 Å²	107	70.2 Å²	70.2	57%	0.572	34%	0.34	S	S	*	.	H	α-helix	trans	-60.3	-21.1	178.3	-83.3	-33.2	0	0	0	113.7	E431 R468	E431-D433 VanDerWaalsContact C-N 3.28Å; E431-D433 PolarHBondContact O-N 3.23Å; D433-R468 PolarHBondContact O-NE 2.97Å; D433-R468 PolarHBondContact O-NH2 2.98Å
434	R	94.9	Very high	90.8	Very high	97 Å²	97	71.1 Å²	71.1	37%	0.366	34%	0.342	S	S	.	.	H	α-helix	trans	-75.8	-31	178.5	-166.2	172.5	179.1	-159.5	-6.6	112.7	E407 E431 L432	E407-R434 IonicContact OE2-CZ 2.7Å; E407-R434 VanDerWaalsContact OE2-CZ 3.22Å; E407-R434 IonicContact OE2-NH1 2.68Å; E407-R434 PolarHBondContact OE2-NH1 3.1Å; E407-R434 IonicContact OE2-NH2 3.52Å; E407-R434 PolarHBondContact OE2-NH2 2.79Å; E431-R434 WeakPolarHBondContact O-CB 3.39Å; E431-R434 PolarHBondContact O-N 3.42Å; E431-R434 WeakPolarHBondContact OE2-CD 3.49Å; E431-R434 IonicContact OE2-CZ 3.47Å; E431-R434 IonicContact OE2-NE 2.72Å; E431-R434 IonicContact OE2-NH1 3.68Å; E431-R434 PolarHBondContact OE2-NH1 2.74Å; L432-R434 PolarHBondContact O-N 3.5Å; L432-R434 VanDerWaalsContact O-N 3.1Å
435	Y	96.6	Very high	90.5	Very high	5 Å²	5	72.6 Å²	72.6	2%	0.02	35%	0.345	C	S	.	.	H	α-helix	trans	-110.7	-22.6	-173.5	-52.9	-62.9	0	0	0	113.4	L374 L375 E407 A408 M411 E431 L432 R468	L374-Y435 VanDerWaalsContact O-CE2 3.27Å; L374-Y435 WeakPolarHBondContact O-CE2 3.14Å; L374-Y435 PolarHBondContact O-OH 3.26Å; L375-Y435 HydrophobicContact CD2-CD2 3.85Å; L375-Y435 HydrophobicContact CD2-CE2 4.13Å; E407-Y435 HydrophobicContact CB-CE1 4.49Å; E407-Y435 WeakPolarHBondContact O-CE1 3.42Å; A408-Y435 HydrophobicContact CB-CD1 4.25Å; A408-Y435 HydrophobicContact CB-CE1 4.29Å; M411-Y435 HydrophobicContact CB-CD1 3.64Å; M411-Y435 HydrophobicContact CB-CE1 4.02Å; M411-Y435 HydrophobicContact CB-CG 4.31Å; M411-Y435 HydrophobicContact CE-CD2 4.33Å; M411-Y435 HydrophobicContact CE-CE2 4.41Å; M411-Y435 HydrophobicContact CE-CG 4.41Å; M411-Y435 HydrophobicContact CG-CD1 3.94Å; M411-Y435 HydrophobicContact CG-CG 4.11Å; E431-Y435 HydrophobicContact CB-CD2 4.32Å; E431-Y435 HydrophobicContact CB-CE2 3.76Å; E431-Y435 WeakPolarHBondContact O-CD2 3.18Å; L432-Y435 PolarHBondContact O-N 2.83Å; L432-Y435 VanDerWaalsContact O-N 3.11Å; Y435-R468 VanDerWaalsContact O-CB 3.29Å; Y435-R468 WeakPolarHBondContact O-CB 3.42Å; Y435-R468 PolarHBondContact O-N 2.91Å
436	F	96.4	Very high	90.1	Very high	0 Å²	0	77.4 Å²	77.4	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	162.7	-175.3	-60.1	-81.5	0	0	0	112.2	M415 P421 L426 L432 Y465 L466 P467 R468	M415-F436 HydrophobicContact CE-CE1 4Å; M415-F436 HydrophobicContact CE-CZ 3.89Å; M415-F436 HydrophobicContact SD-CE1 3.83Å; M415-F436 HydrophobicContact SD-CZ 3.93Å; P421-F436 HydrophobicContact CG-CZ 3.79Å; L426-F436 HydrophobicContact CD1-CD2 4.43Å; L426-F436 HydrophobicContact CD1-CE2 4.03Å; L426-F436 HydrophobicContact CD1-CZ 4.19Å; L426-F436 HydrophobicContact CD2-CE2 4.03Å; L432-F436 HydrophobicContact CD2-CD2 4.43Å; L432-F436 WeakPolarHBondContact O-CB 3.39Å; L432-F436 PolarHBondContact O-N 3.02Å; F436-Y465 HydrophobicContact CB-CD1 4.03Å; F436-Y465 HydrophobicContact CB-CG 4.45Å; F436-L466 CarbonylContact C-O 3.45Å; F436-L466 VanDerWaalsContact CA-O 3.26Å; F436-L466 WeakPolarHBondContact CA-O 3.43Å; F436-P467 HydrophobicContact CE1-CG 4.39Å; F436-R468 VanDerWaalsContact O-CZ 3.25Å; F436-R468 PolarHBondContact O-NE 3.15Å; F436-R468 PolarHBondContact O-NH2 3.37Å
437	I	94.2	Very high	89.6	Confident	54 Å²	54	79.1 Å²	79.1	28%	0.277	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124	170	-60.1	167	0	0	0	107.2	F439 Y465 L466 R468	I437-F439 HydrophobicContact CB-CD2 4.34Å; I437-F439 HydrophobicContact CB-CE2 3.78Å; I437-F439 HydrophobicContact CG2-CD2 3.92Å; I437-F439 HydrophobicContact CG2-CE2 3.39Å; I437-F439 HydrophobicContact CG2-CZ 3.98Å; I437-F439 WeakPolarHBondContact O-CD2 3.27Å; I437-Y465 WeakPolarHBondContact O-CA 3.4Å; I437-L466 PolarHBondContact N-O 3.3Å; I437-L466 PolarHBondContact O-N 3Å; I437-R468 HydrophobicContact CD1-CB 4.41Å; I437-R468 HydrophobicContact CD1-CG 4.22Å; I437-R468 HydrophobicContact CG1-CB 3.96Å; I437-R468 HydrophobicContact CG1-CG 3.92Å
438	E	92.8	Very high	89.5	Confident	79 Å²	79	73 Å²	73	37%	0.369	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	131	170.8	-169.5	-168.2	115.5	0	0	110.8	K440 V463 Y465	E438-K440 WeakPolarHBondContact OE1-CE 3.45Å; E438-K440 IonicContact OE1-NZ 2.72Å; E438-V463 HydrophobicContact CG-CG1 3.43Å; E438-V463 VanDerWaalsContact CG-CG1 3.43Å; E438-Y465 HydrophobicContact CB-CD1 4.27Å; E438-Y465 HydrophobicContact CB-CE1 3.76Å; E438-Y465 HydrophobicContact CG-CE1 3.95Å
439	F	90.3	Very high	89.6	Confident	56 Å²	56	68.4 Å²	68.4	25%	0.246	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.7	166	-70.9	-102.3	0	0	0	111.1	I437 M452 V463 V464 L466	I437-F439 HydrophobicContact CB-CD2 4.34Å; I437-F439 HydrophobicContact CB-CE2 3.78Å; I437-F439 HydrophobicContact CG2-CD2 3.92Å; I437-F439 HydrophobicContact CG2-CE2 3.39Å; I437-F439 HydrophobicContact CG2-CZ 3.98Å; I437-F439 WeakPolarHBondContact O-CD2 3.27Å; F439-M452 HydrophobicContact CB-CE 3.25Å; F439-M452 HydrophobicContact CD1-CE 4.1Å; F439-M452 HydrophobicContact CD2-CE 4.46Å; F439-M452 HydrophobicContact CG-CE 3.73Å; F439-V463 WeakPolarHBondContact O-CA 3.25Å; F439-V464 PolarHBondContact N-O 3.35Å; F439-V464 PolarHBondContact O-N 3.31Å; F439-L466 HydrophobicContact CD2-CB 4.26Å; F439-L466 HydrophobicContact CD2-CD1 3.97Å; F439-L466 HydrophobicContact CD2-CG 4.08Å; F439-L466 HydrophobicContact CE2-CB 3.99Å; F439-L466 HydrophobicContact CE2-CD1 3.64Å; F439-L466 HydrophobicContact CE2-CG 4.06Å; F439-L466 HydrophobicContact CZ-CD1 4.08Å
440	K	89.6	Confident	89.4	Confident	129 Å²	129	74.2 Å²	74.2	56%	0.561	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	137.4	174.1	-55.7	-165.3	176.9	-168.6	0	110.1	E438 D442	E438-K440 WeakPolarHBondContact OE1-CE 3.45Å; E438-K440 IonicContact OE1-NZ 2.72Å; K440-D442 VanDerWaalsContact C-N 3.33Å
441	C	86.7	Confident	89.6	Confident	18 Å²	18	70.3 Å²	70.3	12%	0.122	35%	0.345	C	S	.	.			trans	-83.4	-13.2	-174.2	-62.3	0	0	0	0	113.2	K443 L444 L449 R458 D462	C441-K443 PolarHBondContact O-N 2.63Å; C441-K443 VanDerWaalsContact O-N 3.16Å; C441-L444 WeakPolarHBondContact O-CG 3.24Å; C441-L444 PolarHBondContact O-N 3.09Å; C441-L449 HydrophobicContact CB-CD1 3.66Å; C441-R458 PolarHBondContact SG-NH1 3.25Å; C441-D462 WeakPolarHBondContact CB-O 3.45Å; C441-D462 PolarHBondContact N-O 2.77Å; C441-D462 PolarHBondContact SG-O 3.41Å; C441-D462 VanDerWaalsContact SG-O 3.4Å
442	D	84.1	Confident	89.6	Confident	109 Å²	109	68 Å²	68	58%	0.583	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	118.4	178.3	-65.8	-33	0	0	0	111.6	K440 L444	K440-D442 VanDerWaalsContact C-N 3.33Å; D442-L444 VanDerWaalsContact C-N 3.32Å; D442-L444 PolarHBondContact O-N 2.66Å
443	K	81.5	Confident	89.5	Confident	212 Å²	212	70.2 Å²	70.2	92%	0.922	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	13.4	174.4	-43.8	163.7	-171.6	169.2	0	115.9	C441	C441-K443 PolarHBondContact O-N 2.63Å; C441-K443 VanDerWaalsContact O-N 3.16Å
444	L	82.5	Confident	89.4	Confident	59 Å²	59	73 Å²	73	31%	0.309	35%	0.353	S	S	.	.			trans	-66.8	147.8	171.3	-63	-177.8	0	0	0	111.9	C441 D442 T448 L449 M452	C441-L444 WeakPolarHBondContact O-CG 3.24Å; C441-L444 PolarHBondContact O-N 3.09Å; D442-L444 VanDerWaalsContact C-N 3.32Å; D442-L444 PolarHBondContact O-N 2.66Å; L444-T448 HydrophobicContact CB-CG2 4.49Å; L444-T448 HydrophobicContact CD1-CG2 4.4Å; L444-T448 HydrophobicContact CD2-CG2 4.16Å; L444-L449 HydrophobicContact CD1-CD1 4.22Å; L444-M452 HydrophobicContact CD1-CE 3.76Å; L444-M452 HydrophobicContact CD1-SD 3.51Å; L444-M452 VanDerWaalsContact CD1-SD 3.51Å
445	K	85.8	Confident	89.3	Confident	103 Å²	103	69.9 Å²	69.9	45%	0.448	34%	0.344	S	S	.	.			trans	-61.6	145.8	166.2	-74.8	-172.3	177.3	-175.3	0	109.3	S447 T448 L449 D478	K445-S447 VanDerWaalsContact C-N 3.3Å; K445-S447 PolarHBondContact O-N 3.45Å; K445-T448 WeakPolarHBondContact O-CA 3.48Å; K445-T448 WeakPolarHBondContact O-CB 3.31Å; K445-T448 PolarHBondContact O-N 3.5Å; K445-L449 PolarHBondContact O-N 3.14Å; K445-D478 IonicContact NZ-OD1 2.66Å; K445-D478 PolarHBondContact NZ-OD1 3.15Å
446	P	86.4	Confident	89.2	Confident	111 Å²	111	70 Å²	70	72%	0.721	35%	0.346	S	S	*	.	H	α-helix	trans	-52.9	-41.5	177.3	-29.2	36.2	0	0	0	114.5	T448 L449 E450	P446-T448 VanDerWaalsContact C-N 3.28Å; P446-T448 PolarHBondContact O-N 2.89Å; P446-L449 WeakPolarHBondContact O-CB 3.38Å; P446-L449 PolarHBondContact O-N 2.87Å; P446-E450 WeakPolarHBondContact O-CB 3.29Å; P446-E450 PolarHBondContact O-N 2.93Å
447	S	85.5	Confident	89.2	Confident	36 Å²	36	70.3 Å²	70.3	25%	0.252	35%	0.348	S	S	.	.	H	α-helix	trans	-67.8	-24.2	176	55.2	0	0	0	0	114.1	K445 F451	K445-S447 VanDerWaalsContact C-N 3.3Å; K445-S447 PolarHBondContact O-N 3.45Å; S447-F451 WeakPolarHBondContact O-CB 3.45Å; S447-F451 PolarHBondContact O-N 2.94Å
448	T	87.6	Confident	89.1	Confident	19 Å²	19	71 Å²	71	12%	0.117	35%	0.347	C	S	.	.	H	α-helix	trans	-78.1	-39.4	171.9	-54.2	0	0	0	0	110.7	L444 K445 P446 F451 M452 Y474 P481	L444-T448 HydrophobicContact CB-CG2 4.49Å; L444-T448 HydrophobicContact CD1-CG2 4.4Å; L444-T448 HydrophobicContact CD2-CG2 4.16Å; K445-T448 WeakPolarHBondContact O-CA 3.48Å; K445-T448 WeakPolarHBondContact O-CB 3.31Å; K445-T448 PolarHBondContact O-N 3.5Å; P446-T448 VanDerWaalsContact C-N 3.28Å; P446-T448 PolarHBondContact O-N 2.89Å; T448-F451 PolarHBondContact O-N 2.68Å; T448-M452 HydrophobicContact CG2-SD 3.89Å; T448-M452 WeakPolarHBondContact O-CB 3.48Å; T448-M452 VanDerWaalsContact O-CG 3.22Å; T448-M452 WeakPolarHBondContact O-CG 3.42Å; T448-M452 PolarHBondContact O-N 3.39Å; T448-Y474 HydrophobicContact CG2-CE1 4.35Å; T448-P481 HydrophobicContact CG2-CG 4.15Å
449	L	87.6	Confident	89	Confident	56 Å²	56	68.9 Å²	68.9	29%	0.293	34%	0.338	S	S	.	.	H	α-helix	trans	-63.5	-49.1	175.4	-167.8	68.2	0	0	0	111.2	C441 L444 K445 P446 F451 M452 D453 R458	C441-L449 HydrophobicContact CB-CD1 3.66Å; L444-L449 HydrophobicContact CD1-CD1 4.22Å; K445-L449 PolarHBondContact O-N 3.14Å; P446-L449 WeakPolarHBondContact O-CB 3.38Å; P446-L449 PolarHBondContact O-N 2.87Å; L449-F451 PolarHBondContact O-N 3.19Å; L449-M452 PolarHBondContact O-N 2.83Å; L449-D453 PolarHBondContact O-N 3.27Å; L449-R458 VanDerWaalsContact CD1-NH2 3.33Å
450	E	89.1	Confident	88.9	Confident	138 Å²	138	69.4 Å²	69.4	65%	0.645	35%	0.348	S	S	*	.	H	α-helix	trans	-58.9	-44.1	175.5	-173.5	-169.6	165.3	0	0	112	P446 M452 D453 K454	P446-E450 WeakPolarHBondContact O-CB 3.29Å; P446-E450 PolarHBondContact O-N 2.93Å; E450-M452 VanDerWaalsContact C-N 3.28Å; E450-M452 PolarHBondContact O-N 3.38Å; E450-D453 PolarHBondContact O-N 3.46Å; E450-K454 VanDerWaalsContact O-CB 3.28Å; E450-K454 WeakPolarHBondContact O-CB 3.41Å; E450-K454 PolarHBondContact O-N 2.68Å
451	F	92.2	Very high	88.7	Confident	16 Å²	16	73.7 Å²	73.7	7%	0.07	36%	0.361	C	S	.	.	H	α-helix	trans	-56.5	-44	172.7	164.4	-99.8	0	0	0	111.5	S447 T448 L449 K454 N455 L466 V472 P481 L483	S447-F451 WeakPolarHBondContact O-CB 3.45Å; S447-F451 PolarHBondContact O-N 2.94Å; T448-F451 PolarHBondContact O-N 2.68Å; L449-F451 PolarHBondContact O-N 3.19Å; F451-K454 PolarHBondContact O-N 3.19Å; F451-N455 VanDerWaalsContact CD2-ND2 3.3Å; F451-N455 WeakPolarHBondContact CD2-ND2 3.25Å; F451-N455 HydrophobicContact CE2-CB 4.1Å; F451-N455 WeakPolarHBondContact CE2-ND2 3.33Å; F451-N455 HydrophobicContact CZ-CB 4.2Å; F451-N455 VanDerWaalsContact O-CB 3.31Å; F451-N455 WeakPolarHBondContact O-CB 3.49Å; F451-N455 PolarHBondContact O-N 3.07Å; F451-N455 PolarHBondContact O-ND2 2.83Å; F451-L466 HydrophobicContact CE1-CD1 4.47Å; F451-V472 HydrophobicContact CE1-CG1 3.81Å; F451-V472 HydrophobicContact CE1-CG2 4.4Å; F451-V472 HydrophobicContact CZ-CG1 4.08Å; F451-P481 HydrophobicContact CB-CG 4.23Å; F451-P481 HydrophobicContact CD1-CB 3.58Å; F451-P481 HydrophobicContact CD1-CG 3.78Å; F451-P481 HydrophobicContact CD2-CB 4.26Å; F451-P481 WeakPolarHBondContact CD2-O 3.32Å; F451-P481 HydrophobicContact CE1-CB 3.77Å; F451-P481 HydrophobicContact CE1-CG 4.42Å; F451-P481 HydrophobicContact CE2-CB 4.41Å; F451-P481 VanDerWaalsContact CE2-O 3.3Å; F451-P481 WeakPolarHBondContact CE2-O 3.27Å; F451-P481 HydrophobicContact CG-CB 3.86Å; F451-P481 HydrophobicContact CG-CG 4.01Å; F451-P481 HydrophobicContact CZ-CB 4.19Å; F451-L483 HydrophobicContact CE2-CB 4.11Å; F451-L483 HydrophobicContact CZ-CB 3.97Å; F451-L483 HydrophobicContact CZ-CD1 4.41Å
452	M	90.9	Very high	88.9	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-72.2	-40.6	-176.9	-71.3	168.8	57.4	0	0	112.5	F439 L444 T448 L449 E450 K454 N455 G456 V464 L466	F439-M452 HydrophobicContact CB-CE 3.25Å; F439-M452 HydrophobicContact CD1-CE 4.1Å; F439-M452 HydrophobicContact CD2-CE 4.46Å; F439-M452 HydrophobicContact CG-CE 3.73Å; L444-M452 HydrophobicContact CD1-CE 3.76Å; L444-M452 HydrophobicContact CD1-SD 3.51Å; L444-M452 VanDerWaalsContact CD1-SD 3.51Å; T448-M452 HydrophobicContact CG2-SD 3.89Å; T448-M452 WeakPolarHBondContact O-CB 3.48Å; T448-M452 VanDerWaalsContact O-CG 3.22Å; T448-M452 WeakPolarHBondContact O-CG 3.42Å; T448-M452 PolarHBondContact O-N 3.39Å; L449-M452 PolarHBondContact O-N 2.83Å; E450-M452 VanDerWaalsContact C-N 3.28Å; E450-M452 PolarHBondContact O-N 3.38Å; M452-K454 VanDerWaalsContact C-N 3.26Å; M452-K454 PolarHBondContact O-N 2.96Å; M452-N455 PolarHBondContact O-N 3.02Å; M452-G456 WeakPolarHBondContact O-CA 3.49Å; M452-G456 PolarHBondContact O-N 2.8Å; M452-V464 HydrophobicContact CB-CG1 4.16Å; M452-V464 HydrophobicContact CE-CB 4.39Å; M452-V464 WeakPolarHBondContact O-CG1 3.41Å; M452-L466 HydrophobicContact CG-CD1 4.28Å
453	D	90.5	Very high	89.2	Confident	70 Å²	70	72.9 Å²	72.9	37%	0.374	36%	0.356	S	S	.	.	H	α-helix	trans	-63.4	-31.4	172.5	-79.3	-53.7	0	0	0	112.9	L449 E450 R458	L449-D453 PolarHBondContact O-N 3.27Å; E450-D453 PolarHBondContact O-N 3.46Å; D453-R458 IonicContact OD1-CZ 2.92Å; D453-R458 IonicContact OD1-NE 3.55Å; D453-R458 PolarHBondContact OD1-NE 3.05Å; D453-R458 IonicContact OD1-NH2 2.7Å; D453-R458 PolarHBondContact OD1-NH2 2.87Å; D453-R458 IonicContact OD2-CZ 2.74Å; D453-R458 IonicContact OD2-NE 3.2Å; D453-R458 IonicContact OD2-NH2 3.69Å; D453-R458 PolarHBondContact OD2-NH2 2.88Å
454	K	92.1	Very high	89.8	Confident	167 Å²	167	62.8 Å²	62.8	73%	0.726	31%	0.312	S	S	*	.	H	α-helix	trans	-79.2	-24.9	176.7	-176.2	171.3	-179.3	174.9	0	113.9	E450 F451 M452	E450-K454 VanDerWaalsContact O-CB 3.28Å; E450-K454 WeakPolarHBondContact O-CB 3.41Å; E450-K454 PolarHBondContact O-N 2.68Å; F451-K454 PolarHBondContact O-N 3.19Å; M452-K454 VanDerWaalsContact C-N 3.26Å; M452-K454 PolarHBondContact O-N 2.96Å
455	N	94.1	Very high	90.4	Very high	31 Å²	31	61.5 Å²	61.5	17%	0.166	30%	0.303	C	S	.	.	H	α-helix	trans	-120.2	5.5	-170.9	-67.5	-94.8	0	0	0	113.8	F451 M452 L466 P467 L483	F451-N455 VanDerWaalsContact CD2-ND2 3.3Å; F451-N455 WeakPolarHBondContact CD2-ND2 3.25Å; F451-N455 HydrophobicContact CE2-CB 4.1Å; F451-N455 WeakPolarHBondContact CE2-ND2 3.33Å; F451-N455 HydrophobicContact CZ-CB 4.2Å; F451-N455 VanDerWaalsContact O-CB 3.31Å; F451-N455 WeakPolarHBondContact O-CB 3.49Å; F451-N455 PolarHBondContact O-N 3.07Å; F451-N455 PolarHBondContact O-ND2 2.83Å; M452-N455 PolarHBondContact O-N 3.02Å; N455-L466 HydrophobicContact CB-CD2 4.21Å; N455-L466 WeakPolarHBondContact O-CD2 3.42Å; N455-P467 WeakPolarHBondContact O-CD 2.99Å; N455-L483 HydrophobicContact CB-CD2 4.22Å
456	G	94.5	Very high	90.8	Very high	7 Å²	7	56.7 Å²	56.7	7%	0.072	28%	0.282	C	S	.	.	S	Bend	trans	-147	179.1	-178.6	0	0	0	0	0	112.7	M452 Y465	M452-G456 WeakPolarHBondContact O-CA 3.49Å; M452-G456 PolarHBondContact O-N 2.8Å; G456-Y465 CarbonylContact C-O 3.52Å; G456-Y465 WeakPolarHBondContact CA-O 3.25Å
457	V	94.8	Very high	91.3	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	114.7	-176.4	-165.4	0	0	0	0	109.7	L420 P423 L426 L459 Y465	L420-V457 HydrophobicContact CB-CG2 3.94Å; L420-V457 HydrophobicContact CD1-CG2 4.46Å; L420-V457 HydrophobicContact CD2-CG2 4.36Å; L420-V457 HydrophobicContact CG-CG2 4.49Å; P423-V457 HydrophobicContact CB-CG1 4.02Å; P423-V457 HydrophobicContact CG-CG1 3.72Å; L426-V457 HydrophobicContact CD1-CB 3.95Å; L426-V457 HydrophobicContact CD1-CG1 3.95Å; L426-V457 HydrophobicContact CD1-CG2 3.97Å; V457-L459 HydrophobicContact CG1-CD2 3.76Å; V457-Y465 PolarHBondContact N-O 3.2Å; V457-Y465 PolarHBondContact O-N 3.07Å
458	R	93.4	Very high	91.8	Very high	68 Å²	68	55.2 Å²	55.2	26%	0.257	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	115.9	173.8	-172.8	175	-66.2	-79.7	-4.7	110	C441 L449 D453 C460 R461 V464	C441-R458 PolarHBondContact SG-NH1 3.25Å; L449-R458 VanDerWaalsContact CD1-NH2 3.33Å; D453-R458 IonicContact OD1-CZ 2.92Å; D453-R458 IonicContact OD1-NE 3.55Å; D453-R458 PolarHBondContact OD1-NE 3.05Å; D453-R458 IonicContact OD1-NH2 2.7Å; D453-R458 PolarHBondContact OD1-NH2 2.87Å; D453-R458 IonicContact OD2-CZ 2.74Å; D453-R458 IonicContact OD2-NE 3.2Å; D453-R458 IonicContact OD2-NH2 3.69Å; D453-R458 PolarHBondContact OD2-NH2 2.88Å; R458-C460 WeakPolarHBondContact CG-O 3.44Å; R458-R461 PolarHBondContact NH1-O 3.12Å; R458-V464 HydrophobicContact CB-CG2 4.06Å; R458-V464 HydrophobicContact CG-CG2 4.22Å; R458-V464 VanDerWaalsContact CZ-CG2 3.41Å; R458-V464 VanDerWaalsContact NH2-CG2 3.3Å
459	L	89.9	Confident	92.2	Very high	35 Å²	35	56.3 Å²	56.3	18%	0.183	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-30	179.7	-58.9	-172.8	0	0	0	113.3	P423 L426 L432 V457 Y465	P423-L459 HydrophobicContact CB-CD2 3.98Å; L426-L459 HydrophobicContact CB-CD1 3.92Å; L426-L459 HydrophobicContact CB-CD2 3.91Å; L426-L459 HydrophobicContact CD1-CD2 4.49Å; L432-L459 HydrophobicContact CD1-CD1 3.83Å; V457-L459 HydrophobicContact CG1-CD2 3.76Å; L459-Y465 HydrophobicContact CB-CD2 4.35Å; L459-Y465 HydrophobicContact CB-CE2 4.15Å; L459-Y465 HydrophobicContact CD1-CD2 3.7Å; L459-Y465 HydrophobicContact CD1-CE2 3.63Å; L459-Y465 HydrophobicContact CG-CD2 3.75Å; L459-Y465 HydrophobicContact CG-CE2 3.93Å
460	C	87.8	Confident	92.6	Very high	66 Å²	66	54 Å²	54	45%	0.446	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	179.1	172.4	76.1	0	0	0	0	110.3	R458 D462	R458-C460 WeakPolarHBondContact CG-O 3.44Å; C460-D462 VanDerWaalsContact C-N 3.26Å; C460-D462 PolarHBondContact O-N 2.82Å
461	R	86.6	Confident	92.8	Very high	219 Å²	219	50.9 Å²	50.9	83%	0.826	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-38.6	-174.5	-73.4	-177	178.1	158.6	1.2	113.3	R458	R458-R461 PolarHBondContact NH1-O 3.12Å
462	D	89.7	Confident	92.8	Very high	91 Å²	91	52 Å²	52	49%	0.487	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	4.7	-163.1	-43	-57.8	0	0	0	113.4	C441 C460	C441-D462 WeakPolarHBondContact CB-O 3.45Å; C441-D462 PolarHBondContact N-O 2.77Å; C441-D462 PolarHBondContact SG-O 3.41Å; C441-D462 VanDerWaalsContact SG-O 3.4Å; C460-D462 VanDerWaalsContact C-N 3.26Å; C460-D462 PolarHBondContact O-N 2.82Å
463	V	91.1	Very high	92.8	Very high	19 Å²	19	59.1 Å²	59.1	12%	0.115	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132	-174	-177.3	0	0	0	0	112.4	E438 F439 Y465	E438-V463 HydrophobicContact CG-CG1 3.43Å; E438-V463 VanDerWaalsContact CG-CG1 3.43Å; F439-V463 WeakPolarHBondContact O-CA 3.25Å; V463-Y465 HydrophobicContact CG1-CD2 4.17Å; V463-Y465 HydrophobicContact CG1-CE2 3.54Å
464	V	93.1	Very high	92.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.9	173.6	177.6	0	0	0	0	110.1	F439 M452 R458	F439-V464 PolarHBondContact N-O 3.35Å; F439-V464 PolarHBondContact O-N 3.31Å; M452-V464 HydrophobicContact CB-CG1 4.16Å; M452-V464 HydrophobicContact CE-CB 4.39Å; M452-V464 WeakPolarHBondContact O-CG1 3.41Å; R458-V464 HydrophobicContact CB-CG2 4.06Å; R458-V464 HydrophobicContact CG-CG2 4.22Å; R458-V464 VanDerWaalsContact CZ-CG2 3.41Å; R458-V464 VanDerWaalsContact NH2-CG2 3.3Å
465	Y	95.1	Very high	92.3	Very high	33 Å²	33	55.4 Å²	55.4	13%	0.129	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	114.2	178.7	-71.1	-89.9	0	0	0	110.6	F436 I437 E438 G456 V457 L459 V463	F436-Y465 HydrophobicContact CB-CD1 4.03Å; F436-Y465 HydrophobicContact CB-CG 4.45Å; I437-Y465 WeakPolarHBondContact O-CA 3.4Å; E438-Y465 HydrophobicContact CB-CD1 4.27Å; E438-Y465 HydrophobicContact CB-CE1 3.76Å; E438-Y465 HydrophobicContact CG-CE1 3.95Å; G456-Y465 CarbonylContact C-O 3.52Å; G456-Y465 WeakPolarHBondContact CA-O 3.25Å; V457-Y465 PolarHBondContact N-O 3.2Å; V457-Y465 PolarHBondContact O-N 3.07Å; L459-Y465 HydrophobicContact CB-CD2 4.35Å; L459-Y465 HydrophobicContact CB-CE2 4.15Å; L459-Y465 HydrophobicContact CD1-CD2 3.7Å; L459-Y465 HydrophobicContact CD1-CE2 3.63Å; L459-Y465 HydrophobicContact CG-CD2 3.75Å; L459-Y465 HydrophobicContact CG-CE2 3.93Å; V463-Y465 HydrophobicContact CG1-CD2 4.17Å; V463-Y465 HydrophobicContact CG1-CE2 3.54Å
466	L	95.6	Very high	91.7	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	146.4	174.6	-68.6	179.2	0	0	0	111.1	F436 I437 F439 F451 M452 N455 R468 V472	F436-L466 CarbonylContact C-O 3.45Å; F436-L466 VanDerWaalsContact CA-O 3.26Å; F436-L466 WeakPolarHBondContact CA-O 3.43Å; I437-L466 PolarHBondContact N-O 3.3Å; I437-L466 PolarHBondContact O-N 3Å; F439-L466 HydrophobicContact CD2-CB 4.26Å; F439-L466 HydrophobicContact CD2-CD1 3.97Å; F439-L466 HydrophobicContact CD2-CG 4.08Å; F439-L466 HydrophobicContact CE2-CB 3.99Å; F439-L466 HydrophobicContact CE2-CD1 3.64Å; F439-L466 HydrophobicContact CE2-CG 4.06Å; F439-L466 HydrophobicContact CZ-CD1 4.08Å; F451-L466 HydrophobicContact CE1-CD1 4.47Å; M452-L466 HydrophobicContact CG-CD1 4.28Å; N455-L466 HydrophobicContact CB-CD2 4.21Å; N455-L466 WeakPolarHBondContact O-CD2 3.42Å; L466-R468 PolarHBondContact O-N 3.1Å; L466-V472 HydrophobicContact CD1-CG2 3.76Å
467	P	97.2	Very high	91	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.013	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	121.8	177.9	-24.8	34.2	0	0	0	112.8	M415 L420 F436 N455 Y469 C470 P498	M415-P467 HydrophobicContact CE-CB 4.03Å; M415-P467 HydrophobicContact SD-CB 3.97Å; M415-P467 HydrophobicContact SD-CG 3.9Å; L420-P467 HydrophobicContact CD2-CG 3.53Å; F436-P467 HydrophobicContact CE1-CG 4.39Å; N455-P467 WeakPolarHBondContact O-CD 2.99Å; P467-Y469 HydrophobicContact CB-CD1 3.78Å; P467-Y469 HydrophobicContact CB-CE1 3.61Å; P467-Y469 PolarHBondContact O-N 3.19Å; P467-C470 PolarHBondContact O-N 3.2Å; P467-C470 VanDerWaalsContact O-N 3.11Å; P467-P498 HydrophobicContact CG-CG 3.85Å
468	R	96	Very high	90.2	Very high	114 Å²	114	69.3 Å²	69.3	43%	0.43	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-23	-174.7	-176.5	172.8	-68	-90.6	6	114	D433 Y435 F436 I437 L466 C470	D433-R468 PolarHBondContact O-NE 2.97Å; D433-R468 PolarHBondContact O-NH2 2.98Å; Y435-R468 VanDerWaalsContact O-CB 3.29Å; Y435-R468 WeakPolarHBondContact O-CB 3.42Å; Y435-R468 PolarHBondContact O-N 2.91Å; F436-R468 VanDerWaalsContact O-CZ 3.25Å; F436-R468 PolarHBondContact O-NE 3.15Å; F436-R468 PolarHBondContact O-NH2 3.37Å; I437-R468 HydrophobicContact CD1-CB 4.41Å; I437-R468 HydrophobicContact CD1-CG 4.22Å; I437-R468 HydrophobicContact CG1-CB 3.96Å; I437-R468 HydrophobicContact CG1-CG 3.92Å; L466-R468 PolarHBondContact O-N 3.1Å; R468-C470 VanDerWaalsContact C-N 3.33Å
469	Y	96.1	Very high	89.6	Confident	41 Å²	41	71 Å²	71	16%	0.161	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-22.5	177.9	79	-91.5	0	0	0	112.9	A412 M415 P467 G486 R495 G496 P498	A412-Y469 HydrophobicContact CB-CD1 3.57Å; A412-Y469 HydrophobicContact CB-CD2 3.84Å; A412-Y469 HydrophobicContact CB-CE1 3.95Å; A412-Y469 HydrophobicContact CB-CE2 4.2Å; A412-Y469 HydrophobicContact CB-CG 3.51Å; M415-Y469 HydrophobicContact CB-CE1 4.06Å; M415-Y469 HydrophobicContact CE-CD1 3.94Å; M415-Y469 HydrophobicContact CE-CE1 3.73Å; M415-Y469 HydrophobicContact SD-CE1 4.13Å; P467-Y469 HydrophobicContact CB-CD1 3.78Å; P467-Y469 HydrophobicContact CB-CE1 3.61Å; P467-Y469 PolarHBondContact O-N 3.19Å; Y469-G486 WeakPolarHBondContact O-CA 3.46Å; Y469-R495 HydrophobicContact CD2-CB 3.92Å; Y469-R495 HydrophobicContact CE2-CB 3.9Å; Y469-G496 VanDerWaalsContact CE2-O 3.32Å; Y469-G496 WeakPolarHBondContact CE2-O 3.42Å; Y469-G496 PolarHBondContact OH-O 3.16Å; Y469-P498 WeakPolarHBondContact OH-CD 3.35Å
470	C	96.1	Very high	89.3	Confident	9 Å²	9	72.8 Å²	72.8	6%	0.061	37%	0.372	C	S	.	.	S	Bend	trans	-86.3	151.8	178.4	-72.1	0	0	0	0	111.5	P467 R468 L483 L484	P467-C470 PolarHBondContact O-N 3.2Å; P467-C470 VanDerWaalsContact O-N 3.11Å; R468-C470 VanDerWaalsContact C-N 3.33Å; C470-L483 HydrophobicContact CB-CD1 3.48Å; C470-L483 VanDerWaalsContact CB-CD1 3.48Å; C470-L483 HydrophobicContact CB-CD2 4.02Å; C470-L483 HydrophobicContact CB-CG 3.66Å; C470-L484 WeakPolarHBondContact CA-O 3.35Å; C470-L484 WeakPolarHBondContact CB-O 3.38Å
471	S	93.1	Very high	89.3	Confident	72 Å²	72	70 Å²	70	50%	0.503	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	145.7	168.8	-66.3	0	0	0	0	110.6	L484	S471-L484 PolarHBondContact N-O 2.7Å; S471-L484 VanDerWaalsContact N-O 3.09Å; S471-L484 WeakPolarHBondContact O-CB 3.33Å; S471-L484 PolarHBondContact O-N 3.35Å
472	V	91.8	Very high	89.5	Confident	40 Å²	40	64.5 Å²	64.5	24%	0.242	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.2	171.8	-174.1	0	0	0	0	109.5	F451 L466 Y474 P481 L483	F451-V472 HydrophobicContact CE1-CG1 3.81Å; F451-V472 HydrophobicContact CE1-CG2 4.4Å; F451-V472 HydrophobicContact CZ-CG1 4.08Å; L466-V472 HydrophobicContact CD1-CG2 3.76Å; V472-Y474 HydrophobicContact CB-CE2 3.97Å; V472-Y474 HydrophobicContact CG1-CD2 4.15Å; V472-Y474 HydrophobicContact CG1-CE1 4.1Å; V472-Y474 HydrophobicContact CG1-CE2 3.59Å; V472-P481 HydrophobicContact CG1-CB 3.95Å; V472-L483 HydrophobicContact CG2-CD1 4.02Å
473	R	91.4	Very high	89.7	Confident	148 Å²	148	60.9 Å²	60.9	56%	0.558	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	126	167	-179.8	177.7	-64.7	-152.1	2.9	109	P475 P481 Q482 L484	R473-P475 VanDerWaalsContact O-CD 3.3Å; R473-P475 WeakPolarHBondContact O-CD 3.44Å; R473-P481 CarbonylContact O-C 3.6Å; R473-P481 WeakPolarHBondContact O-CA 3.29Å; R473-Q482 PolarHBondContact N-O 3.47Å; R473-Q482 PolarHBondContact O-N 3.43Å; R473-L484 HydrophobicContact CB-CD1 3.86Å; R473-L484 HydrophobicContact CB-CG 4.25Å
474	Y	87.5	Confident	89.9	Confident	122 Å²	122	62.4 Å²	62.4	48%	0.478	33%	0.325	S	S	.	.			trans	-97.6	103.4	167.2	-61.4	-87.8	0	0	0	107.4	T448 V472 P481	T448-Y474 HydrophobicContact CG2-CE1 4.35Å; V472-Y474 HydrophobicContact CB-CE2 3.97Å; V472-Y474 HydrophobicContact CG1-CD2 4.15Å; V472-Y474 HydrophobicContact CG1-CE1 4.1Å; V472-Y474 HydrophobicContact CG1-CE2 3.59Å; Y474-P481 HydrophobicContact CD1-CB 3.94Å; Y474-P481 HydrophobicContact CD1-CG 3.84Å; Y474-P481 HydrophobicContact CE1-CB 4.03Å; Y474-P481 HydrophobicContact CE1-CG 3.87Å
475	P	83.8	Confident	89.9	Confident	37 Å²	37	65.6 Å²	65.6	24%	0.24	35%	0.346	C	S	.	.			trans	-71.4	155.9	172.9	30.8	-34.7	0	0	0	111	R473 N479 P480	R473-P475 VanDerWaalsContact O-CD 3.3Å; R473-P475 WeakPolarHBondContact O-CD 3.44Å; P475-N479 HydrophobicContact CB-CB 4.01Å; P475-N479 HydrophobicContact CG-CB 3.5Å; P475-P480 WeakPolarHBondContact CG-O 3.39Å
476	D	82	Confident	89.8	Confident	151 Å²	151	64.3 Å²	64.3	81%	0.807	34%	0.342	S	S	*	.	S	Bend	trans	-67.2	151.7	176.6	-61.9	-65.3	0	0	0	112.8	N479	D476-N479 PolarHBondContact O-ND2 3.18Å
477	G	79.7	Confident	89.6	Confident	59 Å²	59	70.4 Å²	70.4	61%	0.608	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	-140.6	-179.7	0	0	0	0	0	114
478	D	77.5	Confident	89.3	Confident	127 Å²	127	70.6 Å²	70.6	68%	0.679	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	12.4	178.2	-70	-54.3	0	0	0	113.2	K445	K445-D478 IonicContact NZ-OD1 2.66Å; K445-D478 PolarHBondContact NZ-OD1 3.15Å
479	N	81.2	Confident	88.9	Confident	104 Å²	104	72.6 Å²	72.6	56%	0.556	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-58.9	137.3	170.2	-69.7	-64.7	0	0	0	110.1	P475 D476	P475-N479 HydrophobicContact CB-CB 4.01Å; P475-N479 HydrophobicContact CG-CB 3.5Å; D476-N479 PolarHBondContact O-ND2 3.18Å
480	P	82.4	Confident	88	Confident	72 Å²	72	78 Å²	78	47%	0.468	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-64.9	150.2	176.8	28.1	-34.5	0	0	0	110.7	P475	P475-P480 WeakPolarHBondContact CG-O 3.39Å
481	P	89.3	Confident	86.9	Confident	8 Å²	8	79.6 Å²	79.6	5%	0.052	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-59.5	160.4	172.2	-14.3	25.9	0	0	0	111.8	T448 F451 V472 R473 Y474	T448-P481 HydrophobicContact CG2-CG 4.15Å; F451-P481 HydrophobicContact CB-CG 4.23Å; F451-P481 HydrophobicContact CD1-CB 3.58Å; F451-P481 HydrophobicContact CD1-CG 3.78Å; F451-P481 HydrophobicContact CD2-CB 4.26Å; F451-P481 WeakPolarHBondContact CD2-O 3.32Å; F451-P481 HydrophobicContact CE1-CB 3.77Å; F451-P481 HydrophobicContact CE1-CG 4.42Å; F451-P481 HydrophobicContact CE2-CB 4.41Å; F451-P481 VanDerWaalsContact CE2-O 3.3Å; F451-P481 WeakPolarHBondContact CE2-O 3.27Å; F451-P481 HydrophobicContact CG-CB 3.86Å; F451-P481 HydrophobicContact CG-CG 4.01Å; F451-P481 HydrophobicContact CZ-CB 4.19Å; V472-P481 HydrophobicContact CG1-CB 3.95Å; R473-P481 CarbonylContact O-C 3.6Å; R473-P481 WeakPolarHBondContact O-CA 3.29Å; Y474-P481 HydrophobicContact CD1-CB 3.94Å; Y474-P481 HydrophobicContact CD1-CG 3.84Å; Y474-P481 HydrophobicContact CE1-CB 4.03Å; Y474-P481 HydrophobicContact CE1-CG 3.87Å
482	Q	90.8	Very high	86.4	Confident	104 Å²	104	78.2 Å²	78.2	49%	0.486	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.8	-179.3	-64.7	179.9	-3.2	0	0	110.2	R473	R473-Q482 PolarHBondContact N-O 3.47Å; R473-Q482 PolarHBondContact O-N 3.43Å
483	L	93.9	Very high	86.2	Confident	15 Å²	15	78.9 Å²	78.9	8%	0.079	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.9	170.2	-161.4	68.8	0	0	0	108.5	F451 N455 C470 V472 I497 P498	F451-L483 HydrophobicContact CE2-CB 4.11Å; F451-L483 HydrophobicContact CZ-CB 3.97Å; F451-L483 HydrophobicContact CZ-CD1 4.41Å; N455-L483 HydrophobicContact CB-CD2 4.22Å; C470-L483 HydrophobicContact CB-CD1 3.48Å; C470-L483 VanDerWaalsContact CB-CD1 3.48Å; C470-L483 HydrophobicContact CB-CD2 4.02Å; C470-L483 HydrophobicContact CB-CG 3.66Å; V472-L483 HydrophobicContact CG2-CD1 4.02Å; L483-I497 HydrophobicContact CB-CG2 4.15Å; L483-I497 HydrophobicContact CD2-CB 4.11Å; L483-I497 HydrophobicContact CD2-CG2 4.09Å; L483-I497 HydrophobicContact CG-CG2 3.96Å; L483-P498 HydrophobicContact CD2-CG 4.45Å
484	L	94.2	Very high	86.2	Confident	51 Å²	51	76.3 Å²	76.3	27%	0.267	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144.4	-177.3	-61.9	-177	0	0	0	111.2	C470 S471 R473	C470-L484 WeakPolarHBondContact CA-O 3.35Å; C470-L484 WeakPolarHBondContact CB-O 3.38Å; S471-L484 PolarHBondContact N-O 2.7Å; S471-L484 VanDerWaalsContact N-O 3.09Å; S471-L484 WeakPolarHBondContact O-CB 3.33Å; S471-L484 PolarHBondContact O-N 3.35Å; R473-L484 HydrophobicContact CB-CD1 3.86Å; R473-L484 HydrophobicContact CB-CG 4.25Å
485	P	93.8	Very high	86.5	Confident	67 Å²	67	71.2 Å²	71.2	44%	0.435	40%	0.404	S	S	.	.			trans	-49.8	147.3	174.4	-30.4	37.1	0	0	0	114.4	V494 R495 I497	P485-V494 HydrophobicContact CB-CG1 3.71Å; P485-R495 CarbonylContact C-O 3.59Å; P485-R495 VanDerWaalsContact CA-O 3.22Å; P485-R495 WeakPolarHBondContact CA-O 3.46Å; P485-R495 VanDerWaalsContact CB-O 3.28Å; P485-R495 WeakPolarHBondContact CB-O 3.36Å; P485-I497 HydrophobicContact CG-CG2 4.48Å
486	G	92.8	Very high	87	Confident	5 Å²	5	69.9 Å²	69.9	5%	0.052	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	173.4	173.4	0	0	0	0	0	113.6	Y469 V494 R495	Y469-G486 WeakPolarHBondContact O-CA 3.46Å; G486-V494 WeakPolarHBondContact O-CA 3.44Å; G486-R495 PolarHBondContact N-O 2.86Å; G486-R495 PolarHBondContact O-N 3.48Å
487	L	91.1	Very high	87.7	Confident	130 Å²	130	65.1 Å²	65.1	68%	0.681	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	137	167.2	-63	178.1	0	0	0	109.6	H493 V494	L487-H493 CarbonylContact C-O 3.57Å; L487-H493 WeakPolarHBondContact CA-O 3.38Å; L487-V494 HydrophobicContact CD2-CG2 3.82Å
488	S	91.3	Very high	88.6	Confident	7 Å²	7	63.3 Å²	63.3	5%	0.049	35%	0.348	C	S	.	.			trans	-68.5	151.4	170	74.9	0	0	0	0	111.5	E405 D409 G492 H493	E405-S488 VanDerWaalsContact CD-CB 3.41Å; E405-S488 VanDerWaalsContact OE1-CB 3.27Å; E405-S488 WeakPolarHBondContact OE1-CB 3.38Å; E405-S488 PolarHBondContact OE1-OG 2.73Å; E405-S488 WeakPolarHBondContact OE2-CB 3.28Å; E405-S488 PolarHBondContact OE2-OG 3.15Å; D409-S488 VanDerWaalsContact OD1-CB 3.32Å; D409-S488 WeakPolarHBondContact OD1-CB 3.32Å; S488-G492 WeakPolarHBondContact O-CA 3.01Å; S488-G492 PolarHBondContact O-N 2.99Å; S488-G492 PolarHBondContact OG-N 3.33Å; S488-H493 PolarHBondContact N-O 3.36Å; S488-H493 WeakPolarHBondContact OG-CB 3.23Å; S488-H493 PolarHBondContact OG-N 2.69Å
489	K	86.3	Confident	89.5	Confident	155 Å²	155	60.9 Å²	60.9	67%	0.674	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-34.8	-167.4	-62.3	176.3	-165.5	148.6	0	114.7	E405 D406	E405-K489 PolarHBondContact OE2-N 3.44Å; D406-K489 IonicContact OD1-NZ 3.65Å; D406-K489 WeakPolarHBondContact OD2-CD 3.49Å; D406-K489 WeakPolarHBondContact OD2-CE 3.49Å; D406-K489 IonicContact OD2-NZ 3.74Å; D406-K489 PolarHBondContact OD2-NZ 3.26Å
490	R	78.5	Confident	90.1	Very high	154 Å²	154	58.5 Å²	58.5	58%	0.581	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-40.8	-175.1	-73.6	-177.7	-87.7	-160.5	-9.4	111.9	E405 E1332	E405-R490 PolarHBondContact O-NH2 3.09Å; E405-R490 WeakPolarHBondContact OE2-CA 3.34Å; E405-R490 WeakPolarHBondContact OE2-CB 3.34Å; E405-R490 PolarHBondContact OE2-N 2.86Å; R490-E1332 IonicContact CZ-OE2 2.79Å; R490-E1332 VanDerWaalsContact CZ-OE2 3.22Å; R490-E1332 IonicContact NH1-OE2 2.98Å; R490-E1332 PolarHBondContact NH1-OE2 3.37Å; R490-E1332 IonicContact NH2-OE1 2.7Å; R490-E1332 IonicContact NH2-OE2 3.81Å; R490-E1332 PolarHBondContact NH2-OE2 3.22Å
491	G	72.7	Confident	90.7	Very high	43 Å²	43	56.2 Å²	56.2	44%	0.443	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-17.3	-178.5	0	0	0	0	0	115.3	E405 H493	E405-G491 VanDerWaalsContact CD-N 3.31Å; E405-G491 VanDerWaalsContact OE1-CA 3.26Å; E405-G491 WeakPolarHBondContact OE1-CA 3.21Å; E405-G491 PolarHBondContact OE1-N 2.82Å; E405-G491 PolarHBondContact OE2-N 2.96Å; G491-H493 PolarHBondContact O-N 3.48Å
492	G	82.8	Confident	90.9	Very high	43 Å²	43	59.2 Å²	59.2	44%	0.443	34%	0.336	S	S	.	.			trans	64.2	22.4	-171.5	0	0	0	0	0	113.2	S488	S488-G492 WeakPolarHBondContact O-CA 3.01Å; S488-G492 PolarHBondContact O-N 2.99Å; S488-G492 PolarHBondContact OG-N 3.33Å
493	H	87.5	Confident	91.1	Very high	54 Å²	54	55 Å²	55	25%	0.25	32%	0.317	C	S	.	.			trans	-68.1	130.3	178.4	-61.5	111.9	0	0	0	109.6	E405 L487 S488 G491 R495 R514 Y515	E405-H493 IonicContact OE1-CE1 3.09Å; E405-H493 IonicContact OE1-CG 4Å; E405-H493 IonicContact OE1-ND1 3.98Å; E405-H493 PolarHBondContact OE1-ND1 2.97Å; L487-H493 CarbonylContact C-O 3.57Å; L487-H493 WeakPolarHBondContact CA-O 3.38Å; S488-H493 PolarHBondContact N-O 3.36Å; S488-H493 WeakPolarHBondContact OG-CB 3.23Å; S488-H493 PolarHBondContact OG-N 2.69Å; G491-H493 PolarHBondContact O-N 3.48Å; H493-R495 PolarHBondContact O-N 2.89Å; H493-R514 PolarHBondContact CD2-O 3.24Å; H493-Y515 AromaticContact NE2-CD1 3.89Å; H493-Y515 AromaticContact NE2-CE1 3.87Å
494	V	92	Very high	91	Very high	95 Å²	95	57.6 Å²	57.6	58%	0.576	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	126.7	175.2	-177.4	0	0	0	0	109.1	P485 G486 L487	P485-V494 HydrophobicContact CB-CG1 3.71Å; G486-V494 WeakPolarHBondContact O-CA 3.44Å; L487-V494 HydrophobicContact CD2-CG2 3.82Å
495	R	94	Very high	90.9	Very high	15 Å²	15	57.2 Å²	57.2	6%	0.057	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	111.1	169.8	-56.4	-55.8	-175.3	-172.9	1.9	108.3	P403 D409 A412 C413 Y469 P485 G486 H493	P403-R495 PolarHBondContact O-NH2 3.46Å; D409-R495 IonicContact OD1-CZ 3.91Å; D409-R495 IonicContact OD1-NE 3.56Å; D409-R495 PolarHBondContact OD1-NE 2.99Å; D409-R495 IonicContact OD1-NH2 2.66Å; D409-R495 IonicContact OD2-CZ 2.73Å; D409-R495 IonicContact OD2-NE 3.14Å; D409-R495 IonicContact OD2-NH2 3.15Å; D409-R495 PolarHBondContact OD2-NH2 3.19Å; A412-R495 HydrophobicContact CB-CB 4.43Å; A412-R495 HydrophobicContact CB-CG 4.25Å; C413-R495 PolarHBondContact SG-NH1 3.4Å; C413-R495 VanDerWaalsContact SG-NH1 3.35Å; C413-R495 PolarHBondContact SG-NH2 3.31Å; C413-R495 VanDerWaalsContact SG-NH2 3.43Å; Y469-R495 HydrophobicContact CD2-CB 3.92Å; Y469-R495 HydrophobicContact CE2-CB 3.9Å; P485-R495 CarbonylContact C-O 3.59Å; P485-R495 VanDerWaalsContact CA-O 3.22Å; P485-R495 WeakPolarHBondContact CA-O 3.46Å; P485-R495 VanDerWaalsContact CB-O 3.28Å; P485-R495 WeakPolarHBondContact CB-O 3.36Å; G486-R495 PolarHBondContact N-O 2.86Å; G486-R495 PolarHBondContact O-N 3.48Å; H493-R495 PolarHBondContact O-N 2.89Å
496	G	94.2	Very high	90.8	Very high	8 Å²	8	54.1 Å²	54.1	8%	0.082	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-59.2	160.8	175.8	0	0	0	0	0	112.4	E416 Y469 S500	E416-G496 VanDerWaalsContact CD-N 3.29Å; E416-G496 WeakPolarHBondContact OE1-CA 3.47Å; E416-G496 PolarHBondContact OE1-N 3.4Å; Y469-G496 VanDerWaalsContact CE2-O 3.32Å; Y469-G496 WeakPolarHBondContact CE2-O 3.42Å; Y469-G496 PolarHBondContact OH-O 3.16Å; G496-S500 VanDerWaalsContact C-OG 3.25Å; G496-S500 VanDerWaalsContact CA-OG 3.31Å; G496-S500 WeakPolarHBondContact CA-OG 3.22Å
497	I	96.3	Very high	90.7	Very high	51 Å²	51	54 Å²	54	26%	0.262	31%	0.305	S	S	.	.	S	Bend	trans	-61.8	164.8	176.3	65	175	0	0	0	111.4	L483 P485 S499 S500	L483-I497 HydrophobicContact CB-CG2 4.15Å; L483-I497 HydrophobicContact CD2-CB 4.11Å; L483-I497 HydrophobicContact CD2-CG2 4.09Å; L483-I497 HydrophobicContact CG-CG2 3.96Å; P485-I497 HydrophobicContact CG-CG2 4.48Å; I497-S499 PolarHBondContact O-N 2.93Å; I497-S500 PolarHBondContact N-OG 3.08Å; I497-S500 VanDerWaalsContact N-OG 3.15Å; I497-S500 WeakPolarHBondContact O-CB 3.42Å; I497-S500 PolarHBondContact O-N 3.21Å; I497-S500 PolarHBondContact O-OG 2.93Å
498	P	97.4	Very high	90.3	Very high	22 Å²	22	51.2 Å²	51.2	14%	0.143	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	139.1	-178.7	-26	34.4	0	0	0	113.3	M415 L420 P467 Y469 L483 S500	M415-P498 HydrophobicContact CB-CG 4.49Å; M415-P498 VanDerWaalsContact O-CA 3.23Å; M415-P498 WeakPolarHBondContact O-CA 3.2Å; L420-P498 HydrophobicContact CD2-CB 4.18Å; L420-P498 HydrophobicContact CD2-CG 3.81Å; L420-P498 HydrophobicContact CG-CB 4.15Å; L420-P498 HydrophobicContact CG-CG 4.3Å; P467-P498 HydrophobicContact CG-CG 3.85Å; Y469-P498 WeakPolarHBondContact OH-CD 3.35Å; L483-P498 HydrophobicContact CD2-CG 4.45Å; P498-S500 PolarHBondContact O-N 3.13Å
499	S	96.4	Very high	89.3	Confident	76 Å²	76	54.7 Å²	54.7	53%	0.531	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	11.7	-174.9	-52.1	0	0	0	0	116.5	M415 E416 G419 I497 L501	M415-S499 PolarHBondContact O-N 3.16Å; E416-S499 CarbonylContact O-C 3.59Å; E416-S499 WeakPolarHBondContact O-CA 3.23Å; E416-S499 PolarHBondContact O-N 3.02Å; G419-S499 WeakPolarHBondContact CA-OG 3.36Å; G419-S499 PolarHBondContact N-OG 2.83Å; I497-S499 PolarHBondContact O-N 2.93Å; S499-L501 VanDerWaalsContact C-N 3.32Å; S499-L501 PolarHBondContact O-N 3.36Å
500	S	95.5	Very high	87.8	Confident	54 Å²	54	48.2 Å²	48.2	38%	0.378	28%	0.283	S	S	.	.			trans	-79.2	-8.5	-178.4	65.9	0	0	0	0	115.3	E416 G496 I497 P498	E416-S500 PolarHBondContact O-N 3.14Å; E416-S500 VanDerWaalsContact O-N 3.07Å; G496-S500 VanDerWaalsContact C-OG 3.25Å; G496-S500 VanDerWaalsContact CA-OG 3.31Å; G496-S500 WeakPolarHBondContact CA-OG 3.22Å; I497-S500 PolarHBondContact N-OG 3.08Å; I497-S500 VanDerWaalsContact N-OG 3.15Å; I497-S500 WeakPolarHBondContact O-CB 3.42Å; I497-S500 PolarHBondContact O-N 3.21Å; I497-S500 PolarHBondContact O-OG 2.93Å; P498-S500 PolarHBondContact O-N 3.13Å
501	L	94.2	Very high	86.6	Confident	23 Å²	23	48 Å²	48	12%	0.12	28%	0.282	C	S	.	.	S	Bend	trans	-120.1	92.8	172.1	-178.1	61	0	0	0	110.6	E416 V417 S499 Q505 A506	E416-L501 HydrophobicContact CG-CB 3.94Å; E416-L501 PolarHBondContact O-N 3.01Å; V417-L501 WeakPolarHBondContact CA-O 3.48Å; V417-L501 HydrophobicContact CG2-CB 4.3Å; V417-L501 HydrophobicContact CG2-CD2 4.1Å; V417-L501 HydrophobicContact CG2-CG 4.33Å; S499-L501 VanDerWaalsContact C-N 3.32Å; S499-L501 PolarHBondContact O-N 3.36Å; L501-Q505 HydrophobicContact CD1-CB 4.03Å; L501-Q505 HydrophobicContact CD1-CG 3.85Å; L501-A506 HydrophobicContact CD2-CB 4.08Å; L501-A506 HydrophobicContact CG-CB 4.1Å
502	P	94.2	Very high	85.2	Confident	72 Å²	72	49.9 Å²	49.9	47%	0.468	28%	0.282	S	S	.	.			trans	-52.1	141.1	179.1	-28.4	35.4	0	0	0	113.1	L504 Q505 A506	P502-L504 VanDerWaalsContact C-N 3.32Å; P502-L504 PolarHBondContact O-N 3.09Å; P502-Q505 HydrophobicContact CB-CB 4.38Å; P502-Q505 CarbonylContact O-C 3.5Å; P502-Q505 WeakPolarHBondContact O-CA 3.49Å; P502-Q505 VanDerWaalsContact O-CB 3.25Å; P502-Q505 WeakPolarHBondContact O-CB 3.3Å; P502-Q505 PolarHBondContact O-N 3.48Å; P502-A506 PolarHBondContact O-N 3.06Å
503	L	94.1	Very high	83.3	Confident	16 Å²	16	54.8 Å²	54.8	8%	0.084	29%	0.287	C	S	.	.	H	α-helix	trans	-56	-40.8	-173	-177.6	57	0	0	0	113.5	L401 V417 Q505 A506 I507 V551 L554 L558	L401-L503 HydrophobicContact CD1-CD1 4.39Å; L401-L503 HydrophobicContact CD2-CD1 4.25Å; V417-L503 HydrophobicContact CG1-CB 4.14Å; V417-L503 HydrophobicContact CG1-CD1 3.82Å; L503-Q505 VanDerWaalsContact C-N 3.27Å; L503-Q505 PolarHBondContact O-N 2.71Å; L503-A506 WeakPolarHBondContact O-CB 3.42Å; L503-A506 PolarHBondContact O-N 3.04Å; L503-A506 VanDerWaalsContact O-N 3.16Å; L503-I507 HydrophobicContact CD1-CG2 4.42Å; L503-I507 PolarHBondContact O-N 3.49Å; L503-I507 VanDerWaalsContact O-N 3.16Å; L503-V551 HydrophobicContact CD2-CG1 4.4Å; L503-L554 HydrophobicContact CD2-CB 3.87Å; L503-L558 HydrophobicContact CD1-CD1 4.49Å
504	L	92.9	Very high	81.3	Confident	69 Å²	69	54.7 Å²	54.7	36%	0.361	28%	0.284	S	S	.	.	H	α-helix	trans	-58.9	-38.6	173	-176.9	56.2	0	0	0	112.2	P502 I507 T508 N547 V551	P502-L504 VanDerWaalsContact C-N 3.32Å; P502-L504 PolarHBondContact O-N 3.09Å; L504-I507 HydrophobicContact CD1-CD1 4.39Å; L504-I507 HydrophobicContact CD1-CG1 4.47Å; L504-I507 WeakPolarHBondContact O-CG1 3.46Å; L504-T508 HydrophobicContact CD1-CG2 4.07Å; L504-T508 WeakPolarHBondContact O-CB 3.38Å; L504-T508 VanDerWaalsContact O-CG2 3.3Å; L504-T508 WeakPolarHBondContact O-CG2 3.21Å; L504-T508 PolarHBondContact O-N 3.23Å; L504-T508 PolarHBondContact O-OG1 3.26Å; L504-N547 HydrophobicContact CD1-CB 3.89Å; L504-V551 HydrophobicContact CB-CG2 3.84Å; L504-V551 HydrophobicContact CD1-CG2 3.88Å; L504-V551 HydrophobicContact CG-CG2 4.39Å
505	Q	91.8	Very high	79	Confident	43 Å²	43	58.5 Å²	58.5	20%	0.201	29%	0.29	C	S	.	.	H	α-helix	trans	-71.5	-36.8	176.8	-166.2	175.4	1.3	0	0	111.6	L501 P502 L503 I507 T508 Q509	L501-Q505 HydrophobicContact CD1-CB 4.03Å; L501-Q505 HydrophobicContact CD1-CG 3.85Å; P502-Q505 HydrophobicContact CB-CB 4.38Å; P502-Q505 CarbonylContact O-C 3.5Å; P502-Q505 WeakPolarHBondContact O-CA 3.49Å; P502-Q505 VanDerWaalsContact O-CB 3.25Å; P502-Q505 WeakPolarHBondContact O-CB 3.3Å; P502-Q505 PolarHBondContact O-N 3.48Å; L503-Q505 VanDerWaalsContact C-N 3.27Å; L503-Q505 PolarHBondContact O-N 2.71Å; Q505-I507 VanDerWaalsContact C-N 3.3Å; Q505-I507 PolarHBondContact O-N 3.12Å; Q505-T508 PolarHBondContact O-N 3.36Å; Q505-Q509 HydrophobicContact CG-CB 4.35Å; Q505-Q509 VanDerWaalsContact CG-CD 3.44Å; Q505-Q509 HydrophobicContact CG-CG 3.86Å; Q505-Q509 WeakPolarHBondContact O-CB 3.31Å; Q505-Q509 PolarHBondContact O-N 2.96Å
506	A	92	Very high	76.4	Confident	2 Å²	2	64.6 Å²	64.6	2%	0.017	32%	0.317	C	S	.	.	H	α-helix	trans	-62.1	-35.5	177.4	0	0	0	0	0	112.9	N397 L401 V417 L501 P502 L503 R514	N397-A506 PolarHBondContact ND2-O 3.04Å; N397-A506 VanDerWaalsContact ND2-O 3.13Å; L401-A506 HydrophobicContact CD1-CB 3.83Å; V417-A506 HydrophobicContact CG1-CB 4.1Å; V417-A506 HydrophobicContact CG2-CB 4.14Å; L501-A506 HydrophobicContact CD2-CB 4.08Å; L501-A506 HydrophobicContact CG-CB 4.1Å; P502-A506 PolarHBondContact O-N 3.06Å; L503-A506 WeakPolarHBondContact O-CB 3.42Å; L503-A506 PolarHBondContact O-N 3.04Å; L503-A506 VanDerWaalsContact O-N 3.16Å; A506-R514 PolarHBondContact O-NH2 3.37Å; A506-R514 VanDerWaalsContact O-NH2 3.08Å
507	I	89.7	Confident	73.6	Confident	3 Å²	3	73.9 Å²	73.9	2%	0.015	35%	0.349	C	S	.	.	H	α-helix	trans	-91.6	-11.1	179.7	70.2	179.5	0	0	0	115	A393 N397 L401 L503 L504 Q505 V550 V551 L554	A393-I507 HydrophobicContact CB-CG2 3.71Å; N397-I507 WeakPolarHBondContact CB-O 3.45Å; N397-I507 PolarHBondContact OD1-O 3.2Å; N397-I507 VanDerWaalsContact OD1-O 3.14Å; L401-I507 HydrophobicContact CD1-CG2 4.12Å; L503-I507 HydrophobicContact CD1-CG2 4.42Å; L503-I507 PolarHBondContact O-N 3.49Å; L503-I507 VanDerWaalsContact O-N 3.16Å; L504-I507 HydrophobicContact CD1-CD1 4.39Å; L504-I507 HydrophobicContact CD1-CG1 4.47Å; L504-I507 WeakPolarHBondContact O-CG1 3.46Å; Q505-I507 VanDerWaalsContact C-N 3.3Å; Q505-I507 PolarHBondContact O-N 3.12Å; I507-V550 HydrophobicContact CD1-CG1 3.89Å; I507-V551 HydrophobicContact CD1-CG2 4.15Å; I507-L554 HydrophobicContact CD1-CD1 3.8Å; I507-L554 HydrophobicContact CG2-CD1 3.97Å
508	T	82.5	Confident	70.7	Confident	70 Å²	70	81 Å²	81	43%	0.429	38%	0.379	S	S	.	.	H	α-helix	trans	-107.2	-28.5	178.3	53	0	0	0	0	113.8	L504 Q505 S510	L504-T508 HydrophobicContact CD1-CG2 4.07Å; L504-T508 WeakPolarHBondContact O-CB 3.38Å; L504-T508 VanDerWaalsContact O-CG2 3.3Å; L504-T508 WeakPolarHBondContact O-CG2 3.21Å; L504-T508 PolarHBondContact O-N 3.23Å; L504-T508 PolarHBondContact O-OG1 3.26Å; Q505-T508 PolarHBondContact O-N 3.36Å; T508-S510 PolarHBondContact O-N 3.32Å
509	Q	70.1	Confident	67.7	Low	81 Å²	81	85.6 Å²	85.6	38%	0.379	40%	0.402	S	S	.	.			trans	-102.4	53.8	-174.4	-60.4	-167.9	3.3	0	0	113.6	Q505 R511 R513	Q505-Q509 HydrophobicContact CG-CB 4.35Å; Q505-Q509 VanDerWaalsContact CG-CD 3.44Å; Q505-Q509 HydrophobicContact CG-CG 3.86Å; Q505-Q509 WeakPolarHBondContact O-CB 3.31Å; Q505-Q509 PolarHBondContact O-N 2.96Å; Q509-R511 PolarHBondContact O-N 3.4Å; Q509-R513 VanDerWaalsContact OE1-NE 3.15Å
510	S	55.1	Low	64.6	Low	18 Å²	18	88 Å²	88	13%	0.126	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-53.3	177	27.1	0	0	0	0	114.3	N397 T508	N397-S510 WeakPolarHBondContact OD1-CB 3.49Å; N397-S510 PolarHBondContact OD1-N 3.07Å; N397-S510 PolarHBondContact OD1-OG 2.88Å; T508-S510 PolarHBondContact O-N 3.32Å
511	R	52.6	Low	61.7	Low	149 Å²	149	96.8 Å²	96.8	56%	0.562	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-25.4	-155	-66.9	-175.5	170.3	-149.4	-14.8	116.9	K238 F239 T240 Q509	K238-R511 PolarHBondContact O-NH2 3.03Å; F239-R511 PolarHBondContact O-NH2 2.93Å; T240-R511 VanDerWaalsContact CG2-NH2 3.28Å; Q509-R511 PolarHBondContact O-N 3.4Å
512	L	44.1	Very low	58.8	Low	84 Å²	84	99.9 Å²	99.9	44%	0.44	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-11	-164.1	-91.6	167.4	0	0	0	116.5	K516 V523 L526	L512-K516 WeakPolarHBondContact O-CE 3.45Å; L512-V523 HydrophobicContact CD2-CG1 4.33Å; L512-L526 HydrophobicContact CD2-CB 4.28Å; L512-L526 HydrophobicContact CD2-CD2 3.88Å; L512-L526 HydrophobicContact CG-CD2 4.34Å
513	R	43.6	Very low	56	Low	146 Å²	146	99.1 Å²	99.1	55%	0.551	46%	0.456	S	S	*	.	S	Bend	trans	-106.3	-49.3	-178.2	-73.3	-170	174.2	-140.5	-3.5	114.1	Q509 Y515 K516	Q509-R513 VanDerWaalsContact OE1-NE 3.15Å; R513-Y515 PolarHBondContact O-N 3.24Å; R513-K516 PolarHBondContact O-N 3.37Å
514	R	45	Very low	53	Low	51 Å²	51	102.2 Å²	102.2	19%	0.192	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-20.1	-165.1	-54.5	-168.7	-160.3	171.7	3.1	115.4	P400 L401 H493 A506	P400-R514 PolarHBondContact O-NH1 3.1Å; L401-R514 PolarHBondContact O-NH1 2.76Å; H493-R514 PolarHBondContact CD2-O 3.24Å; A506-R514 PolarHBondContact O-NH2 3.37Å; A506-R514 VanDerWaalsContact O-NH2 3.08Å
515	Y	43.4	Very low	50.1	Low	176 Å²	176	105.5 Å²	105.5	69%	0.69	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	29.3	179.2	-75.1	-66.4	0	0	0	114.3	H493 R513 R517	H493-Y515 AromaticContact NE2-CD1 3.89Å; H493-Y515 AromaticContact NE2-CE1 3.87Å; R513-Y515 PolarHBondContact O-N 3.24Å; Y515-R517 VanDerWaalsContact C-N 3.27Å; Y515-R517 PolarHBondContact O-N 2.74Å
516	K	39.7	Very low	47.2	Very low	143 Å²	143	108.2 Å²	108.2	62%	0.622	51%	0.512	S	S	*	.			trans	-72.2	81	170.5	-75.8	-165.5	173.6	-170.9	0	111.7	L512 R513	L512-K516 WeakPolarHBondContact O-CE 3.45Å; R513-K516 PolarHBondContact O-N 3.37Å
517	R	34.9	Very low	44.3	Very low	203 Å²	203	112.7 Å²	112.7	77%	0.766	54%	0.543	S	S	*	.			trans	-57.6	164.4	155.4	-78.9	-179.7	161.8	172.5	-10.4	110	Y515 D519	Y515-R517 VanDerWaalsContact C-N 3.27Å; Y515-R517 PolarHBondContact O-N 2.74Å; R517-D519 PolarHBondContact O-N 3.13Å
518	K	35.6	Very low	41.6	Very low	201 Å²	201	116 Å²	116	87%	0.874	56%	0.564	S	S	*	*	S	Bend	trans	-62	-12.5	-167.4	-73.9	-179.4	175.9	174.8	0	115.7	T520	K518-T520 PolarHBondContact O-N 3.41Å
519	D	34.2	Very low	39.2	Very low	117 Å²	117	118.1 Å²	118.1	63%	0.626	58%	0.577	S	S	*	*			trans	-79.6	77.7	-173.8	-54.7	-61.1	0	0	0	113.1	R517 R521	R517-D519 PolarHBondContact O-N 3.13Å; D519-R521 PolarHBondContact O-N 2.81Å
520	T	31.8	Very low	37.4	Very low	128 Å²	128	121.2 Å²	121.2	79%	0.785	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	10.7	178.4	52.1	0	0	0	0	115.1	K518	K518-T520 PolarHBondContact O-N 3.41Å
521	R	34.3	Very low	36.3	Very low	237 Å²	237	127.4 Å²	127.4	89%	0.894	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	-13.5	-178.3	-77	-175.8	169.6	175.9	-3.5	115.6	D519	D519-R521 PolarHBondContact O-N 2.81Å
522	S	32.2	Very low	35.7	Very low	88 Å²	88	124.1 Å²	124.1	62%	0.615	63%	0.63	S	S	*	*	S	Bend	trans	-100.9	-9.1	-179	56.2	0	0	0	0	114.5
523	V	35.4	Very low	35.7	Very low	56 Å²	56	126.2 Å²	126.2	34%	0.339	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-83.5	-15.5	-168.3	-168.4	0	0	0	0	113.3	L512 N525 L526	L512-V523 HydrophobicContact CD2-CG1 4.33Å; V523-N525 PolarHBondContact O-N 3.35Å; V523-L526 PolarHBondContact O-N 2.8Å
524	S	32.8	Very low	36.2	Very low	81 Å²	81	128.8 Å²	128.8	57%	0.566	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-61.7	-30.2	177.8	51.5	0	0	0	0	113.6	S527	S524-S527 PolarHBondContact O-OG 3.12Å; S524-S527 VanDerWaalsContact O-OG 3.13Å
525	N	30.3	Very low	37.2	Very low	139 Å²	139	130.3 Å²	130.3	74%	0.743	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-95.8	8.7	-170.7	-60.3	13.3	0	0	0	112.6	V523	V523-N525 PolarHBondContact O-N 3.35Å
526	L	32.4	Very low	38.9	Very low	99 Å²	99	124.2 Å²	124.2	52%	0.518	65%	0.654	S	S	.	*	G	3₁₀ helix	trans	-107.4	18.1	173.2	-136.9	81.5	0	0	0	113.4	L512 V523 T528	L512-L526 HydrophobicContact CD2-CB 4.28Å; L512-L526 HydrophobicContact CD2-CD2 3.88Å; L512-L526 HydrophobicContact CG-CD2 4.34Å; V523-L526 PolarHBondContact O-N 2.8Å; L526-T528 PolarHBondContact O-N 2.67Å
527	S	30.8	Very low	40.8	Very low	97 Å²	97	125 Å²	125	68%	0.678	66%	0.66	S	S	*	*			trans	-57.8	82.9	148.1	42.7	0	0	0	0	108.3	S524 T529	S524-S527 PolarHBondContact O-OG 3.12Å; S524-S527 VanDerWaalsContact O-OG 3.13Å; S527-T529 PolarHBondContact O-N 3.31Å; S527-T529 VanDerWaalsContact O-N 3.15Å
528	T	32.9	Very low	42.9	Very low	72 Å²	72	121 Å²	121	44%	0.442	65%	0.65	S	S	.	*			trans	-52.9	126.4	178.4	-67	0	0	0	0	108	L526 M530	L526-T528 PolarHBondContact O-N 2.67Å; T528-M530 HydrophobicContact CG2-SD 4.5Å; T528-M530 PolarHBondContact O-N 2.96Å
529	T	31.3	Very low	44.9	Very low	114 Å²	114	113.9 Å²	113.9	70%	0.699	62%	0.62	S	S	*	*			trans	-63.2	81.6	166.4	35.3	0	0	0	0	108.7	S527 N531	S527-T529 PolarHBondContact O-N 3.31Å; S527-T529 VanDerWaalsContact O-N 3.15Å; T529-N531 PolarHBondContact O-N 3.42Å
530	M	32.9	Very low	47.2	Very low	146 Å²	146	113.7 Å²	113.7	72%	0.719	62%	0.615	S	S	*	*			trans	-64.5	90.7	154.5	-69	-60.7	-165	0	0	105.6	T528 A532	T528-M530 HydrophobicContact CG2-SD 4.5Å; T528-M530 PolarHBondContact O-N 2.96Å; M530-A532 HydrophobicContact CB-CB 4.44Å; M530-A532 PolarHBondContact O-N 3.42Å
531	N	33	Very low	49.7	Very low	149 Å²	149	112.4 Å²	112.4	80%	0.797	60%	0.603	S	S	*	*			trans	-61.6	80.9	143.7	-75.4	9.3	0	0	0	105.4	T529 T533	T529-N531 PolarHBondContact O-N 3.42Å; N531-T533 PolarHBondContact O-N 2.94Å
532	A	38.9	Very low	52.2	Low	80 Å²	80	101.4 Å²	101.4	66%	0.661	56%	0.561	S	S	*	*			trans	-70.6	84.5	173.2	0	0	0	0	0	106.3	M530 K534	M530-A532 HydrophobicContact CB-CB 4.44Å; M530-A532 PolarHBondContact O-N 3.42Å; A532-K534 PolarHBondContact O-N 2.82Å
533	T	45	Very low	54.8	Low	127 Å²	127	99.8 Å²	99.8	78%	0.779	55%	0.545	S	S	*	.			trans	-45.7	114.8	148.4	-34.5	0	0	0	0	105	N531 M535	N531-T533 PolarHBondContact O-N 2.94Å; T533-M535 PolarHBondContact O-N 3.04Å
534	K	52.5	Low	57.3	Low	200 Å²	200	101.8 Å²	101.8	87%	0.87	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-54.4	118.4	177.9	-88.7	-167.9	167.5	-163.3	0	107.3	A532	A532-K534 PolarHBondContact O-N 2.82Å
535	M	65.9	Low	60	Low	84 Å²	84	101.9 Å²	101.9	41%	0.414	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-58.4	148.8	161	-76.5	167.5	55.2	0	0	107.8	T533 E539 E540 L543	T533-M535 PolarHBondContact O-N 3.04Å; M535-E539 VanDerWaalsContact CA-OE2 3.32Å; M535-E539 WeakPolarHBondContact CA-OE2 3.32Å; M535-E539 HydrophobicContact CB-CB 4.06Å; M535-E539 HydrophobicContact CE-CB 3.94Å; M535-E539 WeakPolarHBondContact CE-O 3.26Å; M535-E539 HydrophobicContact CG-CB 4.41Å; M535-E540 HydrophobicContact CE-CB 4.38Å; M535-L543 HydrophobicContact CE-CB 4.27Å; M535-L543 HydrophobicContact CE-CD2 3.89Å
536	S	80.3	Confident	62.9	Low	47 Å²	47	95.4 Å²	95.4	33%	0.329	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-68.1	157.3	167.7	69.6	0	0	0	0	110	E538 E539 E540	S536-E538 PolarHBondContact O-N 3Å; S536-E539 PolarHBondContact N-OE2 3.27Å; S536-E539 PolarHBondContact O-N 3.29Å; S536-E539 WeakPolarHBondContact OG-CG 3.46Å; S536-E539 PolarHBondContact OG-N 3.34Å; S536-E540 PolarHBondContact O-N 3.18Å
537	E	79.7	Confident	65.9	Low	160 Å²	160	91.7 Å²	91.7	75%	0.748	49%	0.492	S	S	*	.	H	α-helix	trans	-58.2	-31.6	173.2	-64.2	175.4	175.9	0	0	110.6	E540 I541	E537-E540 PolarHBondContact O-N 3.42Å; E537-I541 WeakPolarHBondContact O-CB 3.39Å; E537-I541 WeakPolarHBondContact O-CD1 3.32Å; E537-I541 WeakPolarHBondContact O-CG1 3.47Å; E537-I541 PolarHBondContact O-N 2.81Å
538	E	79.1	Confident	68.9	Low	118 Å²	118	93.1 Å²	93.1	55%	0.551	49%	0.487	S	S	*	.	H	α-helix	trans	-65	-41.8	172.5	-57.6	176.7	169.8	0	0	113.1	S536 Y542 I587	S536-E538 PolarHBondContact O-N 3Å; E538-Y542 VanDerWaalsContact O-CB 3.24Å; E538-Y542 WeakPolarHBondContact O-CB 3.37Å; E538-Y542 PolarHBondContact O-N 3.07Å; E538-I587 HydrophobicContact CB-CG1 4.47Å
539	E	76.7	Confident	71.9	Confident	52 Å²	52	91.5 Å²	91.5	24%	0.243	48%	0.476	C	S	.	.	H	α-helix	trans	-69.1	-34.9	176.6	-75.7	177.2	133.1	0	0	112.1	M535 S536 L543	M535-E539 VanDerWaalsContact CA-OE2 3.32Å; M535-E539 WeakPolarHBondContact CA-OE2 3.32Å; M535-E539 HydrophobicContact CB-CB 4.06Å; M535-E539 HydrophobicContact CE-CB 3.94Å; M535-E539 WeakPolarHBondContact CE-O 3.26Å; M535-E539 HydrophobicContact CG-CB 4.41Å; S536-E539 PolarHBondContact N-OE2 3.27Å; S536-E539 PolarHBondContact O-N 3.29Å; S536-E539 WeakPolarHBondContact OG-CG 3.46Å; S536-E539 PolarHBondContact OG-N 3.34Å; E539-L543 VanDerWaalsContact O-CB 3.31Å; E539-L543 WeakPolarHBondContact O-CB 3.27Å; E539-L543 PolarHBondContact O-N 3.08Å
540	E	82.2	Confident	75	Confident	114 Å²	114	86.1 Å²	86.1	53%	0.533	44%	0.443	S	S	.	.	H	α-helix	trans	-70.7	-48.1	176.3	-168.6	161.5	-148.6	0	0	111	M535 S536 E537 Y542 L543 D544	M535-E540 HydrophobicContact CE-CB 4.38Å; S536-E540 PolarHBondContact O-N 3.18Å; E537-E540 PolarHBondContact O-N 3.42Å; E540-Y542 VanDerWaalsContact C-N 3.33Å; E540-Y542 PolarHBondContact O-N 3.38Å; E540-L543 PolarHBondContact O-N 3.06Å; E540-L543 VanDerWaalsContact O-N 3.14Å; E540-D544 PolarHBondContact O-N 3.45Å
541	I	85	Confident	78	Confident	100 Å²	100	80.7 Å²	80.7	51%	0.513	42%	0.418	S	S	.	.	H	α-helix	trans	-59.2	-42.4	173.8	-69.2	164.5	0	0	0	111.4	E537 Q545	E537-I541 WeakPolarHBondContact O-CB 3.39Å; E537-I541 WeakPolarHBondContact O-CD1 3.32Å; E537-I541 WeakPolarHBondContact O-CG1 3.47Å; E537-I541 PolarHBondContact O-N 2.81Å; I541-Q545 WeakPolarHBondContact O-CG 3.47Å; I541-Q545 PolarHBondContact O-N 2.99Å; I541-Q545 VanDerWaalsContact O-N 3.1Å
542	Y	87.1	Confident	81.1	Confident	6 Å²	6	77.7 Å²	77.7	2%	0.024	40%	0.402	C	S	.	.	H	α-helix	trans	-61.1	-46	174.5	174.2	-84.3	0	0	0	111.5	E538 E540 D544 Q545 D546 H579 N583 I587 L593	E538-Y542 VanDerWaalsContact O-CB 3.24Å; E538-Y542 WeakPolarHBondContact O-CB 3.37Å; E538-Y542 PolarHBondContact O-N 3.07Å; E540-Y542 VanDerWaalsContact C-N 3.33Å; E540-Y542 PolarHBondContact O-N 3.38Å; Y542-D544 VanDerWaalsContact C-N 3.34Å; Y542-D544 PolarHBondContact O-N 3.38Å; Y542-Q545 PolarHBondContact O-N 3.43Å; Y542-D546 HydrophobicContact CE1-CB 4.09Å; Y542-D546 VanDerWaalsContact O-CB 3.31Å; Y542-D546 WeakPolarHBondContact O-CB 3.44Å; Y542-D546 PolarHBondContact O-N 3.01Å; Y542-H579 AromaticContact CD2-NE2 3.56Å; Y542-H579 AromaticContact CE2-CD2 3.55Å; Y542-H579 AromaticContact CE2-NE2 3.27Å; Y542-H579 VanDerWaalsContact CE2-NE2 3.27Å; Y542-H579 WeakPolarHBondContact CE2-NE2 3.35Å; Y542-H579 AromaticContact CZ-CD2 3.71Å; Y542-H579 AromaticContact CZ-NE2 3.68Å; Y542-N583 HydrophobicContact CD2-CB 3.86Å; Y542-N583 HydrophobicContact CE2-CB 3.9Å; Y542-I587 HydrophobicContact CD2-CD1 3.94Å; Y542-I587 HydrophobicContact CG-CD1 4.06Å; Y542-L593 HydrophobicContact CD1-CD1 4.31Å; Y542-L593 HydrophobicContact CE1-CD1 3.89Å
543	L	85.7	Confident	84	Confident	54 Å²	54	73.9 Å²	73.9	28%	0.283	37%	0.371	S	S	.	.	H	α-helix	trans	-65.5	-37.9	-177.6	-177.9	59.8	0	0	0	111.9	M535 E539 E540 D546 N547	M535-L543 HydrophobicContact CE-CB 4.27Å; M535-L543 HydrophobicContact CE-CD2 3.89Å; E539-L543 VanDerWaalsContact O-CB 3.31Å; E539-L543 WeakPolarHBondContact O-CB 3.27Å; E539-L543 PolarHBondContact O-N 3.08Å; E540-L543 PolarHBondContact O-N 3.06Å; E540-L543 VanDerWaalsContact O-N 3.14Å; L543-D546 PolarHBondContact O-N 2.97Å; L543-N547 VanDerWaalsContact O-CB 3.29Å; L543-N547 WeakPolarHBondContact O-CB 3.37Å; L543-N547 PolarHBondContact O-N 2.87Å; L543-N547 PolarHBondContact O-ND2 3.14Å; L543-N547 VanDerWaalsContact O-ND2 3.11Å
544	D	87.8	Confident	86.5	Confident	99 Å²	99	67.9 Å²	67.9	53%	0.529	33%	0.334	S	S	.	.	H	α-helix	trans	-69.6	-40	176.9	-85	-7.8	0	0	0	112.8	E540 Y542 N547 E548	E540-D544 PolarHBondContact O-N 3.45Å; Y542-D544 VanDerWaalsContact C-N 3.34Å; Y542-D544 PolarHBondContact O-N 3.38Å; D544-N547 WeakPolarHBondContact O-CB 3.35Å; D544-N547 PolarHBondContact O-N 3.13Å; D544-E548 PolarHBondContact O-N 2.91Å
545	Q	90.8	Very high	88.7	Confident	83 Å²	83	60.9 Å²	60.9	39%	0.388	31%	0.31	S	S	.	.	H	α-helix	trans	-64.3	-42.4	172	-69.3	177	16.6	0	0	112	I541 Y542 N547 E548 L549 H579	I541-Q545 WeakPolarHBondContact O-CG 3.47Å; I541-Q545 PolarHBondContact O-N 2.99Å; I541-Q545 VanDerWaalsContact O-N 3.1Å; Y542-Q545 PolarHBondContact O-N 3.43Å; Q545-N547 VanDerWaalsContact C-N 3.3Å; Q545-N547 PolarHBondContact O-N 3.3Å; Q545-E548 PolarHBondContact O-N 3.48Å; Q545-L549 WeakPolarHBondContact O-CB 3.42Å; Q545-L549 VanDerWaalsContact O-CG 3.26Å; Q545-L549 WeakPolarHBondContact O-CG 3Å; Q545-L549 PolarHBondContact O-N 2.9Å; Q545-H579 VanDerWaalsContact CB-CE1 3.45Å; Q545-H579 WeakPolarHBondContact CB-CE1 3.4Å; Q545-H579 PolarHBondContact OE1-CE1 3.36Å
546	D	91.9	Very high	90.2	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.016	30%	0.302	C	S	.	.	H	α-helix	trans	-66.4	-30.9	175.8	178.7	80.1	0	0	0	112.2	R244 R248 Y542 L543 V550 W576	R244-D546 IonicContact CZ-OD2 3.81Å; R244-D546 IonicContact NE-OD2 3.22Å; R244-D546 PolarHBondContact NE-OD2 2.94Å; R244-D546 IonicContact NH2-OD2 3.98Å; R244-D546 PolarHBondContact NH2-OD2 3.43Å; R248-D546 IonicContact CZ-OD1 2.72Å; R248-D546 IonicContact NH1-OD1 2.76Å; R248-D546 PolarHBondContact NH1-OD1 3.07Å; R248-D546 IonicContact NH2-OD1 3.71Å; R248-D546 PolarHBondContact NH2-OD1 3.21Å; Y542-D546 HydrophobicContact CE1-CB 4.09Å; Y542-D546 VanDerWaalsContact O-CB 3.31Å; Y542-D546 WeakPolarHBondContact O-CB 3.44Å; Y542-D546 PolarHBondContact O-N 3.01Å; L543-D546 PolarHBondContact O-N 2.97Å; D546-V550 WeakPolarHBondContact O-CB 3.27Å; D546-V550 PolarHBondContact O-N 3.39Å; D546-V550 VanDerWaalsContact O-N 3.16Å; D546-W576 PolarHBondContact OD1-NE1 2.94Å
547	N	93.5	Very high	91.1	Very high	20 Å²	20	56.4 Å²	56.4	11%	0.107	29%	0.287	C	S	.	.	H	α-helix	trans	-69.2	-48	170.6	-79.5	-33.1	0	0	0	112.3	R244 L504 L543 D544 Q545 V550 V551	R244-N547 PolarHBondContact NH2-OD1 2.74Å; L504-N547 HydrophobicContact CD1-CB 3.89Å; L543-N547 VanDerWaalsContact O-CB 3.29Å; L543-N547 WeakPolarHBondContact O-CB 3.37Å; L543-N547 PolarHBondContact O-N 2.87Å; L543-N547 PolarHBondContact O-ND2 3.14Å; L543-N547 VanDerWaalsContact O-ND2 3.11Å; D544-N547 WeakPolarHBondContact O-CB 3.35Å; D544-N547 PolarHBondContact O-N 3.13Å; Q545-N547 VanDerWaalsContact C-N 3.3Å; Q545-N547 PolarHBondContact O-N 3.3Å; N547-V550 WeakPolarHBondContact O-CG1 3.29Å; N547-V550 PolarHBondContact O-N 3.43Å; N547-V551 WeakPolarHBondContact O-CB 3.04Å; N547-V551 VanDerWaalsContact O-CG2 3.23Å; N547-V551 WeakPolarHBondContact O-CG2 3.18Å; N547-V551 PolarHBondContact O-N 2.91Å
548	E	94.9	Very high	92	Very high	127 Å²	127	49 Å²	49	59%	0.593	25%	0.252	S	S	*	.	H	α-helix	trans	-60.6	-48.6	177.8	-174.7	-178.1	-177.2	0	0	110.7	D544 Q545 V550 V551 N552	D544-E548 PolarHBondContact O-N 2.91Å; Q545-E548 PolarHBondContact O-N 3.48Å; E548-V550 PolarHBondContact O-N 2.82Å; E548-V551 PolarHBondContact O-N 2.96Å; E548-N552 WeakPolarHBondContact O-CB 3.39Å; E548-N552 PolarHBondContact O-N 3.36Å
549	L	96.6	Very high	92.9	Very high	39 Å²	39	45 Å²	45	20%	0.204	24%	0.236	C	C	.	.	H	α-helix	trans	-64	-36.6	-179	-71.4	177.5	0	0	0	112.9	Q545 L553 H574 P575 W576 H579	Q545-L549 WeakPolarHBondContact O-CB 3.42Å; Q545-L549 VanDerWaalsContact O-CG 3.26Å; Q545-L549 WeakPolarHBondContact O-CG 3Å; Q545-L549 PolarHBondContact O-N 2.9Å; L549-L553 PolarHBondContact O-N 3.2Å; L549-L553 VanDerWaalsContact O-N 3.15Å; L549-H574 PolarHBondContact O-CE1 3.26Å; L549-P575 HydrophobicContact CD2-CB 4.06Å; L549-W576 HydrophobicContact CB-CB 3.97Å; L549-W576 HydrophobicContact CB-CG 4.35Å; L549-H579 HydrophobicContact CD1-CB 3.76Å
550	V	95.6	Very high	93.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-74	-34.1	176.1	82.1	0	0	0	0	112.2	V392 I396 I507 D546 N547 E548 L554 W576	V392-V550 HydrophobicContact CG1-CG2 4.21Å; I396-V550 HydrophobicContact CD1-CG2 3.59Å; I507-V550 HydrophobicContact CD1-CG1 3.89Å; D546-V550 WeakPolarHBondContact O-CB 3.27Å; D546-V550 PolarHBondContact O-N 3.39Å; D546-V550 VanDerWaalsContact O-N 3.16Å; N547-V550 WeakPolarHBondContact O-CG1 3.29Å; N547-V550 PolarHBondContact O-N 3.43Å; E548-V550 PolarHBondContact O-N 2.82Å; V550-L554 HydrophobicContact CG2-CD1 4.35Å; V550-L554 WeakPolarHBondContact O-CB 3.28Å; V550-L554 WeakPolarHBondContact O-CG 3.42Å; V550-L554 PolarHBondContact O-N 2.81Å; V550-W576 HydrophobicContact CB-CG 4.44Å; V550-W576 HydrophobicContact CB-CZ2 4.46Å; V550-W576 HydrophobicContact CG2-CD2 4.21Å; V550-W576 HydrophobicContact CG2-CH2 4.4Å; V550-W576 HydrophobicContact CG2-CZ2 3.72Å
551	V	96.8	Very high	94.6	Very high	33 Å²	33	39.3 Å²	39.3	20%	0.2	21%	0.209	C	C	.	.	H	α-helix	trans	-67.4	-37.5	174.1	169.3	0	0	0	0	111.1	L503 L504 I507 N547 E548 S555	L503-V551 HydrophobicContact CD2-CG1 4.4Å; L504-V551 HydrophobicContact CB-CG2 3.84Å; L504-V551 HydrophobicContact CD1-CG2 3.88Å; L504-V551 HydrophobicContact CG-CG2 4.39Å; I507-V551 HydrophobicContact CD1-CG2 4.15Å; N547-V551 WeakPolarHBondContact O-CB 3.04Å; N547-V551 VanDerWaalsContact O-CG2 3.23Å; N547-V551 WeakPolarHBondContact O-CG2 3.18Å; N547-V551 PolarHBondContact O-N 2.91Å; E548-V551 PolarHBondContact O-N 2.96Å; V551-S555 WeakPolarHBondContact O-CB 3.22Å; V551-S555 PolarHBondContact O-N 3.38Å; V551-S555 PolarHBondContact O-OG 3.07Å
552	N	97.7	Very high	95.2	Very high	86 Å²	86	35.4 Å²	35.4	46%	0.46	19%	0.19	S	C	.	.	H	α-helix	trans	-61.6	-52.1	174.3	-168.8	-91.2	0	0	0	111.2	E548 L554 S555 S556 H574	E548-N552 WeakPolarHBondContact O-CB 3.39Å; E548-N552 PolarHBondContact O-N 3.36Å; N552-L554 PolarHBondContact O-N 2.79Å; N552-S555 PolarHBondContact O-N 3.33Å; N552-S556 PolarHBondContact O-N 2.76Å; N552-S556 VanDerWaalsContact O-N 3.07Å; N552-S556 PolarHBondContact O-OG 3.06Å; N552-S556 VanDerWaalsContact O-OG 3.12Å; N552-H574 PolarHBondContact OD1-NE2 2.7Å
553	L	98.2	Very high	95.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-55.9	-49.8	175.6	177.4	59.9	0	0	0	111.9	L549 S555 S556 C557 A571 H574 W576 F577	L549-L553 PolarHBondContact O-N 3.2Å; L549-L553 VanDerWaalsContact O-N 3.15Å; L553-S555 VanDerWaalsContact C-N 3.34Å; L553-S555 PolarHBondContact O-N 3.29Å; L553-S556 PolarHBondContact O-N 2.89Å; L553-C557 PolarHBondContact O-N 2.67Å; L553-C557 PolarHBondContact O-SG 3.3Å; L553-C557 VanDerWaalsContact O-SG 3.36Å; L553-A571 HydrophobicContact CD1-CB 4.44Å; L553-H574 HydrophobicContact CD1-CB 4.1Å; L553-W576 HydrophobicContact CD2-CD2 4.2Å; L553-W576 HydrophobicContact CD2-CE3 3.49Å; L553-W576 VanDerWaalsContact CD2-CE3 3.49Å; L553-W576 HydrophobicContact CD2-CZ3 3.98Å; L553-F577 HydrophobicContact CD2-CE2 3.93Å; L553-F577 HydrophobicContact CD2-CZ 4.16Å
554	L	98.3	Very high	96.2	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-40.4	179.9	-74	170.8	0	0	0	112.2	G389 V392 A393 L503 I507 V550 N552 S556 C557 L558	G389-L554 WeakPolarHBondContact O-CD2 3.4Å; V392-L554 HydrophobicContact CB-CD2 3.84Å; V392-L554 HydrophobicContact CG1-CD2 3.82Å; V392-L554 HydrophobicContact CG1-CG 4.31Å; A393-L554 HydrophobicContact CB-CD1 4.37Å; A393-L554 HydrophobicContact CB-CD2 4.12Å; L503-L554 HydrophobicContact CD2-CB 3.87Å; I507-L554 HydrophobicContact CD1-CD1 3.8Å; I507-L554 HydrophobicContact CG2-CD1 3.97Å; V550-L554 HydrophobicContact CG2-CD1 4.35Å; V550-L554 WeakPolarHBondContact O-CB 3.28Å; V550-L554 WeakPolarHBondContact O-CG 3.42Å; V550-L554 PolarHBondContact O-N 2.81Å; N552-L554 PolarHBondContact O-N 2.79Å; L554-S556 VanDerWaalsContact C-N 3.32Å; L554-S556 PolarHBondContact O-N 3.19Å; L554-C557 PolarHBondContact O-N 3.01Å; L554-L558 VanDerWaalsContact O-CB 3.24Å; L554-L558 WeakPolarHBondContact O-CB 3.28Å; L554-L558 VanDerWaalsContact O-CG 3.23Å; L554-L558 WeakPolarHBondContact O-CG 3.31Å; L554-L558 PolarHBondContact O-N 3.17Å
555	S	98.2	Very high	96.7	Very high	53 Å²	53	40.6 Å²	40.6	37%	0.371	21%	0.214	S	C	.	.	H	α-helix	trans	-62.7	-40.3	177.2	-57.5	0	0	0	0	111.6	V551 N552 L553 L558 T559	V551-S555 WeakPolarHBondContact O-CB 3.22Å; V551-S555 PolarHBondContact O-N 3.38Å; V551-S555 PolarHBondContact O-OG 3.07Å; N552-S555 PolarHBondContact O-N 3.33Å; L553-S555 VanDerWaalsContact C-N 3.34Å; L553-S555 PolarHBondContact O-N 3.29Å; S555-L558 CarbonylContact O-C 3.53Å; S555-L558 PolarHBondContact O-N 2.7Å; S555-T559 PolarHBondContact O-N 2.72Å; S555-T559 PolarHBondContact O-OG1 2.66Å
556	S	98.5	Very high	97	Very high	36 Å²	36	38 Å²	38	25%	0.252	20%	0.202	S	C	.	.	H	α-helix	trans	-72.7	-30.5	177	-51.6	0	0	0	0	113.4	N552 L553 L554 T559 I566	N552-S556 PolarHBondContact O-N 2.76Å; N552-S556 VanDerWaalsContact O-N 3.07Å; N552-S556 PolarHBondContact O-OG 3.06Å; N552-S556 VanDerWaalsContact O-OG 3.12Å; L553-S556 PolarHBondContact O-N 2.89Å; L554-S556 VanDerWaalsContact C-N 3.32Å; L554-S556 PolarHBondContact O-N 3.19Å; S556-T559 PolarHBondContact O-OG1 2.81Å; S556-I566 VanDerWaalsContact C-CG2 3.46Å; S556-I566 WeakPolarHBondContact O-CG2 3.26Å; S556-I566 PolarHBondContact O-N 3.28Å
557	C	98.7	Very high	97.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-76.7	-27.3	172.2	-67.5	0	0	0	0	113.1	T385 L553 L554 R565 I566	T385-C557 HydrophobicContact CG2-CB 4.29Å; L553-C557 PolarHBondContact O-N 2.67Å; L553-C557 PolarHBondContact O-SG 3.3Å; L553-C557 VanDerWaalsContact O-SG 3.36Å; L554-C557 PolarHBondContact O-N 3.01Å; C557-R565 WeakPolarHBondContact O-CD 3.46Å; C557-R565 VanDerWaalsContact O-CG 3.28Å; C557-R565 WeakPolarHBondContact O-CG 3.39Å; C557-I566 HydrophobicContact CB-CG2 4.37Å; C557-I566 WeakPolarHBondContact SG-CG2 3.06Å
558	L	98.6	Very high	97.5	Very high	4 Å²	4	39 Å²	39	2%	0.021	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	24.7	-177	-59.2	174.2	0	0	0	112.5	W386 L401 F402 L418 L503 L554 S555 W560	W386-L558 HydrophobicContact CD2-CD2 3.84Å; W386-L558 HydrophobicContact CE3-CB 4.39Å; W386-L558 HydrophobicContact CE3-CD2 4.03Å; W386-L558 HydrophobicContact CG-CD2 4.28Å; W386-L558 HydrophobicContact CH2-CD2 4.49Å; W386-L558 HydrophobicContact CZ2-CD2 4.31Å; W386-L558 HydrophobicContact CZ3-CB 4.17Å; W386-L558 HydrophobicContact CZ3-CD2 4.36Å; W386-L558 VanDerWaalsContact CZ3-O 3.28Å; W386-L558 WeakPolarHBondContact CZ3-O 3.4Å; L401-L558 HydrophobicContact CD2-CD1 3.47Å; L401-L558 VanDerWaalsContact CD2-CD1 3.47Å; F402-L558 HydrophobicContact CE2-CD1 4.2Å; F402-L558 HydrophobicContact CE2-CD2 4.18Å; F402-L558 HydrophobicContact CZ-CD1 4.21Å; L418-L558 HydrophobicContact CD1-CB 3.89Å; L418-L558 WeakPolarHBondContact CD1-O 3.3Å; L418-L558 HydrophobicContact CD2-CB 4.4Å; L503-L558 HydrophobicContact CD1-CD1 4.49Å; L554-L558 VanDerWaalsContact O-CB 3.24Å; L554-L558 WeakPolarHBondContact O-CB 3.28Å; L554-L558 VanDerWaalsContact O-CG 3.23Å; L554-L558 WeakPolarHBondContact O-CG 3.31Å; L554-L558 PolarHBondContact O-N 3.17Å; S555-L558 CarbonylContact O-C 3.53Å; S555-L558 PolarHBondContact O-N 2.7Å; L558-W560 PolarHBondContact O-N 3.16Å
559	T	98.2	Very high	97.5	Very high	34 Å²	34	36.5 Å²	36.5	21%	0.209	20%	0.197	C	C	.	.			trans	-64.9	133.5	174.8	-57.9	0	0	0	0	110.8	S555 S556 L561 E564 R565	S555-T559 PolarHBondContact O-N 2.72Å; S555-T559 PolarHBondContact O-OG1 2.66Å; S556-T559 PolarHBondContact O-OG1 2.81Å; T559-L561 PolarHBondContact O-N 3.47Å; T559-E564 HydrophobicContact CG2-CB 3.74Å; T559-R565 PolarHBondContact O-NE 3.13Å; T559-R565 PolarHBondContact O-NH2 2.86Å; T559-R565 VanDerWaalsContact O-NH2 3.14Å
560	W	97.8	Very high	97.5	Very high	26 Å²	26	41.1 Å²	41.1	10%	0.098	22%	0.216	C	C	.	.	S	Bend	trans	-60.2	-42.7	-176.5	-79.6	107.9	0	0	0	113.2	P371 M411 I414 M415 L418 G419 L420 P421 L425 L558	P371-W560 HydrophobicContact CB-CE3 3.72Å; P371-W560 HydrophobicContact CB-CZ3 3.56Å; P371-W560 HydrophobicContact CG-CE3 3.84Å; P371-W560 HydrophobicContact CG-CZ3 4.14Å; M411-W560 HydrophobicContact SD-CH2 3.96Å; M411-W560 HydrophobicContact SD-CZ3 3.9Å; I414-W560 HydrophobicContact CB-CH2 4.21Å; I414-W560 HydrophobicContact CG2-CH2 3.37Å; I414-W560 HydrophobicContact CG2-CZ2 3.67Å; I414-W560 HydrophobicContact CG2-CZ3 3.98Å; M415-W560 HydrophobicContact CG-CH2 4.11Å; M415-W560 HydrophobicContact CG-CZ2 4.24Å; L418-W560 HydrophobicContact CB-CZ2 4.23Å; L418-W560 PolarHBondContact O-NE1 3.13Å; L418-W560 VanDerWaalsContact O-NE1 3.12Å; G419-W560 WeakPolarHBondContact O-CZ2 3.34Å; L420-W560 PolarHBondContact O-NE1 3.35Å; P421-W560 HydrophobicContact CB-CD2 4.02Å; P421-W560 HydrophobicContact CB-CE3 3.73Å; P421-W560 HydrophobicContact CB-CH2 4.22Å; P421-W560 HydrophobicContact CB-CZ2 4.48Å; P421-W560 HydrophobicContact CB-CZ3 3.83Å; P421-W560 HydrophobicContact CG-CE3 4.09Å; P421-W560 HydrophobicContact CG-CH2 3.67Å; P421-W560 HydrophobicContact CG-CZ2 4.11Å; P421-W560 HydrophobicContact CG-CZ3 3.66Å; L425-W560 HydrophobicContact CD2-CE3 3.93Å; L558-W560 PolarHBondContact O-N 3.16Å
561	L	97.2	Very high	97.6	Very high	22 Å²	22	41.1 Å²	41.1	12%	0.115	22%	0.216	C	C	.	.	S	Bend	trans	-82	127.5	177.1	-69.5	175.4	0	0	0	110.3	H422 N424 L425 T559 D563 E564 R565	H422-L561 HydrophobicContact CB-CD1 4.38Å; H422-L561 HydrophobicContact CB-CD2 4.39Å; H422-L561 HydrophobicContact CB-CG 4.15Å; N424-L561 HydrophobicContact CB-CD2 4.4Å; L425-L561 HydrophobicContact CB-CD2 4.07Å; L425-L561 HydrophobicContact CD1-CD2 4.45Å; T559-L561 PolarHBondContact O-N 3.47Å; L561-D563 VanDerWaalsContact C-N 3.33Å; L561-D563 PolarHBondContact O-N 3.1Å; L561-E564 HydrophobicContact CB-CB 4.21Å; L561-E564 HydrophobicContact CB-CG 4.08Å; L561-E564 VanDerWaalsContact CD1-CD 3.48Å; L561-E564 HydrophobicContact CD1-CG 4.31Å; L561-E564 WeakPolarHBondContact CD1-OE1 3.39Å; L561-E564 PolarHBondContact O-N 2.96Å; L561-R565 PolarHBondContact O-N 3.22Å
562	P	97.2	Very high	97.4	Very high	17 Å²	17	40.2 Å²	40.2	11%	0.11	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-58.7	-40.9	-179.6	-26.8	35.7	0	0	0	113.6	E372 A382 E564 R565	E372-P562 HydrophobicContact CB-CG 4.37Å; E372-P562 HydrophobicContact CG-CG 4.26Å; A382-P562 HydrophobicContact CB-CB 3.92Å; P562-E564 VanDerWaalsContact C-N 3.3Å; P562-E564 PolarHBondContact O-N 2.89Å; P562-R565 WeakPolarHBondContact O-CB 3.46Å; P562-R565 PolarHBondContact O-N 3.41Å
563	D	96.3	Very high	97.3	Very high	133 Å²	133	42.6 Å²	42.6	71%	0.711	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-74	-21.2	-173.7	-48.9	-47.9	0	0	0	113.2	L561	L561-D563 VanDerWaalsContact C-N 3.33Å; L561-D563 PolarHBondContact O-N 3.1Å
564	E	97.3	Very high	97.2	Very high	132 Å²	132	43.2 Å²	43.2	62%	0.617	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-88.9	-11.1	175.3	-64.4	179.8	172.9	0	0	112.6	T559 L561 P562	T559-E564 HydrophobicContact CG2-CB 3.74Å; L561-E564 HydrophobicContact CB-CB 4.21Å; L561-E564 HydrophobicContact CB-CG 4.08Å; L561-E564 VanDerWaalsContact CD1-CD 3.48Å; L561-E564 HydrophobicContact CD1-CG 4.31Å; L561-E564 WeakPolarHBondContact CD1-OE1 3.39Å; L561-E564 PolarHBondContact O-N 2.96Å; P562-E564 VanDerWaalsContact C-N 3.3Å; P562-E564 PolarHBondContact O-N 2.89Å
565	R	98	Very high	97.1	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.015	25%	0.248	C	C	.	.	S	Bend	trans	-72.2	141.4	-175.2	-154.2	177.5	-70.6	153.6	3.4	111.1	E372 A382 T385 C557 T559 L561 P562 Q567	E372-R565 IonicContact OE1-CZ 2.67Å; E372-R565 IonicContact OE1-NH1 3.37Å; E372-R565 PolarHBondContact OE1-NH1 3.45Å; E372-R565 IonicContact OE1-NH2 2.73Å; E372-R565 PolarHBondContact OE1-NH2 3.3Å; E372-R565 IonicContact OE2-CZ 3.9Å; E372-R565 IonicContact OE2-NH1 2.72Å; E372-R565 IonicContact OE2-NH2 2.9Å; E372-R565 PolarHBondContact OE2-NH2 3.48Å; A382-R565 VanDerWaalsContact C-NH1 3.27Å; A382-R565 HydrophobicContact CB-CB 4.48Å; A382-R565 WeakPolarHBondContact O-CD 3.39Å; A382-R565 PolarHBondContact O-NH1 3.28Å; T385-R565 HydrophobicContact CG2-CG 3.88Å; C557-R565 WeakPolarHBondContact O-CD 3.46Å; C557-R565 VanDerWaalsContact O-CG 3.28Å; C557-R565 WeakPolarHBondContact O-CG 3.39Å; T559-R565 PolarHBondContact O-NE 3.13Å; T559-R565 PolarHBondContact O-NH2 2.86Å; T559-R565 VanDerWaalsContact O-NH2 3.14Å; L561-R565 PolarHBondContact O-N 3.22Å; P562-R565 WeakPolarHBondContact O-CB 3.46Å; P562-R565 PolarHBondContact O-N 3.41Å; R565-Q567 PolarHBondContact O-N 3.27Å; R565-Q567 VanDerWaalsContact O-N 3.12Å; R565-Q567 PolarHBondContact O-NE2 3.3Å
566	I	98.2	Very high	97	Very high	28 Å²	28	44.2 Å²	44.2	14%	0.144	23%	0.23	C	C	.	.			trans	-67.3	112.7	-171.8	-169.5	172.9	0	0	0	112.9	T385 S556 C557 K570 A571	T385-I566 HydrophobicContact CG2-CG2 4.31Å; T385-I566 WeakPolarHBondContact CG2-O 3.16Å; S556-I566 VanDerWaalsContact C-CG2 3.46Å; S556-I566 WeakPolarHBondContact O-CG2 3.26Å; S556-I566 PolarHBondContact O-N 3.28Å; C557-I566 HydrophobicContact CB-CG2 4.37Å; C557-I566 WeakPolarHBondContact SG-CG2 3.06Å; I566-K570 HydrophobicContact CD1-CB 4.25Å; I566-K570 HydrophobicContact CG1-CB 3.81Å; I566-A571 HydrophobicContact CD1-CB 4.17Å; I566-A571 HydrophobicContact CG1-CB 4.23Å; I566-A571 HydrophobicContact CG2-CB 4.37Å
567	Q	97.7	Very high	96.7	Very high	38 Å²	38	42.8 Å²	42.8	18%	0.178	22%	0.219	C	C	.	.			trans	-62.9	142.8	-179.8	-62.3	-58.4	-32.2	0	0	112.1	R565 N569 K570 A571	R565-Q567 PolarHBondContact O-N 3.27Å; R565-Q567 VanDerWaalsContact O-N 3.12Å; R565-Q567 PolarHBondContact O-NE2 3.3Å; Q567-N569 VanDerWaalsContact CB-OD1 3.28Å; Q567-N569 WeakPolarHBondContact CB-OD1 3.42Å; Q567-N569 PolarHBondContact O-N 3.17Å; Q567-N569 VanDerWaalsContact O-N 3.08Å; Q567-K570 WeakPolarHBondContact O-CA 3.49Å; Q567-K570 WeakPolarHBondContact O-CB 3.3Å; Q567-K570 PolarHBondContact O-N 3.06Å; Q567-A571 PolarHBondContact O-N 3.15Å
568	P	97.1	Very high	96	Very high	5 Å²	5	47 Å²	47	3%	0.032	24%	0.242	C	C	.	.	H	α-helix	trans	-50.1	-38.3	-175.7	-31.4	34.3	0	0	0	114.8	L255 L258 Q259 K570 A571 I572	L255-P568 HydrophobicContact CD2-CB 4.45Å; L258-P568 HydrophobicContact CB-CB 3.98Å; L258-P568 HydrophobicContact CB-CG 3.86Å; Q259-P568 HydrophobicContact CB-CB 4.25Å; P568-K570 VanDerWaalsContact C-N 3.32Å; P568-K570 PolarHBondContact O-N 2.65Å; P568-A571 PolarHBondContact O-N 3.21Å; P568-I572 WeakPolarHBondContact O-CG1 3.44Å; P568-I572 PolarHBondContact O-N 2.79Å
569	N	94.6	Very high	95.4	Very high	75 Å²	75	47.4 Å²	47.4	40%	0.401	24%	0.243	S	C	.	.	H	α-helix	trans	-63.3	-32.3	176.3	67.1	-21.2	0	0	0	114.2	Q259 Q567	Q259-N569 HydrophobicContact CG-CB 4.42Å; Q567-N569 VanDerWaalsContact CB-OD1 3.28Å; Q567-N569 WeakPolarHBondContact CB-OD1 3.42Å; Q567-N569 PolarHBondContact O-N 3.17Å; Q567-N569 VanDerWaalsContact O-N 3.08Å
570	K	96.8	Very high	94.3	Very high	136 Å²	136	47 Å²	47	59%	0.591	24%	0.239	S	C	*	.	H	α-helix	trans	-80	-39	173.1	-64.1	177.6	-178.9	177.8	0	110.9	I566 Q567 P568 I572 L573 H574	I566-K570 HydrophobicContact CD1-CB 4.25Å; I566-K570 HydrophobicContact CG1-CB 3.81Å; Q567-K570 WeakPolarHBondContact O-CA 3.49Å; Q567-K570 WeakPolarHBondContact O-CB 3.3Å; Q567-K570 PolarHBondContact O-N 3.06Å; P568-K570 VanDerWaalsContact C-N 3.32Å; P568-K570 PolarHBondContact O-N 2.65Å; K570-I572 VanDerWaalsContact C-N 3.32Å; K570-I572 PolarHBondContact O-N 3.35Å; K570-L573 PolarHBondContact O-N 2.77Å; K570-L573 VanDerWaalsContact O-N 3.07Å; K570-H574 PolarHBondContact O-N 2.56Å
571	A	97.4	Very high	93.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62	-36.1	179.9	0	0	0	0	0	112.9	L255 L553 I566 Q567 P568 L573 H574 F577	L255-A571 HydrophobicContact CD1-CB 3.73Å; L255-A571 HydrophobicContact CD2-CB 3.78Å; L255-A571 HydrophobicContact CG-CB 4.41Å; L553-A571 HydrophobicContact CD1-CB 4.44Å; I566-A571 HydrophobicContact CD1-CB 4.17Å; I566-A571 HydrophobicContact CG1-CB 4.23Å; I566-A571 HydrophobicContact CG2-CB 4.37Å; Q567-A571 PolarHBondContact O-N 3.15Å; P568-A571 PolarHBondContact O-N 3.21Å; A571-L573 PolarHBondContact O-N 3.03Å; A571-H574 WeakPolarHBondContact O-CB 3.04Å; A571-H574 PolarHBondContact O-N 2.95Å; A571-H574 VanDerWaalsContact O-N 3.08Å; A571-F577 WeakPolarHBondContact O-CD2 3.35Å; A571-F577 VanDerWaalsContact O-CE2 3.23Å; A571-F577 WeakPolarHBondContact O-CE2 3.49Å
572	I	93.6	Very high	91.9	Very high	14 Å²	14	56 Å²	56	7%	0.072	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-31.8	174	-71.7	170.2	0	0	0	112.2	Y252 L255 K256 Q259 P568 K570	Y252-I572 HydrophobicContact CD2-CG2 4.48Å; Y252-I572 HydrophobicContact CE2-CG2 3.71Å; L255-I572 HydrophobicContact CB-CD1 4.22Å; L255-I572 HydrophobicContact CB-CG1 3.58Å; L255-I572 HydrophobicContact CD1-CG1 4.28Å; K256-I572 HydrophobicContact CD-CD1 4.33Å; K256-I572 HydrophobicContact CG-CD1 4.29Å; Q259-I572 HydrophobicContact CB-CD1 3.99Å; Q259-I572 HydrophobicContact CG-CD1 4.42Å; P568-I572 WeakPolarHBondContact O-CG1 3.44Å; P568-I572 PolarHBondContact O-N 2.79Å; K570-I572 VanDerWaalsContact C-N 3.32Å; K570-I572 PolarHBondContact O-N 3.35Å
573	L	94.7	Very high	90.6	Very high	137 Å²	137	57 Å²	57	72%	0.717	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	3.3	-178.4	-56.6	177	0	0	0	112.9	K570 A571	K570-L573 PolarHBondContact O-N 2.77Å; K570-L573 VanDerWaalsContact O-N 3.07Å; A571-L573 PolarHBondContact O-N 3.03Å
574	H	96.9	Very high	89.1	Confident	13 Å²	13	56.4 Å²	56.4	6%	0.06	28%	0.276	C	S	.	.			trans	-64.9	133	-176.2	-172.2	-85	0	0	0	111.4	L549 N552 L553 K570 A571 W576 F577	L549-H574 PolarHBondContact O-CE1 3.26Å; N552-H574 PolarHBondContact OD1-NE2 2.7Å; L553-H574 HydrophobicContact CD1-CB 4.1Å; K570-H574 PolarHBondContact O-N 2.56Å; A571-H574 WeakPolarHBondContact O-CB 3.04Å; A571-H574 PolarHBondContact O-N 2.95Å; A571-H574 VanDerWaalsContact O-N 3.08Å; H574-W576 VanDerWaalsContact ND1-CB 3.28Å; H574-W576 WeakPolarHBondContact ND1-CB 3.49Å; H574-W576 PolarHBondContact ND1-N 3.38Å; H574-W576 PolarHBondContact O-N 2.7Å; H574-F577 HydrophobicContact CB-CD2 4.14Å; H574-F577 HydrophobicContact CB-CE2 4.39Å; H574-F577 PolarHBondContact O-N 3Å
575	P	95.2	Very high	86.9	Confident	75 Å²	75	55.4 Å²	55.4	49%	0.487	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-27.4	-172.6	-28.1	34.7	0	0	0	115.1	L549 F577 N578 H579	L549-P575 HydrophobicContact CD2-CB 4.06Å; P575-F577 PolarHBondContact O-N 2.81Å; P575-F577 VanDerWaalsContact O-N 3.16Å; P575-N578 PolarHBondContact O-N 2.76Å; P575-N578 VanDerWaalsContact O-N 3.09Å; P575-H579 PolarHBondContact O-N 2.68Å
576	W	96	Very high	84.7	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-50	-36.3	172.5	-175.7	66.9	0	0	0	113.5	R244 V247 R248 C251 V392 D546 L549 V550 L553 H574	R244-W576 HydrophobicContact CG-CZ2 3.86Å; V247-W576 HydrophobicContact CG1-CH2 4.24Å; R248-W576 HydrophobicContact CB-CH2 4.09Å; R248-W576 HydrophobicContact CB-CZ2 4.38Å; R248-W576 HydrophobicContact CB-CZ3 4.35Å; R248-W576 PolarHBondContact NE-O 2.78Å; R248-W576 VanDerWaalsContact NH2-CD1 3.31Å; R248-W576 VanDerWaalsContact NH2-NE1 3.13Å; R248-W576 PolarHBondContact NH2-O 3.42Å; C251-W576 HydrophobicContact CB-CZ3 4.45Å; V392-W576 HydrophobicContact CG1-CH2 4.4Å; D546-W576 PolarHBondContact OD1-NE1 2.94Å; L549-W576 HydrophobicContact CB-CB 3.97Å; L549-W576 HydrophobicContact CB-CG 4.35Å; V550-W576 HydrophobicContact CB-CG 4.44Å; V550-W576 HydrophobicContact CB-CZ2 4.46Å; V550-W576 HydrophobicContact CG2-CD2 4.21Å; V550-W576 HydrophobicContact CG2-CH2 4.4Å; V550-W576 HydrophobicContact CG2-CZ2 3.72Å; L553-W576 HydrophobicContact CD2-CD2 4.2Å; L553-W576 HydrophobicContact CD2-CE3 3.49Å; L553-W576 VanDerWaalsContact CD2-CE3 3.49Å; L553-W576 HydrophobicContact CD2-CZ3 3.98Å; H574-W576 VanDerWaalsContact ND1-CB 3.28Å; H574-W576 WeakPolarHBondContact ND1-CB 3.49Å; H574-W576 PolarHBondContact ND1-N 3.38Å; H574-W576 PolarHBondContact O-N 2.7Å
577	F	93	Very high	82.3	Confident	5 Å²	5	58.6 Å²	58.6	2%	0.022	31%	0.307	C	S	.	.	H	α-helix	trans	-70.8	-31.7	-179.3	-71.7	-75.3	0	0	0	113.4	R248 C251 Y252 L255 F388 L553 A571 H574 P575	R248-F577 WeakPolarHBondContact CD-O 3.35Å; R248-F577 HydrophobicContact CG-CD1 3.92Å; R248-F577 WeakPolarHBondContact O-CE1 3.42Å; C251-F577 HydrophobicContact CB-CE1 4.13Å; C251-F577 HydrophobicContact CB-CZ 4.3Å; Y252-F577 HydrophobicContact CD2-CD1 4.09Å; Y252-F577 HydrophobicContact CD2-CG 4.31Å; L255-F577 HydrophobicContact CD1-CE2 3.64Å; L255-F577 HydrophobicContact CD1-CZ 3.54Å; F388-F577 HydrophobicContact CZ-CZ 4.47Å; L553-F577 HydrophobicContact CD2-CE2 3.93Å; L553-F577 HydrophobicContact CD2-CZ 4.16Å; A571-F577 WeakPolarHBondContact O-CD2 3.35Å; A571-F577 VanDerWaalsContact O-CE2 3.23Å; A571-F577 WeakPolarHBondContact O-CE2 3.49Å; H574-F577 HydrophobicContact CB-CD2 4.14Å; H574-F577 HydrophobicContact CB-CE2 4.39Å; H574-F577 PolarHBondContact O-N 3Å; P575-F577 PolarHBondContact O-N 2.81Å; P575-F577 VanDerWaalsContact O-N 3.16Å
578	N	85.1	Confident	79.7	Confident	88 Å²	88	60.5 Å²	60.5	47%	0.471	34%	0.337	S	S	.	.	H	α-helix	trans	-92.4	-22.5	-178.5	-65.8	-17.9	0	0	0	113.3	P575 F580 Y581 N582	P575-N578 PolarHBondContact O-N 2.76Å; P575-N578 VanDerWaalsContact O-N 3.09Å; N578-F580 VanDerWaalsContact C-N 3.3Å; N578-F580 PolarHBondContact O-N 3Å; N578-F580 VanDerWaalsContact O-N 3.14Å; N578-Y581 PolarHBondContact O-N 2.83Å; N578-N582 PolarHBondContact O-N 2.69Å; N578-N582 VanDerWaalsContact O-N 3.1Å; N578-N582 PolarHBondContact O-OD1 2.81Å
579	H	84.9	Confident	77.2	Confident	13 Å²	13	62.5 Å²	62.5	6%	0.06	35%	0.345	C	S	.	.	H	α-helix	trans	-46.9	-45	-176.1	-179.8	76	0	0	0	114.7	Y542 Q545 L549 P575 Y581 N583	Y542-H579 AromaticContact CD2-NE2 3.56Å; Y542-H579 AromaticContact CE2-CD2 3.55Å; Y542-H579 AromaticContact CE2-NE2 3.27Å; Y542-H579 VanDerWaalsContact CE2-NE2 3.27Å; Y542-H579 WeakPolarHBondContact CE2-NE2 3.35Å; Y542-H579 AromaticContact CZ-CD2 3.71Å; Y542-H579 AromaticContact CZ-NE2 3.68Å; Q545-H579 VanDerWaalsContact CB-CE1 3.45Å; Q545-H579 WeakPolarHBondContact CB-CE1 3.4Å; Q545-H579 PolarHBondContact OE1-CE1 3.36Å; L549-H579 HydrophobicContact CD1-CB 3.76Å; P575-H579 PolarHBondContact O-N 2.68Å; H579-Y581 PolarHBondContact O-N 2.7Å; H579-N583 PolarHBondContact CE1-ND2 2.91Å; H579-N583 PolarHBondContact O-N 2.87Å
580	F	75.8	Confident	74.5	Confident	25 Å²	25	69.3 Å²	69.3	11%	0.11	37%	0.365	C	S	.	.	H	α-helix	trans	-65.2	-38.9	178.8	176.2	-114.2	0	0	0	113.1	D245 N578 K584	D245-F580 HydrophobicContact CB-CD1 4.39Å; D245-F580 HydrophobicContact CB-CE1 4.27Å; D245-F580 HydrophobicContact CB-CZ 4.38Å; D245-F580 WeakPolarHBondContact OD1-CD1 3.47Å; D245-F580 WeakPolarHBondContact OD1-CE1 3.22Å; N578-F580 VanDerWaalsContact C-N 3.3Å; N578-F580 PolarHBondContact O-N 3Å; N578-F580 VanDerWaalsContact O-N 3.14Å; F580-K584 HydrophobicContact CE1-CD 4.29Å; F580-K584 HydrophobicContact CZ-CD 4.35Å; F580-K584 WeakPolarHBondContact O-CB 3.49Å; F580-K584 PolarHBondContact O-N 3.1Å
581	Y	72.6	Confident	71.7	Confident	129 Å²	129	68.4 Å²	68.4	51%	0.506	38%	0.376	S	S	.	.	H	α-helix	trans	-72.4	-40.5	-178.8	-66.2	-77.4	0	0	0	111.6	N578 H579 N583 K584	N578-Y581 PolarHBondContact O-N 2.83Å; H579-Y581 PolarHBondContact O-N 2.7Å; Y581-N583 VanDerWaalsContact C-N 3.3Å; Y581-N583 PolarHBondContact O-N 3.11Å; Y581-K584 WeakPolarHBondContact O-CB 3.48Å; Y581-K584 PolarHBondContact O-N 2.9Å
582	N	72.3	Confident	68.6	Low	110 Å²	110	74.2 Å²	74.2	59%	0.588	40%	0.403	S	S	*	.	H	α-helix	trans	-63.1	-35.3	179.2	-65.8	6.2	0	0	0	112.4	N578 S585	N578-N582 PolarHBondContact O-N 2.69Å; N578-N582 VanDerWaalsContact O-N 3.1Å; N578-N582 PolarHBondContact O-OD1 2.81Å; N582-S585 PolarHBondContact O-OG 2.79Å
583	N	68.8	Low	65.7	Low	37 Å²	37	76.7 Å²	76.7	20%	0.198	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	0.7	-179.1	-71.5	-21.6	0	0	0	114.2	Y542 H579 Y581 S585 S586 I587	Y542-N583 HydrophobicContact CD2-CB 3.86Å; Y542-N583 HydrophobicContact CE2-CB 3.9Å; H579-N583 PolarHBondContact CE1-ND2 2.91Å; H579-N583 PolarHBondContact O-N 2.87Å; Y581-N583 VanDerWaalsContact C-N 3.3Å; Y581-N583 PolarHBondContact O-N 3.11Å; N583-S585 VanDerWaalsContact C-N 3.26Å; N583-S585 PolarHBondContact O-N 3.21Å; N583-S586 PolarHBondContact O-OG 2.81Å; N583-I587 PolarHBondContact O-N 3.21Å
584	K	64.1	Low	62.8	Low	121 Å²	121	77 Å²	77	53%	0.526	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-12.4	-178.4	-156.8	176.8	179.1	-175.4	0	113.9	F580 Y581	F580-K584 HydrophobicContact CE1-CD 4.29Å; F580-K584 HydrophobicContact CZ-CD 4.35Å; F580-K584 WeakPolarHBondContact O-CB 3.49Å; F580-K584 PolarHBondContact O-N 3.1Å; Y581-K584 WeakPolarHBondContact O-CB 3.48Å; Y581-K584 PolarHBondContact O-N 2.9Å
585	S	53	Low	59.6	Low	110 Å²	110	80.5 Å²	80.5	77%	0.769	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-26.9	177.5	48.7	0	0	0	0	113.3	N582 N583	N582-S585 PolarHBondContact O-OG 2.79Å; N583-S585 VanDerWaalsContact C-N 3.26Å; N583-S585 PolarHBondContact O-N 3.21Å
586	S	50.1	Low	56.3	Low	80 Å²	80	84.7 Å²	84.7	56%	0.559	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-48.3	177.9	46.2	0	0	0	0	112	N583	N583-S586 PolarHBondContact O-OG 2.81Å
587	I	49.5	Very low	52.9	Low	20 Å²	20	88.8 Å²	88.8	10%	0.103	47%	0.465	C	S	.	.	S	Bend	trans	-93.1	126.4	-177.6	-53.7	173.1	0	0	0	109.3	E538 Y542 N583 F589	E538-I587 HydrophobicContact CB-CG1 4.47Å; Y542-I587 HydrophobicContact CD2-CD1 3.94Å; Y542-I587 HydrophobicContact CG-CD1 4.06Å; N583-I587 PolarHBondContact O-N 3.21Å; I587-F589 HydrophobicContact CB-CD2 3.87Å; I587-F589 HydrophobicContact CB-CE2 4.23Å; I587-F589 HydrophobicContact CD1-CE2 4.36Å; I587-F589 HydrophobicContact CG2-CD2 3.51Å; I587-F589 HydrophobicContact CG2-CE2 3.64Å; I587-F589 HydrophobicContact CG2-CG 4.29Å; I587-F589 HydrophobicContact CG2-CZ 4.49Å; I587-F589 PolarHBondContact O-N 2.91Å
588	G	42.9	Very low	49.8	Very low	78 Å²	78	91.9 Å²	91.9	80%	0.804	48%	0.48	S	S	*	.			trans	-70.4	58.2	-176.2	0	0	0	0	0	114.9	R590	G588-R590 PolarHBondContact O-N 2.98Å
589	F	44.1	Very low	47	Very low	46 Å²	46	93 Å²	93	20%	0.202	48%	0.483	C	S	.	.			trans	-72.9	81.1	-160.2	-116.8	-57.1	0	0	0	115.1	I587 S591 L593	I587-F589 HydrophobicContact CB-CD2 3.87Å; I587-F589 HydrophobicContact CB-CE2 4.23Å; I587-F589 HydrophobicContact CD1-CE2 4.36Å; I587-F589 HydrophobicContact CG2-CD2 3.51Å; I587-F589 HydrophobicContact CG2-CE2 3.64Å; I587-F589 HydrophobicContact CG2-CG 4.29Å; I587-F589 HydrophobicContact CG2-CZ 4.49Å; I587-F589 PolarHBondContact O-N 2.91Å; F589-S591 PolarHBondContact O-N 2.99Å; F589-L593 HydrophobicContact CE1-CB 4.33Å; F589-L593 HydrophobicContact CE1-CD1 3.91Å; F589-L593 HydrophobicContact CE1-CG 3.71Å; F589-L593 HydrophobicContact CE2-CD1 4.38Å; F589-L593 HydrophobicContact CZ-CD1 3.57Å; F589-L593 HydrophobicContact CZ-CG 3.65Å
590	R	37.5	Very low	44.4	Very low	219 Å²	219	95.4 Å²	95.4	83%	0.826	50%	0.498	S	S	*	.			trans	-68.7	62.9	160.8	-88.8	-174.1	160.3	-173.2	-3.5	111.8	G588 Q592	G588-R590 PolarHBondContact O-N 2.98Å; R590-Q592 WeakPolarHBondContact O-CB 3.4Å; R590-Q592 WeakPolarHBondContact O-CG 3.41Å; R590-Q592 PolarHBondContact O-N 2.86Å
591	S	37.9	Very low	42	Very low	117 Å²	117	98.6 Å²	98.6	82%	0.818	52%	0.523	S	S	*	.	S	Bend	trans	47.3	9.2	161.6	59.2	0	0	0	0	119.8	F589	F589-S591 PolarHBondContact O-N 2.99Å
592	Q	33.1	Very low	39.9	Very low	121 Å²	121	99.7 Å²	99.7	57%	0.565	53%	0.531	S	S	*	.			trans	-108.1	41.8	-169	-75.9	-165.9	63.5	0	0	114.4	R590 R594	R590-Q592 WeakPolarHBondContact O-CB 3.4Å; R590-Q592 WeakPolarHBondContact O-CG 3.41Å; R590-Q592 PolarHBondContact O-N 2.86Å; Q592-R594 PolarHBondContact O-N 2.92Å
593	L	32.1	Very low	37.7	Very low	66 Å²	66	104.4 Å²	104.4	35%	0.346	55%	0.546	S	S	.	.			trans	-66.9	76.5	151.7	-96.8	166	0	0	0	108.4	Y542 F589 V595	Y542-L593 HydrophobicContact CD1-CD1 4.31Å; Y542-L593 HydrophobicContact CE1-CD1 3.89Å; F589-L593 HydrophobicContact CE1-CB 4.33Å; F589-L593 HydrophobicContact CE1-CD1 3.91Å; F589-L593 HydrophobicContact CE1-CG 3.71Å; F589-L593 HydrophobicContact CE2-CD1 4.38Å; F589-L593 HydrophobicContact CZ-CD1 3.57Å; F589-L593 HydrophobicContact CZ-CG 3.65Å; L593-V595 PolarHBondContact O-N 3.41Å
594	R	33.3	Very low	35.7	Very low	143 Å²	143	106.4 Å²	106.4	54%	0.54	57%	0.568	S	S	.	*			trans	-81.2	65.2	-161.7	-166.5	175.6	177.6	-178.6	-3.9	111.3	Q592 R596 E599	Q592-R594 PolarHBondContact O-N 2.92Å; R594-R596 PolarHBondContact O-N 2.88Å; R594-E599 IonicContact NH2-OE1 3.87Å; R594-E599 PolarHBondContact NH2-OE1 3.01Å
595	V	30.6	Very low	34	Very low	88 Å²	88	106.4 Å²	106.4	53%	0.533	58%	0.58	S	S	.	*	S	Bend	trans	-66.4	72.9	157.1	-175.2	0	0	0	0	107.8	L593 S597	L593-V595 PolarHBondContact O-N 3.41Å; V595-S597 PolarHBondContact O-N 2.88Å
596	R	25.8	Very low	32.7	Very low	163 Å²	163	108.6 Å²	108.6	62%	0.615	58%	0.583	S	S	*	*			trans	9.5	74.8	-171.5	-78.4	-177.1	166.7	140.6	-3.1	114.6	R594 M598	R594-R596 PolarHBondContact O-N 2.88Å; R596-M598 PolarHBondContact O-N 3.33Å
597	S	24.7	Very low	31.7	Very low	86 Å²	86	112 Å²	112	60%	0.601	60%	0.595	S	S	*	*			trans	-49.8	123.7	157.7	46.6	0	0	0	0	108	V595 E599	V595-S597 PolarHBondContact O-N 2.88Å; S597-E599 PolarHBondContact O-N 3.22Å
598	M	28.6	Very low	30.6	Very low	69 Å²	69	116.6 Å²	116.6	34%	0.34	63%	0.629	S	S	.	*			trans	-61.9	130	-168.6	-68.3	-153.7	-57.7	0	0	111.1	K238 R596 V600	K238-M598 HydrophobicContact CD-SD 3.72Å; K238-M598 WeakPolarHBondContact CE-SD 3.36Å; K238-M598 HydrophobicContact CG-SD 4.33Å; K238-M598 PolarHBondContact NZ-SD 3.2Å; R596-M598 PolarHBondContact O-N 3.33Å; M598-V600 HydrophobicContact CB-CG2 3.82Å; M598-V600 HydrophobicContact CE-CG2 4.2Å; M598-V600 WeakPolarHBondContact O-CG2 2.77Å; M598-V600 PolarHBondContact O-N 3.19Å
599	E	25.8	Very low	30	Very low	112 Å²	112	121.7 Å²	121.7	52%	0.523	63%	0.629	S	S	.	*			trans	-69.7	81.2	164.8	-74.3	173.5	-164.4	0	0	109.3	R594 S597 S601 K602	R594-E599 IonicContact NH2-OE1 3.87Å; R594-E599 PolarHBondContact NH2-OE1 3.01Å; S597-E599 PolarHBondContact O-N 3.22Å; E599-S601 PolarHBondContact O-N 3.09Å; E599-K602 IonicContact OE2-NZ 3.59Å; E599-K602 PolarHBondContact OE2-NZ 3.48Å
600	V	30.5	Very low	29.4	Very low	64 Å²	64	125.7 Å²	125.7	39%	0.388	65%	0.652	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79	33.1	174.7	-157.1	0	0	0	0	111.2	M598	M598-V600 HydrophobicContact CB-CG2 3.82Å; M598-V600 HydrophobicContact CE-CG2 4.2Å; M598-V600 WeakPolarHBondContact O-CG2 2.77Å; M598-V600 PolarHBondContact O-N 3.19Å
601	S	25.8	Very low	29.1	Very low	91 Å²	91	118.7 Å²	118.7	64%	0.636	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	-4.7	-178	52.5	0	0	0	0	113.8	E599	E599-S601 PolarHBondContact O-N 3.09Å
602	K	28.3	Very low	28.7	Very low	153 Å²	153	119.6 Å²	119.6	67%	0.665	64%	0.636	S	S	*	*	S	Bend	trans	-105.1	4.2	-174.7	-69.1	178.5	176.2	160.6	0	115.3	E599	E599-K602 IonicContact OE2-NZ 3.59Å; E599-K602 PolarHBondContact OE2-NZ 3.48Å
603	F	25.5	Very low	28.6	Very low	209 Å²	209	120.3 Å²	120.3	92%	0.917	64%	0.64	S	S	*	*	S	Bend	trans	-143.1	43.7	-179.6	-75.2	-76.1	0	0	0	113.2
604	A	26	Very low	28.6	Very low	78 Å²	78	122.5 Å²	122.5	65%	0.645	65%	0.651	S	S	*	*			trans	-121.8	119.1	167.4	0	0	0	0	0	108.9	N606	A604-N606 PolarHBondContact O-N 3Å
605	P	29.2	Very low	28.5	Very low	121 Å²	121	122 Å²	122	79%	0.786	66%	0.659	S	S	*	*			trans	-71.7	121	177.7	28.4	-32.6	0	0	0	110.6	N607	P605-N607 PolarHBondContact O-N 3.38Å
606	N	26.3	Very low	28.3	Very low	156 Å²	156	126.2 Å²	126.2	83%	0.834	67%	0.673	S	S	*	*	S	Bend	trans	9.4	90.5	164.8	-61.2	-8.4	0	0	0	117.3	A604	A604-N606 PolarHBondContact O-N 3Å
607	N	28.1	Very low	28.4	Very low	152 Å²	152	128.1 Å²	128.1	81%	0.813	68%	0.68	S	S	*	*			trans	-143.3	56.2	159.2	-117.6	-34.6	0	0	0	111.7	P605 K609	P605-N607 PolarHBondContact O-N 3.38Å; N607-K609 VanDerWaalsContact C-N 3.34Å; N607-K609 PolarHBondContact O-N 2.8Å
608	S	26.1	Very low	28.5	Very low	116 Å²	116	134.6 Å²	134.6	81%	0.811	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	76.4	-177.6	56	0	0	0	0	112.4
609	K	31.9	Very low	28.4	Very low	185 Å²	185	138.5 Å²	138.5	80%	0.804	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.4	-34.7	163.4	-115.1	167.2	-174.8	178.2	0	115	N607	N607-K609 VanDerWaalsContact C-N 3.34Å; N607-K609 PolarHBondContact O-N 2.8Å
610	L	30.9	Very low	28.3	Very low	130 Å²	130	140.2 Å²	140.2	68%	0.681	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-16.4	-175.6	-158.4	68.2	0	0	0	114.5	N612	L610-N612 PolarHBondContact O-N 3.04Å
611	A	30.3	Very low	28	Very low	72 Å²	72	145.8 Å²	145.8	60%	0.595	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-19.5	-174.4	0	0	0	0	0	114.6
612	N	30.2	Very low	28.1	Very low	136 Å²	136	149.2 Å²	149.2	73%	0.727	76%	0.758	S	S	*	*	S	Bend	trans	-96.3	-22.2	-171	-69.8	14.7	0	0	0	113.9	L610	L610-N612 PolarHBondContact O-N 3.04Å
613	E	30.3	Very low	28.1	Very low	137 Å²	137	150.8 Å²	150.8	64%	0.64	77%	0.767	S	S	*	*	S	Bend	trans	-83.1	-12.5	-176.4	-67.6	-170.1	114.5	0	0	114.3
614	I	33.1	Very low	28.3	Very low	112 Å²	112	152 Å²	152	57%	0.574	77%	0.766	S	S	*	*	S	Bend	trans	-86	-27	-176.7	-62.5	178	0	0	0	112	E616	I614-E616 PolarHBondContact O-N 3.28Å
615	N	30.2	Very low	28.4	Very low	133 Å²	133	156.5 Å²	156.5	71%	0.711	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-10.7	-172.3	-88.1	3.7	0	0	0	115.9
616	E	27.8	Very low	28.4	Very low	175 Å²	175	153.9 Å²	153.9	82%	0.818	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	5.4	-173.6	-66.8	-157.1	150.4	0	0	115.5	I614	I614-E616 PolarHBondContact O-N 3.28Å
617	R	26.3	Very low	28.5	Very low	203 Å²	203	155.5 Å²	155.5	77%	0.766	78%	0.776	S	S	*	*	S	Bend	trans	-113.2	1.1	-173.6	-68.8	-165.9	-179	175.8	6.3	117.5
618	Y	27.5	Very low	28.5	Very low	223 Å²	223	157.6 Å²	157.6	88%	0.875	78%	0.781	S	S	*	*	S	Bend	trans	-129.1	41.8	177.6	-70.7	-75.8	0	0	0	113
619	L	25.8	Very low	28.5	Very low	150 Å²	150	156.8 Å²	156.8	79%	0.785	78%	0.775	S	S	*	*			trans	-115.2	18.5	180	-115.3	169.4	0	0	0	113.9
620	I	24.7	Very low	28.4	Very low	148 Å²	148	155.6 Å²	155.6	76%	0.759	78%	0.777	S	S	*	*			trans	-139.8	94.8	175.7	-51.1	176.7	0	0	0	109.5
621	H	24.6	Very low	28.4	Very low	182 Å²	182	156.5 Å²	156.5	84%	0.843	78%	0.782	S	S	*	*			trans	167.8	89.9	136.6	-98.6	-74.1	0	0	0	110.4
622	D	26.4	Very low	28.1	Very low	163 Å²	163	161.7 Å²	161.7	87%	0.872	79%	0.792	S	S	*	*			trans	-157.3	63.9	152.8	-136.5	-7.4	0	0	0	110.2	R624	D622-R624 PolarHBondContact O-N 3.39Å
623	H	29.7	Very low	28.2	Very low	186 Å²	186	162.4 Å²	162.4	86%	0.861	80%	0.795	S	S	*	*			trans	-80.1	113.8	175.7	-105.2	-76.1	0	0	0	109.8	N625	H623-N625 PolarHBondContact O-N 3.38Å
624	R	29.3	Very low	28.3	Very low	235 Å²	235	162.1 Å²	162.1	89%	0.887	81%	0.809	S	S	*	*			trans	-53.4	120.4	178.1	-63.3	173.3	177.1	172.1	-3.3	111.7	D622 G626	D622-R624 PolarHBondContact O-N 3.39Å; R624-G626 VanDerWaalsContact C-N 3.32Å; R624-G626 PolarHBondContact O-N 3.01Å; R624-G626 VanDerWaalsContact O-N 3.09Å
625	N	27.9	Very low	27.9	Very low	171 Å²	171	164.4 Å²	164.4	91%	0.914	82%	0.821	S	S	*	*			trans	-75.5	89.9	155.9	-86.9	-16.6	0	0	0	108.7	H623	H623-N625 PolarHBondContact O-N 3.38Å
626	G	28.4	Very low	28	Very low	66 Å²	66	165.3 Å²	165.3	68%	0.68	82%	0.821	S	S	*	*			trans	-127.1	89.5	169.3	0	0	0	0	0	108.8	R624 E628	R624-G626 VanDerWaalsContact C-N 3.32Å; R624-G626 PolarHBondContact O-N 3.01Å; R624-G626 VanDerWaalsContact O-N 3.09Å; G626-E628 PolarHBondContact O-N 3.04Å
627	H	28.4	Very low	28.2	Very low	190 Å²	190	164.4 Å²	164.4	88%	0.88	81%	0.814	S	S	*	*			trans	-73.4	107	174	-106.6	-96.9	0	0	0	109.3
628	E	29	Very low	28.5	Very low	196 Å²	196	161.5 Å²	161.5	92%	0.916	81%	0.812	S	S	*	*			trans	-142.9	146.4	150.3	-132.3	163.5	-136.6	0	0	109.4	G626	G626-E628 PolarHBondContact O-N 3.04Å
629	S	26.9	Very low	28.4	Very low	99 Å²	99	158.8 Å²	158.8	69%	0.692	81%	0.813	S	S	*	*			trans	-127.3	167	-168.6	65.3	0	0	0	0	110.1
630	L	28.6	Very low	28.6	Very low	160 Å²	160	154.8 Å²	154.8	84%	0.838	81%	0.808	S	S	*	*			trans	80.5	136.4	-164.6	-48.4	162	0	0	0	111.5
631	N	30.2	Very low	28.9	Very low	149 Å²	149	157.1 Å²	157.1	80%	0.797	81%	0.813	S	S	*	*			cis	-125	159.2	4.5	-108.1	-29.5	0	0	0	113.3
632	K	25.6	Very low	29.1	Very low	182 Å²	182	153.4 Å²	153.4	79%	0.791	81%	0.806	S	S	*	*			trans	-79.1	144.7	162.5	-56.6	170.5	-177.2	169.3	0	108.5
633	D	30.9	Very low	29.1	Very low	150 Å²	150	151.6 Å²	151.6	80%	0.802	80%	0.797	S	S	*	*				153.1	97.7	124.5	-79.4	-12.8	0	0	0	112.7
634	S	33.2	Very low	29.2	Very low	132 Å²	132	149.9 Å²	149.9	92%	0.923	79%	0.794	S	S	*	*			trans	-170.6	104.8	143.9	-85.7	0	0	0	0	108.8
635	L	25.1	Very low	29.2	Very low	159 Å²	159	141.9 Å²	141.9	83%	0.832	79%	0.785	S	S	*	*			trans	-114.7	114.8	-172.6	-175.6	112.8	0	0	0	110.3
636	H	31.5	Very low	29.4	Very low	153 Å²	153	145.3 Å²	145.3	71%	0.708	79%	0.785	S	S	*	*			trans	171.7	144.4	156.4	-91	2.4	0	0	0	109.4
637	K	32.3	Very low	29.4	Very low	156 Å²	156	153.7 Å²	153.7	68%	0.678	80%	0.796	S	S	*	*			cis	-153.7	138.9	5.9	-120.4	167.7	-176.2	175.6	0	111.4
638	I	31.4	Very low	29.5	Very low	141 Å²	141	154.9 Å²	154.9	72%	0.723	80%	0.799	S	S	*	*			trans	54.4	110.9	143.8	-61.9	165	0	0	0	117.5
639	N	25.8	Very low	29.4	Very low	166 Å²	166	151.8 Å²	151.8	89%	0.888	79%	0.793	S	S	*	*				75.3	124.7	61.2	-82.3	-11.6	0	0	0	117.3
640	G	29.7	Very low	29.5	Very low	67 Å²	67	152.1 Å²	152.1	69%	0.691	80%	0.795	S	S	*	*			trans	133.7	130.5	168.4	0	0	0	0	0	112.5
641	F	30.9	Very low	29.6	Very low	196 Å²	196	155.3 Å²	155.3	86%	0.86	80%	0.796	S	S	*	*			cis	-148.3	156.5	-2.9	-119.5	-97.1	0	0	0	111.5
642	C	29	Very low	29.4	Very low	104 Å²	104	154.8 Å²	154.8	70%	0.703	79%	0.793	S	S	*	*			trans	-10.5	167.8	158.4	-62.9	0	0	0	0	123.6
643	N	28.2	Very low	29.4	Very low	126 Å²	126	152 Å²	152	67%	0.674	79%	0.786	S	S	*	*			cis	179.3	157.7	-26.8	-156.7	-2.2	0	0	0	109.9
644	N	29.9	Very low	29.2	Very low	149 Å²	149	151.4 Å²	151.4	80%	0.797	78%	0.782	S	S	*	*			trans	63.9	154.7	167.5	-53.3	-55.2	0	0	0	117.6
645	G	30.7	Very low	29	Very low	67 Å²	67	152 Å²	152	69%	0.691	77%	0.774	S	S	*	*			cis	168.3	145.5	-5.1	0	0	0	0	0	108.6
646	R	31.2	Very low	29.1	Very low	243 Å²	243	150.5 Å²	150.5	92%	0.917	77%	0.767	S	S	*	*				-173.6	130.9	70.9	-78.8	167.9	171.9	173	-3.3	108.4
647	R	28.4	Very low	29	Very low	242 Å²	242	149.7 Å²	149.7	91%	0.913	77%	0.768	S	S	*	*				45.4	120.3	99	-70.5	-172.7	177.5	-179.1	-0.2	118
648	K	30.5	Very low	28.9	Very low	216 Å²	216	149.7 Å²	149.7	94%	0.939	77%	0.77	S	S	*	*				-158.8	147	120.1	-109.8	176.5	-178.1	-177.8	0	111.9
649	T	26.9	Very low	28.6	Very low	131 Å²	131	149.3 Å²	149.3	80%	0.804	77%	0.769	S	S	*	*			trans	-130.9	-178.4	-171.3	51.5	0	0	0	0	112.9
650	S	29.6	Very low	28.7	Very low	105 Å²	105	148 Å²	148	73%	0.734	77%	0.766	S	S	*	*			trans	95.7	141.7	168	-43.4	0	0	0	0	114.5
651	R	30	Very low	28.4	Very low	228 Å²	228	150.3 Å²	150.3	86%	0.86	76%	0.763	S	S	*	*			cis	-119	173.8	2.9	-84.3	-168.3	168.8	117.3	-3.4	110.3
652	L	26.7	Very low	28.2	Very low	137 Å²	137	150.5 Å²	150.5	72%	0.717	76%	0.763	S	S	*	*			cis	73.8	133.7	33.3	-53	170.1	0	0	0	114
653	N	26.6	Very low	27.9	Very low	123 Å²	123	152.3 Å²	152.3	66%	0.658	77%	0.766	S	S	*	*			cis	-165.9	154.9	6.8	-132.6	1.4	0	0	0	114.5
654	L	25.6	Very low	28	Very low	138 Å²	138	153.6 Å²	153.6	72%	0.723	77%	0.772	S	S	*	*			trans	63	159.5	152.8	-64.3	158	0	0	0	118.3
655	I	29.7	Very low	27.7	Very low	146 Å²	146	152.4 Å²	152.4	75%	0.749	77%	0.77	S	S	*	*			cis	-140.3	147	23.2	-68.7	171.6	0	0	0	112.2
656	N	26.9	Very low	27.8	Very low	126 Å²	126	155.3 Å²	155.3	67%	0.674	78%	0.776	S	S	*	*			trans	13.2	145.4	155	-46.2	-1.8	0	0	0	121.2
657	N	30	Very low	27.7	Very low	137 Å²	137	150.9 Å²	150.9	73%	0.733	77%	0.771	S	S	*	*				-167.4	174.6	60	-124.4	-9.6	0	0	0	115.5
658	H	29.9	Very low	27.6	Very low	156 Å²	156	146.7 Å²	146.7	72%	0.722	77%	0.767	S	S	*	*			trans	-40.2	145.4	-177.3	-65.4	-86.5	0	0	0	118.6
659	L	23.7	Very low	27.5	Very low	133 Å²	133	145.7 Å²	145.7	70%	0.696	76%	0.763	S	S	*	*			cis	93.8	97.5	40.3	-148.1	-171.6	0	0	0	114.2
660	V	28.7	Very low	27.6	Very low	137 Å²	137	147.1 Å²	147.1	83%	0.83	76%	0.764	S	S	*	*			trans	-147.9	134.8	146.5	178.4	0	0	0	0	107.7
661	N	24.1	Very low	27.6	Very low	117 Å²	117	148 Å²	148	63%	0.626	76%	0.764	S	S	*	*			trans	-104.6	157.9	174	-64.6	1.9	0	0	0	110.8
662	F	26.5	Very low	27.4	Very low	199 Å²	199	144.2 Å²	144.2	87%	0.873	76%	0.761	S	S	*	*			trans	-157.4	111.5	136.6	-104.1	-67.1	0	0	0	111.1
663	D	22.5	Very low	27.6	Very low	142 Å²	142	144.7 Å²	144.7	76%	0.759	76%	0.764	S	S	*	*			trans	-94.2	141.3	166.1	-69.6	-68.2	0	0	0	109.7
664	I	29.5	Very low	27.6	Very low	154 Å²	154	143.1 Å²	143.1	79%	0.79	76%	0.763	S	S	*	*			trans	-135.8	111.3	164.3	-59.1	-177.5	0	0	0	109.5
665	T	25.2	Very low	27.6	Very low	124 Å²	124	144.7 Å²	144.7	76%	0.761	77%	0.769	S	S	*	*			trans	-111.1	125.7	170.8	50.4	0	0	0	0	110.3
666	P	32.7	Very low	27.5	Very low	127 Å²	127	148.3 Å²	148.3	83%	0.825	77%	0.773	S	S	*	*			trans	-91.2	111.4	171	32.3	-28.8	0	0	0	110.2
667	N	28.3	Very low	27.6	Very low	150 Å²	150	148.4 Å²	148.4	80%	0.802	77%	0.774	S	S	*	*			trans	-99.4	144.2	171.3	-121.9	-12.5	0	0	0	110.4
668	N	27.1	Very low	27.5	Very low	154 Å²	154	147.8 Å²	147.8	82%	0.824	77%	0.77	S	S	*	*			trans	-67.6	145.8	172.4	-63.5	-55.2	0	0	0	110.4
669	F	28.3	Very low	27.7	Very low	195 Å²	195	148.6 Å²	148.6	86%	0.855	77%	0.774	S	S	*	*			trans	-136.2	147.6	153.6	-104.1	-80	0	0	0	111.9
670	I	28.2	Very low	27.9	Very low	162 Å²	162	149.9 Å²	149.9	83%	0.831	78%	0.777	S	S	*	*			trans	-87.6	147.9	179.3	-66.5	167.3	0	0	0	108.5
671	V	28.7	Very low	28.1	Very low	122 Å²	122	149.1 Å²	149.1	74%	0.739	77%	0.772	S	S	*	*			trans	-95.6	121.6	174.5	178.4	0	0	0	0	109.1
672	D	27.2	Very low	28.4	Very low	150 Å²	150	149.6 Å²	149.6	80%	0.802	78%	0.775	S	S	*	*				-163.4	152.5	123.3	-103	-13.2	0	0	0	112.5
673	D	29.7	Very low	28.6	Very low	146 Å²	146	145.9 Å²	145.9	78%	0.781	77%	0.768	S	S	*	*			trans	-32.1	159.7	179.3	-77.6	-18.8	0	0	0	121.3
674	S	27.4	Very low	29	Very low	91 Å²	91	148.1 Å²	148.1	64%	0.636	77%	0.771	S	S	*	*			cis	-173.5	168.3	-16	60.3	0	0	0	0	113.8
675	M	26	Very low	29.2	Very low	171 Å²	171	146.2 Å²	146.2	84%	0.842	77%	0.769	S	S	*	*			trans	76.1	142.6	150.1	-74.2	-65.5	167.4	0	0	123.4
676	R	27.8	Very low	29.4	Very low	221 Å²	221	145.5 Å²	145.5	83%	0.834	77%	0.768	S	S	*	*			trans	84.3	140.3	172.9	-60.9	-166.8	164	175	-4.6	116.5
677	N	28.9	Very low	29.2	Very low	128 Å²	128	147.5 Å²	147.5	68%	0.684	77%	0.768	S	S	*	*			cis	-155.2	-174.9	1.5	-132.9	48.5	0	0	0	111.3
678	N	28.2	Very low	29.4	Very low	124 Å²	124	145.7 Å²	145.7	66%	0.663	76%	0.762	S	S	*	*				-157.1	125.5	-92.1	-87.8	8.9	0	0	0	110.3
679	H	33	Very low	29.5	Very low	174 Å²	174	145.6 Å²	145.6	81%	0.806	76%	0.762	S	S	*	*			trans	-150.3	137.6	168	-84.8	-86.1	0	0	0	109
680	E	28.9	Very low	29.6	Very low	160 Å²	160	140.3 Å²	140.3	75%	0.748	75%	0.754	S	S	*	*			cis	171.6	154.7	-1.4	-108.5	-175.2	140.3	0	0	104.1
681	T	32.7	Very low	29.7	Very low	120 Å²	120	141.5 Å²	141.5	74%	0.736	76%	0.757	S	S	*	*			cis	-147.6	168.9	-8.7	33.2	0	0	0	0	107.1
682	D	29.6	Very low	29.8	Very low	127 Å²	127	140 Å²	140	68%	0.679	75%	0.752	S	S	*	*			cis	-124.5	-88.4	-12.4	164.3	43.7	0	0	0	109.1	K684	D682-K684 PolarHBondContact OD2-N 2.85Å
683	V	31.9	Very low	29.9	Very low	122 Å²	122	138.6 Å²	138.6	74%	0.739	75%	0.753	S	S	*	*			cis	-135.6	117.5	-5.1	-175.6	0	0	0	0	110.2
684	K	29.7	Very low	30.4	Very low	188 Å²	188	137.1 Å²	137.1	82%	0.817	75%	0.752	S	S	*	*			trans	69.4	116	175.7	-80.8	179.5	175.7	175.4	0	117.5	D682	D682-K684 PolarHBondContact OD2-N 2.85Å
685	P	33.1	Very low	30.5	Very low	114 Å²	114	140.5 Å²	140.5	74%	0.74	76%	0.761	S	S	*	*			trans	-118.3	172.9	177.6	42.5	-34.4	0	0	0	115.8
686	C	30.2	Very low	30.5	Very low	110 Å²	110	139 Å²	139	74%	0.743	75%	0.752	S	S	*	*			trans	-166.4	122.5	147.4	-110.8	0	0	0	0	108.7
687	M	28.4	Very low	30.5	Very low	169 Å²	169	135.5 Å²	135.5	83%	0.833	75%	0.745	S	S	*	*				66.3	130.8	92.8	-66.8	-173.1	75.1	0	0	113.9
688	V	32	Very low	30.5	Very low	112 Å²	112	137.9 Å²	137.9	68%	0.679	75%	0.752	S	S	*	*			cis	-148.1	153.5	23.5	-178.9	0	0	0	0	112.4
689	D	30.2	Very low	30.6	Very low	151 Å²	151	138.6 Å²	138.6	81%	0.807	75%	0.751	S	S	*	*			trans	-8.3	171.9	159.3	-31.6	-33.7	0	0	0	122.3
690	A	30.9	Very low	30.4	Very low	85 Å²	85	136.2 Å²	136.2	70%	0.702	74%	0.744	S	S	*	*			cis	-160	157.2	10.6	0	0	0	0	0	114.9
691	Q	30	Very low	30.4	Very low	187 Å²	187	135.7 Å²	135.7	87%	0.874	74%	0.739	S	S	*	*			trans	30.9	152	132.6	-62.6	-169.7	27.5	0	0	123.2
692	S	30	Very low	30.3	Very low	91 Å²	91	139.2 Å²	139.2	64%	0.636	74%	0.744	S	S	*	*			cis	-175.5	144.7	-8.7	52	0	0	0	0	115
693	S	28.7	Very low	30.4	Very low	119 Å²	119	138.7 Å²	138.7	83%	0.832	75%	0.746	S	S	*	*			trans	70.1	154.7	142.8	-57.4	0	0	0	0	124.5
694	P	40.9	Very low	30.3	Very low	116 Å²	116	143.8 Å²	143.8	75%	0.753	75%	0.752	S	S	*	*			trans	-129.3	168.2	-171.4	44	-29	0	0	0	117.6
695	I	28.6	Very low	30.3	Very low	161 Å²	161	142.3 Å²	142.3	83%	0.826	75%	0.748	S	S	*	*			trans	-152.3	163.5	161.8	-47.9	179.4	0	0	0	109.2
696	Q	26.3	Very low	30	Very low	141 Å²	141	143.6 Å²	143.6	66%	0.659	75%	0.748	S	S	*	*			trans	-117.6	-150.7	174.3	-40.9	90.9	-107	0	0	112.3
697	E	28.5	Very low	30	Very low	147 Å²	147	143.9 Å²	143.9	69%	0.687	75%	0.751	S	S	*	*			cis	-161.7	172.3	11	-155.1	61.2	-86.9	0	0	110.9
698	E	29.6	Very low	30.1	Very low	178 Å²	178	144.8 Å²	144.8	83%	0.832	75%	0.754	S	S	*	*			trans	63.9	158.2	165.6	-76.9	-173.7	164.6	0	0	118.5
699	E	29.6	Very low	29.8	Very low	138 Å²	138	147 Å²	147	65%	0.645	76%	0.76	S	S	*	*			cis	-147.7	177.3	-12.3	-144.3	-122.6	174.9	0	0	112.3	K701	E699-K701 IonicContact OE2-NZ 2.64Å; E699-K701 PolarHBondContact OE2-NZ 3.11Å; E699-K701 VanDerWaalsContact OE2-NZ 3.15Å
700	L	28.4	Very low	29.7	Very low	124 Å²	124	145.4 Å²	145.4	65%	0.649	76%	0.756	S	S	*	*			trans	-60.6	144.5	-171.4	-75.1	70.7	0	0	0	119.1
701	K	29.4	Very low	29.6	Very low	150 Å²	150	148.4 Å²	148.4	65%	0.652	76%	0.758	S	S	*	*				167	130.3	108.1	-88.7	153.9	-149.3	85.3	0	116.5	E699	E699-K701 IonicContact OE2-NZ 2.64Å; E699-K701 PolarHBondContact OE2-NZ 3.11Å; E699-K701 VanDerWaalsContact OE2-NZ 3.15Å
702	K	31.1	Very low	29.3	Very low	193 Å²	193	145.2 Å²	145.2	84%	0.839	75%	0.752	S	S	*	*			trans	56.9	144.5	143.6	-63.4	-176.9	179.5	177.5	0	119.7
703	T	31.2	Very low	29.3	Very low	116 Å²	116	149.7 Å²	149.7	71%	0.712	76%	0.762	S	S	*	*			cis	-164.3	146.3	1.5	5.8	0	0	0	0	111.3
704	R	28.9	Very low	29.2	Very low	230 Å²	230	152.7 Å²	152.7	87%	0.868	76%	0.763	S	S	*	*			trans	66	151.2	165.1	-66	174.9	172.8	170	-3	114.5
705	Q	30.8	Very low	28.6	Very low	157 Å²	157	155.3 Å²	155.3	73%	0.734	77%	0.765	S	S	*	*			cis	-153.5	154.6	15.5	-141.7	171.9	-1.8	0	0	112
706	N	27.7	Very low	28.6	Very low	140 Å²	140	153 Å²	153	75%	0.749	76%	0.761	S	S	*	*			trans	44.6	98.6	154.4	-61.4	-5	0	0	0	121.8
707	S	29.6	Very low	28.7	Very low	116 Å²	116	151.5 Å²	151.5	81%	0.811	77%	0.766	S	S	*	*				-172.5	84.9	129.5	49.5	0	0	0	0	113.1
708	Q	29.3	Very low	28.6	Very low	189 Å²	189	154 Å²	154	88%	0.883	77%	0.771	S	S	*	*			trans	-92.6	109.9	163.4	-97.4	-175.3	-27.4	0	0	110.1
709	I	27.5	Very low	28.4	Very low	159 Å²	159	152.5 Å²	152.5	82%	0.815	77%	0.766	S	S	*	*			trans	-97.8	96.7	163.1	-62.1	175.7	0	0	0	106.6
710	T	27.1	Very low	28.2	Very low	117 Å²	117	151.5 Å²	151.5	72%	0.718	77%	0.769	S	S	*	*			trans	-86.3	118.4	174.3	-55.5	0	0	0	0	109.1
711	I	28.1	Very low	28.1	Very low	147 Å²	147	151.2 Å²	151.2	75%	0.754	77%	0.772	S	S	*	*			trans	-70.8	138.9	178	-66.2	174.5	0	0	0	109.8	Q713	I711-Q713 PolarHBondContact O-N 3.26Å
712	V	24.6	Very low	28.1	Very low	121 Å²	121	149.8 Å²	149.8	73%	0.733	78%	0.776	S	S	*	*			trans	-71.8	112.1	179	178.1	0	0	0	0	110.2	Q714	V712-Q714 HydrophobicContact CG1-CG 4.32Å
713	Q	29.1	Very low	27.8	Very low	184 Å²	184	145.9 Å²	145.9	86%	0.86	77%	0.773	S	S	*	*			trans	-89.9	127.7	155.2	-80.3	-172.7	-25.5	0	0	109.3	I711	I711-Q713 PolarHBondContact O-N 3.26Å
714	Q	27.9	Very low	27.7	Very low	182 Å²	182	147.8 Å²	147.8	85%	0.85	78%	0.778	S	S	*	*			trans	-84.8	130	171.9	-64.9	177.4	-9.8	0	0	109.1	V712	V712-Q714 HydrophobicContact CG1-CG 4.32Å
715	Q	26.8	Very low	27.6	Very low	171 Å²	171	142.2 Å²	142.2	80%	0.799	78%	0.775	S	S	*	*			trans	-108.2	140.3	161.7	-73.1	-166.6	-16.2	0	0	109.6	S717	Q715-S717 PolarHBondContact O-N 2.86Å
716	P	30	Very low	27.6	Very low	114 Å²	114	140.7 Å²	140.7	74%	0.74	78%	0.778	S	S	*	*			trans	-76.2	106.6	176.9	30.2	-32.9	0	0	0	110.7	Y718	P716-Y718 PolarHBondContact O-N 3.19Å
717	S	27.2	Very low	27.7	Very low	109 Å²	109	141 Å²	141	76%	0.762	78%	0.78	S	S	*	*			trans	-71.4	113.4	-179.4	-59.2	0	0	0	0	112.7	Q715 M719	Q715-S717 PolarHBondContact O-N 2.86Å; S717-M719 PolarHBondContact O-N 2.87Å; S717-M719 VanDerWaalsContact O-N 3.09Å
718	Y	27.1	Very low	27.7	Very low	199 Å²	199	144.6 Å²	144.6	78%	0.78	78%	0.781	S	S	*	*			trans	-65.8	104.4	168.1	-79.8	-104.5	0	0	0	110.6	P716 V720	P716-Y718 PolarHBondContact O-N 3.19Å; Y718-V720 VanDerWaalsContact C-N 3.35Å; Y718-V720 PolarHBondContact O-N 2.74Å
719	M	25.4	Very low	27.5	Very low	147 Å²	147	142.1 Å²	142.1	72%	0.724	78%	0.783	S	S	*	*			trans	-79.1	78	177.1	-93	-94.5	62.6	0	0	112.4	S717 T721	S717-M719 PolarHBondContact O-N 2.87Å; S717-M719 VanDerWaalsContact O-N 3.09Å; M719-T721 HydrophobicContact CE-CG2 4.23Å; M719-T721 PolarHBondContact O-N 2.7Å; M719-T721 HydrophobicContact SD-CG2 4.42Å
720	V	25.7	Very low	27.5	Very low	117 Å²	117	139.4 Å²	139.4	71%	0.709	78%	0.778	S	S	*	*			trans	-66.5	102.4	162.3	-180	0	0	0	0	108.5	Y718 V722	Y718-V720 VanDerWaalsContact C-N 3.35Å; Y718-V720 PolarHBondContact O-N 2.74Å; V720-V722 HydrophobicContact CG1-CG2 4.24Å; V720-V722 PolarHBondContact O-N 2.92Å
721	T	26.6	Very low	27.6	Very low	118 Å²	118	143.1 Å²	143.1	72%	0.724	79%	0.785	S	S	*	*			trans	-91.4	80	-178.8	32	0	0	0	0	111.3	M719 S723	M719-T721 HydrophobicContact CE-CG2 4.23Å; M719-T721 PolarHBondContact O-N 2.7Å; M719-T721 HydrophobicContact SD-CG2 4.42Å; T721-S723 PolarHBondContact O-N 2.85Å
722	V	28.3	Very low	27.7	Very low	119 Å²	119	143.8 Å²	143.8	72%	0.721	79%	0.79	S	S	*	*			trans	-68.8	115.3	163.6	178.2	0	0	0	0	108.5	V720 N724	V720-V722 HydrophobicContact CG1-CG2 4.24Å; V720-V722 PolarHBondContact O-N 2.92Å; V722-N724 PolarHBondContact O-N 3.05Å
723	S	24.7	Very low	27.8	Very low	112 Å²	112	146.5 Å²	146.5	78%	0.783	80%	0.799	S	S	*	*			trans	-74.6	109.3	177	56.5	0	0	0	0	111.4	T721	T721-S723 PolarHBondContact O-N 2.85Å
724	N	29.1	Very low	27.7	Very low	155 Å²	155	142 Å²	142	83%	0.829	79%	0.788	S	S	*	*			trans	-135.6	128.6	156.7	-98	-33	0	0	0	109	V722	V722-N724 PolarHBondContact O-N 3.05Å
725	S	28.1	Very low	27.9	Very low	114 Å²	114	141.3 Å²	141.3	80%	0.797	78%	0.784	S	S	*	*			trans	-80.3	148.8	-175.4	40.9	0	0	0	0	112
726	P	29.4	Very low	27.9	Very low	124 Å²	124	137.5 Å²	137.5	81%	0.805	78%	0.777	S	S	*	*			trans	-84	137.5	-167.4	32.3	-35.4	0	0	0	112.8
727	N	30.4	Very low	28.1	Very low	147 Å²	147	138.2 Å²	138.2	79%	0.786	78%	0.779	S	S	*	*			trans	-129.6	97.4	164.8	-113.9	-29.7	0	0	0	112.1	C729	N727-C729 PolarHBondContact O-N 2.99Å
728	K	28.8	Very low	28.3	Very low	191 Å²	191	139.8 Å²	139.8	83%	0.83	78%	0.775	S	S	*	*			trans	20.2	97.7	147.5	-60.7	169.9	-177.2	170.6	0	116.8
729	C	25.6	Very low	28.4	Very low	137 Å²	137	137.3 Å²	137.3	93%	0.926	77%	0.77	S	S	*	*			trans	-113.1	126.3	140.9	-89	0	0	0	0	108.2	N727	N727-C729 PolarHBondContact O-N 2.99Å
730	S	27.2	Very low	28.7	Very low	102 Å²	102	135.4 Å²	135.4	71%	0.713	77%	0.767	S	S	*	*			trans	-144.8	138.8	175.6	59.6	0	0	0	0	110.3
731	K	29.6	Very low	28.9	Very low	195 Å²	195	134.6 Å²	134.6	85%	0.848	76%	0.758	S	S	*	*			trans	69.1	132.1	-167.2	-46.6	172.8	-174.6	178.6	0	111.1
732	N	29.2	Very low	29.1	Very low	162 Å²	162	137.1 Å²	137.1	87%	0.866	76%	0.759	S	S	*	*			cis	-114.2	141.4	28.1	-66.8	-42.9	0	0	0	114.6
733	L	27	Very low	29.2	Very low	177 Å²	177	139 Å²	139	93%	0.927	76%	0.764	S	S	*	*			trans	-141.8	119.1	166.6	-140.4	171.3	0	0	0	106.6
734	S	27.9	Very low	29.5	Very low	90 Å²	90	138 Å²	138	63%	0.629	76%	0.757	S	S	*	*			trans	-156.8	147	-176	99.4	0	0	0	0	108.7
735	H	31.2	Very low	29.6	Very low	167 Å²	167	135.7 Å²	135.7	77%	0.773	75%	0.753	S	S	*	*			cis	-155	152.9	8.3	-120.7	-44.7	0	0	0	112.4
736	S	28.5	Very low	29.9	Very low	92 Å²	92	136 Å²	136	64%	0.643	76%	0.756	S	S	*	*			trans	67.6	177.2	142.8	87.3	0	0	0	0	117
737	T	32.9	Very low	29.9	Very low	129 Å²	129	133.1 Å²	133.1	79%	0.791	75%	0.748	S	S	*	*			cis	-88.9	-132.9	18.9	59.8	0	0	0	0	115.3
738	Q	31.4	Very low	29.9	Very low	142 Å²	142	133.3 Å²	133.3	66%	0.664	75%	0.749	S	S	*	*			trans	-166.6	171.2	-153.9	-96.7	154.6	-80.1	0	0	108.9
739	H	30.1	Very low	30	Very low	146 Å²	146	134.6 Å²	134.6	68%	0.676	75%	0.749	S	S	*	*			cis	-140.4	-145.4	9.7	-139.4	-41	0	0	0	110.4
740	T	31.4	Very low	30	Very low	107 Å²	107	138.9 Å²	138.9	66%	0.656	75%	0.746	S	S	*	*			cis	-128.8	-161.8	14.1	68.8	0	0	0	0	109.8
741	D	30	Very low	30.1	Very low	100 Å²	100	140.9 Å²	140.9	54%	0.535	75%	0.753	S	S	.	*			cis	-128.8	139	-18.3	-107.9	-57.8	0	0	0	109.4
742	K	30.9	Very low	30	Very low	172 Å²	172	136.1 Å²	136.1	75%	0.748	74%	0.741	S	S	*	*			trans	32	144.7	134.1	-55.6	177.4	-171.9	104.3	0	119.7
743	L	29.8	Very low	29.8	Very low	158 Å²	158	134.2 Å²	134.2	83%	0.827	73%	0.73	S	S	*	*			cis	-143.7	169.4	21.8	-85.3	97.1	0	0	0	109.5
744	S	31.7	Very low	29.9	Very low	91 Å²	91	132.4 Å²	132.4	64%	0.636	73%	0.726	S	S	*	*			cis	-170.4	158.9	-10.7	45.2	0	0	0	0	110.6
745	S	31	Very low	30	Very low	106 Å²	106	135.5 Å²	135.5	74%	0.741	73%	0.725	S	S	*	*			trans	35.5	142	147.9	59	0	0	0	0	121.6
746	S	33.1	Very low	30.6	Very low	122 Å²	122	133.1 Å²	133.1	85%	0.853	72%	0.724	S	S	*	*			cis	-180	163.9	5	42.5	0	0	0	0	107.8
747	G	31.1	Very low	30.7	Very low	62 Å²	62	134.2 Å²	134.2	64%	0.639	72%	0.723	S	S	*	*			cis	149.6	160.1	-0.3	0	0	0	0	0	111.1
748	N	29.7	Very low	30.5	Very low	152 Å²	152	133.9 Å²	133.9	81%	0.813	72%	0.716	S	S	*	*			trans	65.8	149.9	169.6	-65.8	-37.1	0	0	0	117.4
749	R	31.1	Very low	30.4	Very low	217 Å²	217	134.5 Å²	134.5	82%	0.819	72%	0.724	S	S	*	*			cis	-145.5	149.2	-9.7	-89.6	140.6	179.5	-177.2	-2	104.9
750	R	24.9	Very low	30.3	Very low	228 Å²	228	132.2 Å²	132.2	86%	0.86	72%	0.724	S	S	*	*				63.7	88.8	51.8	-159.6	175.1	-173.7	174.2	2.9	115.5
751	V	29.3	Very low	30	Very low	144 Å²	144	132 Å²	132	87%	0.873	73%	0.727	S	S	*	*			trans	-131.6	157.8	163.8	-176.6	0	0	0	0	107.5
752	T	27.1	Very low	30	Very low	95 Å²	95	134.6 Å²	134.6	58%	0.583	74%	0.741	S	S	*	*			trans	-157.1	128.4	-158.5	-60.3	0	0	0	0	115.8
753	L	25.4	Very low	30	Very low	122 Å²	122	131.6 Å²	131.6	64%	0.639	74%	0.737	S	S	*	*			trans	68.9	130.7	154.6	-70.9	166	0	0	0	123.9	Y755	L753-Y755 HydrophobicContact CB-CD2 4.07Å; L753-Y755 HydrophobicContact CB-CE2 4.04Å; L753-Y755 HydrophobicContact CD1-CE2 3.75Å; L753-Y755 HydrophobicContact CD2-CE2 4.29Å; L753-Y755 HydrophobicContact CG-CE2 4.24Å
754	V	29.8	Very low	30.1	Very low	138 Å²	138	130.3 Å²	130.3	84%	0.836	73%	0.731	S	S	*	*			trans	-145.1	120.6	133.8	-161.9	0	0	0	0	104.3
755	Y	29	Very low	29.9	Very low	156 Å²	156	132.4 Å²	132.4	61%	0.612	74%	0.735	S	S	*	*				66.7	150.6	57.5	-72.6	-63.7	0	0	0	113.1	L753	L753-Y755 HydrophobicContact CB-CD2 4.07Å; L753-Y755 HydrophobicContact CB-CE2 4.04Å; L753-Y755 HydrophobicContact CD1-CE2 3.75Å; L753-Y755 HydrophobicContact CD2-CE2 4.29Å; L753-Y755 HydrophobicContact CG-CE2 4.24Å
756	P	44.9	Very low	29.9	Very low	116 Å²	116	134.4 Å²	134.4	75%	0.753	74%	0.737	S	S	*	*			cis	-101.8	-129.3	28.2	42.3	-38	0	0	0	116.7
757	N	30.3	Very low	29.5	Very low	116 Å²	116	139.2 Å²	139.2	62%	0.62	74%	0.737	S	S	*	*				-151	166.5	-123.8	-70.8	-10.8	0	0	0	110.6
758	N	28.4	Very low	29.5	Very low	122 Å²	122	142.3 Å²	142.3	65%	0.652	74%	0.743	S	S	*	*			cis	-169.8	-167.7	-14.7	-96.6	-13	0	0	0	108.1
759	N	29.4	Very low	29.5	Very low	155 Å²	155	142.5 Å²	142.5	83%	0.829	74%	0.742	S	S	*	*			trans	79.5	152	164.9	-56.2	-6.6	0	0	0	117.1
760	S	28.8	Very low	29.2	Very low	97 Å²	97	137.6 Å²	137.6	68%	0.678	74%	0.737	S	S	*	*			cis	-173.7	150.3	-34.2	51.5	0	0	0	0	108.8
761	S	24.1	Very low	29.4	Very low	102 Å²	102	132.6 Å²	132.6	71%	0.713	73%	0.732	S	S	*	*			trans	-18.1	128.7	164.2	52.4	0	0	0	0	118.8
762	N	29.6	Very low	29.4	Very low	155 Å²	155	131.3 Å²	131.3	83%	0.829	72%	0.724	S	S	*	*			trans	168.8	151.4	145.4	-92.5	-9.4	0	0	0	110.6
763	V	32.5	Very low	29.5	Very low	109 Å²	109	132.6 Å²	132.6	66%	0.661	73%	0.732	S	S	*	*			cis	-161	158.3	-19.7	95.3	0	0	0	0	110
764	N	31.3	Very low	30.3	Very low	132 Å²	132	132.1 Å²	132.1	71%	0.706	74%	0.737	S	S	*	*			trans	51.2	121.4	162.2	-63.5	1.6	0	0	0	122.7
765	D	27.4	Very low	30.3	Very low	134 Å²	134	131.3 Å²	131.3	72%	0.717	73%	0.732	S	S	*	*				-11.3	135.9	127.1	-49.3	-73.4	0	0	0	118
766	N	30.1	Very low	30.2	Very low	148 Å²	148	129.6 Å²	129.6	79%	0.791	74%	0.737	S	S	*	*				-168.6	166.5	91.1	-106.9	-71.2	0	0	0	116.1
767	R	26.3	Very low	29.4	Very low	224 Å²	224	129.7 Å²	129.7	85%	0.845	74%	0.736	S	S	*	*			trans	-79.5	143.7	-175.8	-54.9	156.5	171.9	156.4	-5.7	112.9
768	T	30.8	Very low	29.3	Very low	127 Å²	127	130 Å²	130	78%	0.779	74%	0.743	S	S	*	*				-160.8	113	126.9	27.5	0	0	0	0	109.1
769	I	29.8	Very low	29.3	Very low	155 Å²	155	132.8 Å²	132.8	80%	0.795	75%	0.754	S	S	*	*				85.8	126	100.9	-69.9	176.4	0	0	0	114.3
770	T	25.2	Very low	29.2	Very low	115 Å²	115	131.4 Å²	131.4	71%	0.706	75%	0.751	S	S	*	*			trans	-51.5	155.1	176.2	50.3	0	0	0	0	116.7
771	T	28.4	Very low	29.2	Very low	123 Å²	123	130.8 Å²	130.8	76%	0.755	75%	0.752	S	S	*	*				-174.6	124.1	108.3	30.8	0	0	0	0	115.4
772	T	29.2	Very low	29.4	Very low	116 Å²	116	132.4 Å²	132.4	71%	0.712	76%	0.757	S	S	*	*			trans	45.6	114.1	137.1	61.8	0	0	0	0	124.3
773	T	30.1	Very low	29.5	Very low	122 Å²	122	130.4 Å²	130.4	75%	0.748	75%	0.751	S	S	*	*				20.4	160.6	103.5	56.3	0	0	0	0	121.3
774	P	42	Very low	29.5	Very low	113 Å²	113	129.7 Å²	129.7	73%	0.734	76%	0.756	S	S	*	*			cis	-146.5	-164.9	-10	28.9	-1.3	0	0	0	117.1
775	V	29.7	Very low	29.6	Very low	120 Å²	120	130 Å²	130	73%	0.727	76%	0.758	S	S	*	*			trans	75.1	119.5	151.3	-111.7	0	0	0	0	125.6
776	T	26.6	Very low	30	Very low	120 Å²	120	128 Å²	128	74%	0.736	75%	0.754	S	S	*	*			trans	68.6	126.3	137.3	35.8	0	0	0	0	126.4
777	T	26.8	Very low	30.1	Very low	119 Å²	119	126 Å²	126	73%	0.73	75%	0.752	S	S	*	*			trans	89.4	104.9	130.6	-58.1	0	0	0	0	121.4
778	T	28.8	Very low	30.4	Very low	123 Å²	123	121.4 Å²	121.4	76%	0.755	74%	0.744	S	S	*	*			trans	59.5	110.8	145.2	-50.5	0	0	0	0	120.7
779	M	27.8	Very low	30.5	Very low	179 Å²	179	124 Å²	124	88%	0.882	75%	0.747	S	S	*	*				-167.5	151.1	117.6	-106.7	-160.9	179.9	0	0	116.8
780	V	28	Very low	30.5	Very low	127 Å²	127	119.7 Å²	119.7	77%	0.77	74%	0.742	S	S	*	*			trans	-24.5	142.9	162.6	173.6	0	0	0	0	120.7
781	A	28.3	Very low	30.9	Very low	84 Å²	84	120.5 Å²	120.5	69%	0.694	75%	0.746	S	S	*	*			trans	70.5	164.5	153.7	0	0	0	0	0	119.3
782	T	29.8	Very low	31.1	Very low	135 Å²	135	121 Å²	121	83%	0.828	74%	0.744	S	S	*	*			cis	-147.6	167.9	10.2	-26.4	0	0	0	0	114
783	T	30.6	Very low	31.2	Very low	114 Å²	114	120.5 Å²	120.5	70%	0.699	74%	0.737	S	S	*	*			trans	-59.6	157.1	-179.3	53.6	0	0	0	0	119.9
784	A	33.5	Very low	31.3	Very low	94 Å²	94	123.1 Å²	123.1	78%	0.777	74%	0.738	S	S	*	*				-147.3	125.4	129.6	0	0	0	0	0	107.9
785	N	33.3	Very low	30.7	Very low	139 Å²	139	122 Å²	122	74%	0.743	73%	0.733	S	S	*	*				72.3	132.7	58.2	-73.5	-0.9	0	0	0	114.3
786	S	34.4	Very low	30.9	Very low	91 Å²	91	122.4 Å²	122.4	64%	0.636	74%	0.736	S	S	*	*			cis	-175.9	152.4	-10.1	45.5	0	0	0	0	112.5
787	S	33.2	Very low	31.2	Very low	105 Å²	105	122.1 Å²	122.1	73%	0.734	73%	0.734	S	S	*	*			trans	66.9	158.5	151.8	74.9	0	0	0	0	118.5
788	N	31.9	Very low	31.5	Very low	129 Å²	129	120.9 Å²	120.9	69%	0.69	73%	0.73	S	S	*	*			cis	-160.6	152	-0.9	-130.7	-3.5	0	0	0	111.9
789	Q	33.5	Very low	31.7	Very low	180 Å²	180	121.5 Å²	121.5	84%	0.841	73%	0.729	S	S	*	*			trans	57.1	148.9	153.9	-61.2	167.8	-4	0	0	119.8
790	G	30.3	Very low	32	Very low	66 Å²	66	119.1 Å²	119.1	68%	0.68	72%	0.72	S	S	*	*			cis	169.7	170.1	-11.6	0	0	0	0	0	113.9
791	V	34	Very low	32.2	Very low	132 Å²	132	118.8 Å²	118.8	80%	0.8	71%	0.714	S	S	*	*			trans	78.5	114	143.7	177.2	0	0	0	0	120.6
792	D	32.3	Very low	32.3	Very low	134 Å²	134	121.5 Å²	121.5	72%	0.717	71%	0.712	S	S	*	*			trans	67.4	155.3	140.3	-75.6	27.2	0	0	0	123
793	N	31.4	Very low	32.3	Very low	104 Å²	104	123.2 Å²	123.2	56%	0.556	71%	0.71	S	S	*	*			cis	-164.9	153.5	-21.4	-127.3	-40.6	0	0	0	111.3
794	K	31.5	Very low	32.3	Very low	178 Å²	178	120.9 Å²	120.9	77%	0.774	71%	0.709	S	S	*	*			trans	61.7	157.1	147.1	-74.1	163.8	-173.2	173.7	0	120.8
795	S	29.4	Very low	31.7	Very low	89 Å²	89	128 Å²	128	62%	0.622	72%	0.716	S	S	*	*			cis	-172.6	176.7	-17.4	52.1	0	0	0	0	111.6
796	T	33.2	Very low	31.4	Very low	129 Å²	129	128.9 Å²	128.9	79%	0.791	72%	0.72	S	S	*	*			trans	68	135.6	162	54.9	0	0	0	0	116.6
797	V	33.4	Very low	30.8	Very low	113 Å²	113	132.8 Å²	132.8	69%	0.685	73%	0.733	S	S	*	*			cis	-163.9	167.9	-3.7	92.3	0	0	0	0	107.4
798	S	33.7	Very low	30.6	Very low	94 Å²	94	132.9 Å²	132.9	66%	0.657	73%	0.733	S	S	*	*			cis	-158.7	147.4	1.2	48.6	0	0	0	0	110.3
799	D	32.9	Very low	30.2	Very low	136 Å²	136	132.9 Å²	132.9	73%	0.727	74%	0.738	S	S	*	*			cis	-138.6	-79.6	-29	-87.9	-53.4	0	0	0	110.2
800	D	32.8	Very low	29.9	Very low	129 Å²	129	131.8 Å²	131.8	69%	0.69	74%	0.738	S	S	*	*			cis	-151.1	-157.7	-14.3	-166.1	78	0	0	0	108.1
801	N	32.3	Very low	29.8	Very low	120 Å²	120	135.5 Å²	135.5	64%	0.642	74%	0.741	S	S	*	*			trans	-77.1	123.6	-165.6	-63.2	-77.6	0	0	0	114
802	Q	31.4	Very low	29.4	Very low	141 Å²	141	133.2 Å²	133.2	66%	0.659	73%	0.731	S	S	*	*				74.2	144.2	58.8	-72.8	-159.5	-40.9	0	0	114.2
803	E	29.7	Very low	29.2	Very low	170 Å²	170	135 Å²	135	79%	0.794	73%	0.733	S	S	*	*			cis	-164.8	174.9	-21.1	-117.8	172.1	-137	0	0	106
804	G	29.3	Very low	29	Very low	66 Å²	66	135.9 Å²	135.9	68%	0.68	74%	0.738	S	S	*	*			cis	171.8	99.7	0.4	0	0	0	0	0	109.7
805	R	22.3	Very low	28.8	Very low	242 Å²	242	134.5 Å²	134.5	91%	0.913	73%	0.734	S	S	*	*			trans	-91.5	135.9	159.3	-85.1	-174.9	174.1	-176.6	-0.8	107.6
806	L	27.3	Very low	28.8	Very low	158 Å²	158	136.7 Å²	136.7	83%	0.827	74%	0.738	S	S	*	*				178.1	138	120.4	-96.3	159.1	0	0	0	111.9
807	L	21.5	Very low	28.5	Very low	173 Å²	173	136.4 Å²	136.4	91%	0.906	73%	0.731	S	S	*	*			trans	-108.4	126.8	151	-78.7	169.1	0	0	0	106.6
808	S	27.9	Very low	28.2	Very low	107 Å²	107	136.6 Å²	136.6	75%	0.748	73%	0.729	S	S	*	*			trans	-135.8	108.4	168.3	57.8	0	0	0	0	109.3
809	V	24.1	Very low	28	Very low	129 Å²	129	137.7 Å²	137.7	78%	0.782	73%	0.727	S	S	*	*			trans	-64.5	145.6	173.9	176.8	0	0	0	0	109.5
810	N	27.8	Very low	27.9	Very low	158 Å²	158	137.4 Å²	137.4	85%	0.845	73%	0.726	S	S	*	*			trans	-139.7	153.6	144.4	-137.2	-14.8	0	0	0	113.2
811	L	27.5	Very low	27.5	Very low	143 Å²	143	135.7 Å²	135.7	75%	0.749	72%	0.724	S	S	*	*			trans	-96.7	162.8	-174	-75.4	163.4	0	0	0	108.9
812	S	26.1	Very low	27.4	Very low	85 Å²	85	137 Å²	137	59%	0.594	73%	0.729	S	S	*	*			cis	-172.4	-175.9	3.4	32	0	0	0	0	110.7
813	F	28.5	Very low	27.1	Very low	171 Å²	171	135.3 Å²	135.3	75%	0.75	73%	0.729	S	S	*	*			trans	85.8	107.2	163.4	-70.9	-82.2	0	0	0	119.1
814	N	27.1	Very low	27.1	Very low	122 Å²	122	136.1 Å²	136.1	65%	0.652	73%	0.729	S	S	*	*				47.8	142.4	108.6	-60	18.1	0	0	0	118.9
815	H	27.4	Very low	27	Very low	149 Å²	149	138.2 Å²	138.2	69%	0.69	73%	0.729	S	S	*	*			cis	-163.6	158.9	13.3	-134.9	-51.7	0	0	0	110.3
816	L	28.2	Very low	27.3	Very low	135 Å²	135	133.2 Å²	133.2	71%	0.707	72%	0.721	S	S	*	*			trans	68.4	154.4	160.1	-56.1	163.8	0	0	0	115.4
817	N	27.3	Very low	27.5	Very low	123 Å²	123	132.1 Å²	132.1	66%	0.658	72%	0.716	S	S	*	*			cis	-163	144.6	-31.2	-117.7	19.9	0	0	0	106.9
818	N	28	Very low	28	Very low	118 Å²	118	128.8 Å²	128.8	63%	0.631	71%	0.707	S	S	*	*			trans	62.1	153.5	156.1	-63.7	55.8	0	0	0	116.2
819	D	28.1	Very low	28.1	Very low	117 Å²	117	129.7 Å²	129.7	63%	0.626	70%	0.703	S	S	*	*			cis	-155.6	165.5	-10.8	-114.6	-20.9	0	0	0	109.9
820	N	30.5	Very low	28.5	Very low	130 Å²	130	130 Å²	130	70%	0.695	70%	0.699	S	S	*	*			trans	46.6	100.2	151.6	-68.5	-51.5	0	0	0	119.3
821	S	24.8	Very low	28.6	Very low	93 Å²	93	129.3 Å²	129.3	65%	0.65	70%	0.695	S	S	*	*				89.2	-171	70.4	75.5	0	0	0	0	113.5
822	I	30.5	Very low	28.7	Very low	146 Å²	146	126.4 Å²	126.4	75%	0.749	70%	0.7	S	S	*	*			trans	69.6	84.5	-166.2	-48.9	175.9	0	0	0	112.7
823	T	25.8	Very low	29	Very low	107 Å²	107	126.5 Å²	126.5	66%	0.656	71%	0.706	S	S	*	*				75.5	122.2	58.4	76.2	0	0	0	0	116.9
824	K	29.4	Very low	28.9	Very low	186 Å²	186	123.8 Å²	123.8	81%	0.809	71%	0.707	S	S	*	*			trans	174.5	100.5	136.7	-93.1	152.5	-172.6	175.5	0	107.8
825	T	26.6	Very low	29	Very low	110 Å²	110	124.7 Å²	124.7	68%	0.675	71%	0.712	S	S	*	*				72.7	154.5	59.1	74.2	0	0	0	0	114.6
826	N	29.6	Very low	28.9	Very low	137 Å²	137	124.7 Å²	124.7	73%	0.733	72%	0.717	S	S	*	*			trans	113.6	122.9	168.2	-63	14.3	0	0	0	112.8
827	N	30.5	Very low	28.9	Very low	135 Å²	135	124.8 Å²	124.8	72%	0.722	72%	0.723	S	S	*	*			cis	-125.9	-158.8	-13.5	-62.1	-46	0	0	0	107.7
828	S	32.3	Very low	28.8	Very low	103 Å²	103	125.8 Å²	125.8	72%	0.72	73%	0.728	S	S	*	*			cis	-170.1	159.6	1.4	13.8	0	0	0	0	106.1
829	N	30.8	Very low	28.7	Very low	126 Å²	126	127.7 Å²	127.7	67%	0.674	74%	0.737	S	S	*	*			cis	-164.7	154.6	-10	-109.4	11.9	0	0	0	107.3
830	I	31.2	Very low	28.6	Very low	135 Å²	135	126.4 Å²	126.4	69%	0.692	74%	0.737	S	S	*	*			trans	60.4	132.8	140.5	-66.4	168.2	0	0	0	118.7
831	D	30.4	Very low	28.5	Very low	144 Å²	144	127.2 Å²	127.2	77%	0.77	74%	0.741	S	S	*	*			cis	-154.6	152.2	-12.9	-94.6	-14.7	0	0	0	106.8
832	G	30.2	Very low	28.6	Very low	82 Å²	82	130.5 Å²	130.5	85%	0.845	75%	0.75	S	S	*	*				88.5	134.5	94.5	0	0	0	0	0	112.5
833	A	31.6	Very low	28.3	Very low	88 Å²	88	129.2 Å²	129.2	73%	0.727	75%	0.749	S	S	*	*			cis	-137.9	169.1	1.1	0	0	0	0	0	107.9
834	C	25.7	Very low	28.4	Very low	114 Å²	114	128.6 Å²	128.6	77%	0.77	75%	0.749	S	S	*	*			cis	58.5	142.4	47.4	-48.5	0	0	0	0	112.5
835	D	29.2	Very low	28.2	Very low	140 Å²	140	124.6 Å²	124.6	75%	0.749	75%	0.745	S	S	*	*			cis	-132.8	161.2	25.6	-49.7	-52.8	0	0	0	114.7
836	D	25.5	Very low	28.1	Very low	150 Å²	150	124.1 Å²	124.1	80%	0.802	75%	0.746	S	S	*	*				29.7	153.1	128.7	-60.9	-10.8	0	0	0	121.4
837	V	29.6	Very low	27.9	Very low	136 Å²	136	124.8 Å²	124.8	82%	0.824	75%	0.748	S	S	*	*			cis	-145.5	147.6	42.9	169.8	0	0	0	0	112.4
838	N	23.5	Very low	27.6	Very low	145 Å²	145	125.2 Å²	125.2	78%	0.775	75%	0.748	S	S	*	*			trans	-111.5	179.6	171.9	-162.9	-8	0	0	0	110
839	I	26.9	Very low	27.4	Very low	157 Å²	157	129.2 Å²	129.2	81%	0.805	76%	0.755	S	S	*	*			trans	85.6	127.8	-171.3	-51.5	159.3	0	0	0	111
840	S	26.7	Very low	27.1	Very low	90 Å²	90	131.9 Å²	131.9	63%	0.629	77%	0.766	S	S	*	*			cis	-143.9	156.1	12	34.8	0	0	0	0	114.2
841	N	26.7	Very low	26.8	Very low	147 Å²	147	131.4 Å²	131.4	79%	0.786	77%	0.765	S	S	*	*			trans	26.2	143.3	130.3	-40.7	-20.7	0	0	0	118.8
842	I	27.7	Very low	26.8	Very low	163 Å²	163	134.2 Å²	134.2	84%	0.836	77%	0.77	S	S	*	*			cis	-153.3	149.1	49.9	-80.6	176.6	0	0	0	111.3
843	T	24.4	Very low	26.7	Very low	118 Å²	118	136.3 Å²	136.3	72%	0.724	76%	0.762	S	S	*	*			trans	-74.6	155.7	170.8	52.9	0	0	0	0	112.1
844	S	27.6	Very low	26.6	Very low	95 Å²	95	139.7 Å²	139.7	66%	0.664	77%	0.766	S	S	*	*				174.4	148.3	86.6	-55.2	0	0	0	0	106.4
845	S	25.1	Very low	26.7	Very low	102 Å²	102	141.2 Å²	141.2	71%	0.713	77%	0.766	S	S	*	*				45.2	139.9	62.2	59	0	0	0	0	115
846	S	24.6	Very low	26.7	Very low	100 Å²	100	140 Å²	140	70%	0.699	76%	0.759	S	S	*	*			cis	-168.1	-171.7	-15.4	-92.1	0	0	0	0	107.5
847	I	25.1	Very low	26.8	Very low	151 Å²	151	139.8 Å²	139.8	77%	0.774	76%	0.758	S	S	*	*			trans	80	118.5	148.1	-77.5	157.3	0	0	0	119.3
848	I	25	Very low	26.8	Very low	143 Å²	143	137.7 Å²	137.7	73%	0.733	75%	0.75	S	S	*	*			trans	48.4	115.4	141.7	-54.1	174.8	0	0	0	118.9
849	H	27	Very low	27.2	Very low	187 Å²	187	136.1 Å²	136.1	87%	0.866	75%	0.746	S	S	*	*			trans	-85.4	115.7	161.1	-117.6	20.1	0	0	0	111.2
850	M	25.2	Very low	27.4	Very low	182 Å²	182	135.2 Å²	135.2	90%	0.897	74%	0.741	S	S	*	*			trans	-82.4	144.7	147.3	-74.4	-164.9	179.2	0	0	108.6
851	N	26.1	Very low	27.5	Very low	125 Å²	125	137.1 Å²	137.1	67%	0.668	74%	0.744	S	S	*	*			trans	-117.2	127.5	-168.4	-172.4	2	0	0	0	112.3	N853	N851-N853 PolarHBondContact OD1-OD1 2.73Å
852	K	29.9	Very low	27.7	Very low	204 Å²	204	136.2 Å²	136.2	89%	0.887	74%	0.739	S	S	*	*			trans	-163.8	85.7	159	-113.5	169.7	-175.3	179.3	0	112.7
853	N	27.2	Very low	27.8	Very low	126 Å²	126	133.3 Å²	133.3	67%	0.674	73%	0.733	S	S	*	*			trans	19.4	163.2	139.2	-54.8	-10.7	0	0	0	122.7	N851	N851-N853 PolarHBondContact OD1-OD1 2.73Å
854	I	29.3	Very low	28.1	Very low	158 Å²	158	132.4 Å²	132.4	81%	0.81	73%	0.732	S	S	*	*			trans	83.7	123.3	164.4	-53.8	174	0	0	0	113.4
855	L	28.7	Very low	28.3	Very low	147 Å²	147	133.4 Å²	133.4	77%	0.77	74%	0.739	S	S	*	*			cis	-153.1	177.5	-15.6	-102.1	177.9	0	0	0	105.4
856	N	28.9	Very low	28.6	Very low	113 Å²	113	133.4 Å²	133.4	60%	0.604	74%	0.739	S	S	*	*			cis	-152.4	147.9	14.8	-163.5	64.6	0	0	0	109.7
857	D	27.6	Very low	28.7	Very low	146 Å²	146	135.2 Å²	135.2	78%	0.781	74%	0.741	S	S	*	*				-171.1	139.9	117.1	-107.6	3.3	0	0	0	113.6
858	S	29.7	Very low	28.9	Very low	92 Å²	92	133 Å²	133	64%	0.643	74%	0.739	S	S	*	*			trans	-51.6	155.1	-175.3	59.7	0	0	0	0	115.7
859	T	32.8	Very low	28.9	Very low	113 Å²	113	131.3 Å²	131.3	69%	0.693	74%	0.74	S	S	*	*			cis	-153.6	135.9	37.2	44.6	0	0	0	0	115.7
860	I	30.9	Very low	28.9	Very low	137 Å²	137	127.7 Å²	127.7	70%	0.703	74%	0.735	S	S	*	*				66.8	102.6	126.7	-60	173.5	0	0	0	120.1
861	N	29	Very low	29	Very low	131 Å²	131	126.6 Å²	126.6	70%	0.701	73%	0.733	S	S	*	*				67.1	149.9	127	-59.2	5.1	0	0	0	121
862	N	30.2	Very low	29.2	Very low	127 Å²	127	124.6 Å²	124.6	68%	0.679	73%	0.729	S	S	*	*			cis	-163.6	155.6	-7.4	-112.9	-10.3	0	0	0	112.3
863	S	30.3	Very low	29.2	Very low	102 Å²	102	122.1 Å²	122.1	71%	0.713	73%	0.725	S	S	*	*			trans	44.9	143.1	146.2	63	0	0	0	0	122.6
864	S	30.8	Very low	29.5	Very low	99 Å²	99	119.3 Å²	119.3	69%	0.692	72%	0.719	S	S	*	*			cis	-179.5	147.6	-5.7	46.6	0	0	0	0	112.6
865	S	31.2	Very low	29.5	Very low	116 Å²	116	118.7 Å²	118.7	81%	0.811	72%	0.718	S	S	*	*			trans	59.7	145.4	152.1	62.7	0	0	0	0	119.7
866	S	30.3	Very low	29.5	Very low	102 Å²	102	117.4 Å²	117.4	71%	0.713	72%	0.716	S	S	*	*			cis	-153	-177.4	-0.9	55.7	0	0	0	0	107.8
867	N	28.4	Very low	29.6	Very low	138 Å²	138	118.8 Å²	118.8	74%	0.738	73%	0.729	S	S	*	*			cis	-170.8	154.8	27.8	-143.7	-12.2	0	0	0	111.6
868	S	27.4	Very low	29.6	Very low	105 Å²	105	116.2 Å²	116.2	73%	0.734	73%	0.728	S	S	*	*			trans	51.9	154.2	154.6	60.4	0	0	0	0	122.1
869	S	26	Very low	29.5	Very low	108 Å²	108	119.8 Å²	119.8	76%	0.755	74%	0.739	S	S	*	*			cis	-176.9	159.9	-18.9	57	0	0	0	0	109.5
870	S	26.7	Very low	29.2	Very low	111 Å²	111	122.1 Å²	122.1	78%	0.776	75%	0.747	S	S	*	*			trans	162.1	142.3	140.8	48.2	0	0	0	0	115.1
871	N	27.1	Very low	29.1	Very low	159 Å²	159	121.2 Å²	121.2	85%	0.85	75%	0.748	S	S	*	*			trans	161.9	155.4	148.7	-93	-19.5	0	0	0	109.6
872	S	31.5	Very low	28.9	Very low	82 Å²	82	123.3 Å²	123.3	57%	0.573	76%	0.755	S	S	*	*			cis	-164.1	169.1	-14.8	50.3	0	0	0	0	108.7
873	N	29.9	Very low	28.7	Very low	153 Å²	153	125 Å²	125	82%	0.818	76%	0.763	S	S	*	*				146.5	163.2	102.5	-96.5	-11.8	0	0	0	107.9
874	A	33.2	Very low	28.6	Very low	66 Å²	66	128.8 Å²	128.8	55%	0.545	77%	0.77	S	S	.	*			cis	-161.8	-179.2	-15.2	0	0	0	0	0	106.9
875	N	29	Very low	28.5	Very low	145 Å²	145	131.6 Å²	131.6	78%	0.775	77%	0.772	S	S	*	*			cis	-142.1	163.5	11.6	-60.2	-93.4	0	0	0	108.5
876	T	28.4	Very low	28.4	Very low	121 Å²	121	131 Å²	131	74%	0.742	77%	0.768	S	S	*	*			cis	92.7	55.6	10.1	75.8	0	0	0	0	120
877	T	31.7	Very low	28.3	Very low	141 Å²	141	132 Å²	132	87%	0.865	77%	0.765	S	S	*	*			trans	-142.5	152.4	151.5	51.8	0	0	0	0	111.6
878	A	27.5	Very low	28.2	Very low	93 Å²	93	132.2 Å²	132.2	77%	0.769	77%	0.766	S	S	*	*			cis	173.8	95	-35.9	0	0	0	0	0	108.2
879	L	27.5	Very low	28.1	Very low	167 Å²	167	135.6 Å²	135.6	87%	0.874	78%	0.775	S	S	*	*			trans	-162.3	113.6	161.8	-144.4	143.9	0	0	0	110.3
880	D	25.6	Very low	28.1	Very low	161 Å²	161	136.1 Å²	136.1	86%	0.861	77%	0.773	S	S	*	*			trans	-151.5	125.8	173.4	-153.8	-9.1	0	0	0	108.3
881	V	29.6	Very low	28.1	Very low	118 Å²	118	135.7 Å²	135.7	72%	0.715	77%	0.77	S	S	*	*			trans	-138.7	111.3	-178	176.5	0	0	0	0	109.3
882	M	24.1	Very low	28.1	Very low	175 Å²	175	133.9 Å²	133.9	86%	0.862	76%	0.764	S	S	*	*			trans	10.2	109.3	158.3	-64.8	174.1	61.4	0	0	117.8
883	L	27.5	Very low	27.8	Very low	162 Å²	162	140.9 Å²	140.9	85%	0.848	78%	0.778	S	S	*	*				-158.2	93.4	127.8	-110.8	170.5	0	0	0	110.4
884	Q	27.9	Very low	27.6	Very low	183 Å²	183	144.9 Å²	144.9	86%	0.855	78%	0.782	S	S	*	*			trans	-112.8	116	164.8	-74.6	-173.8	-6.9	0	0	108.9
885	H	27.4	Very low	27.4	Very low	158 Å²	158	146.6 Å²	146.6	73%	0.731	79%	0.79	S	S	*	*			trans	-102.6	116.2	155.4	-101.3	-79.7	0	0	0	107.9	D887	H885-D887 IonicContact CE1-OD2 3.87Å; H885-D887 IonicContact ND1-OD2 3.62Å; H885-D887 PolarHBondContact ND1-OD2 2.83Å
886	S	29.5	Very low	27.2	Very low	103 Å²	103	144.8 Å²	144.8	72%	0.72	79%	0.789	S	S	*	*			trans	-148.9	75.3	167.9	61.6	0	0	0	0	108.5	L888	S886-L888 PolarHBondContact O-N 2.83Å
887	D	27.9	Very low	27.1	Very low	122 Å²	122	147.3 Å²	147.3	65%	0.652	80%	0.797	S	S	*	*			trans	-71.2	122	-179.2	-69.4	-78.9	0	0	0	111.7	H885	H885-D887 IonicContact CE1-OD2 3.87Å; H885-D887 IonicContact ND1-OD2 3.62Å; H885-D887 PolarHBondContact ND1-OD2 2.83Å
888	L	26.9	Very low	26.8	Very low	144 Å²	144	148.5 Å²	148.5	75%	0.754	80%	0.796	S	S	*	*			trans	54.5	122	147.5	-66.1	163.2	0	0	0	120.2	S886	S886-L888 PolarHBondContact O-N 2.83Å
889	L	24.9	Very low	26.7	Very low	176 Å²	176	147.7 Å²	147.7	92%	0.921	80%	0.797	S	S	*	*			trans	-140.3	67.3	151.5	-123.1	-180	0	0	0	113.4
890	T	25.5	Very low	26.5	Very low	119 Å²	119	144.9 Å²	144.9	73%	0.73	79%	0.791	S	S	*	*			trans	-146.3	141.8	160.1	33.7	0	0	0	0	107.1
891	S	28.1	Very low	26.5	Very low	102 Å²	102	144.5 Å²	144.5	71%	0.713	79%	0.788	S	S	*	*			cis	-151.9	144.5	5.2	58	0	0	0	0	113.4
892	V	25.9	Very low	26.4	Very low	120 Å²	120	143.9 Å²	143.9	73%	0.727	79%	0.785	S	S	*	*				32.5	117.2	128.7	-173.3	0	0	0	0	119.7
893	R	25.2	Very low	26.4	Very low	229 Å²	229	143.5 Å²	143.5	86%	0.864	78%	0.781	S	S	*	*			trans	79.4	131.9	150.5	-78.3	172.9	175.7	170.1	-1.3	121.6
894	R	26.7	Very low	26.4	Very low	238 Å²	238	141.7 Å²	141.7	90%	0.898	77%	0.771	S	S	*	*			trans	72.7	136.7	161.1	-69.5	179.4	175.2	166.9	-2.9	116.1
895	S	27.7	Very low	26.5	Very low	101 Å²	101	139 Å²	139	71%	0.706	76%	0.763	S	S	*	*			cis	-160.1	140.8	-5.7	37.2	0	0	0	0	114.1
896	S	25.9	Very low	26.5	Very low	108 Å²	108	137.8 Å²	137.8	76%	0.755	76%	0.761	S	S	*	*			trans	24.9	127.7	147.8	58.6	0	0	0	0	121
897	L	26.6	Very low	26.5	Very low	173 Å²	173	139.6 Å²	139.6	91%	0.906	76%	0.762	S	S	*	*			trans	-144.5	86.9	150.9	-125.6	174.5	0	0	0	112
898	I	24.3	Very low	26.6	Very low	166 Å²	166	141 Å²	141	85%	0.851	77%	0.77	S	S	*	*			trans	-169.7	129.6	149.8	-96.8	155.4	0	0	0	104.8
899	G	25.8	Very low	26.7	Very low	77 Å²	77	137.4 Å²	137.4	79%	0.794	77%	0.768	S	S	*	*			trans	168.4	62.9	-169.4	0	0	0	0	0	112.3
900	S	24.6	Very low	27	Very low	107 Å²	107	136 Å²	136	75%	0.748	77%	0.767	S	S	*	*			trans	-69.9	151.3	177	-43	0	0	0	0	112
901	L	24.5	Very low	27	Very low	153 Å²	153	139.2 Å²	139.2	80%	0.801	77%	0.773	S	S	*	*				170.5	159.1	117.5	-93.4	159.3	0	0	0	113.5
902	T	27.2	Very low	27.1	Very low	105 Å²	105	140.4 Å²	140.4	64%	0.644	78%	0.781	S	S	*	*			trans	59.2	114	158.9	45.5	0	0	0	0	117.7
903	E	24.6	Very low	27	Very low	168 Å²	168	143.7 Å²	143.7	79%	0.785	79%	0.789	S	S	*	*				74.4	145.3	75.1	-71.2	179.2	176.7	0	0	112.1
904	I	27.5	Very low	27.2	Very low	124 Å²	124	139.1 Å²	139.1	64%	0.636	79%	0.786	S	S	*	*			cis	-160.5	154.8	26.2	-145.6	162	0	0	0	112.6
905	N	29.1	Very low	27.2	Very low	127 Å²	127	133.9 Å²	133.9	68%	0.679	78%	0.78	S	S	*	*			trans	66.5	153.5	153.7	-71.1	-17.2	0	0	0	122.1
906	N	27.6	Very low	27.1	Very low	131 Å²	131	135.9 Å²	135.9	70%	0.701	79%	0.788	S	S	*	*			cis	-170.5	-172.2	-31.6	-129.6	-27.6	0	0	0	111.9
907	L	30.8	Very low	27.1	Very low	141 Å²	141	137.6 Å²	137.6	74%	0.738	78%	0.784	S	S	*	*			trans	92.2	106.3	165.4	-50.7	177.4	0	0	0	115
908	N	29.7	Very low	27.1	Very low	152 Å²	152	137.1 Å²	137.1	81%	0.813	78%	0.775	S	S	*	*				96.6	138.3	67.7	-77.6	4.2	0	0	0	110.9
909	G	29	Very low	27.3	Very low	69 Å²	69	136.5 Å²	136.5	71%	0.711	78%	0.779	S	S	*	*			cis	-148.2	-169	-5.4	0	0	0	0	0	109.2
910	T	31.4	Very low	27.3	Very low	147 Å²	147	144.4 Å²	144.4	90%	0.902	79%	0.785	S	S	*	*			cis	-149.1	174.2	36.3	50.4	0	0	0	0	113
911	Q	25.6	Very low	27.8	Very low	186 Å²	186	144.5 Å²	144.5	87%	0.869	78%	0.783	S	S	*	*			trans	-119.6	157.6	171.2	-70.7	-179.9	-34.9	0	0	111.2
912	S	28.9	Very low	27.8	Very low	126 Å²	126	144.5 Å²	144.5	88%	0.881	78%	0.783	S	S	*	*			trans	-159	152.6	148.6	-77.9	0	0	0	0	109.6
913	E	24.3	Very low	27.9	Very low	189 Å²	189	146.4 Å²	146.4	88%	0.883	79%	0.787	S	S	*	*			trans	-96.2	169.7	-166.7	-55.3	171.6	101.8	0	0	113.6
914	V	28.7	Very low	27.8	Very low	134 Å²	134	146.6 Å²	146.6	81%	0.812	79%	0.788	S	S	*	*				-168.6	126.6	121.8	136.6	0	0	0	0	112.3
915	V	26.6	Very low	27.7	Very low	127 Å²	127	147.1 Å²	147.1	77%	0.77	80%	0.797	S	S	*	*			trans	51.4	125.3	155.6	180	0	0	0	0	120.7
916	V	25.7	Very low	27.5	Very low	143 Å²	143	150 Å²	150	87%	0.867	80%	0.804	S	S	*	*			trans	-125.3	138.6	153.5	169.9	0	0	0	0	108.1
917	E	25.8	Very low	27.7	Very low	144 Å²	144	149.7 Å²	149.7	67%	0.673	81%	0.809	S	S	*	*			trans	-132	122.5	160.6	-131.9	-164	167.6	0	0	114.9
918	K	26.6	Very low	27.4	Very low	164 Å²	164	150.1 Å²	150.1	71%	0.713	81%	0.812	S	S	*	*			trans	22.8	118.2	150.9	-58.9	160.7	-163.7	157.6	0	118.9
919	T	28.3	Very low	27.4	Very low	152 Å²	152	147.5 Å²	147.5	93%	0.933	81%	0.811	S	S	*	*				-155.9	170.6	106.1	8.4	0	0	0	0	111.3
920	R	26.2	Very low	27.4	Very low	243 Å²	243	152 Å²	152	92%	0.917	82%	0.817	S	S	*	*			trans	-103.7	159.8	-165.7	-94	-172.8	171.9	-170.3	-1.5	114.4
921	P	35.7	Very low	27.2	Very low	109 Å²	109	154.1 Å²	154.1	71%	0.708	81%	0.81	S	S	*	*			trans	-102.6	173.6	-166.3	40.5	-36.6	0	0	0	114.2
922	L	25.4	Very low	27.2	Very low	154 Å²	154	153.4 Å²	153.4	81%	0.806	81%	0.807	S	S	*	*				175.3	156.2	124.3	-95.8	160.9	0	0	0	114.8
923	I	27.4	Very low	27.2	Very low	144 Å²	144	153.4 Å²	153.4	74%	0.738	81%	0.807	S	S	*	*			trans	72	105.3	151.5	-67.4	158	0	0	0	120.4
924	H	24.5	Very low	27.4	Very low	172 Å²	172	153.6 Å²	153.6	80%	0.796	80%	0.804	S	S	*	*			trans	-11.1	160	137	-93.9	-82.7	0	0	0	121.7
925	T	25.2	Very low	27.4	Very low	135 Å²	135	157.2 Å²	157.2	83%	0.828	81%	0.809	S	S	*	*			trans	104	156.2	152.5	72.3	0	0	0	0	118.6
926	K	25	Very low	27.5	Very low	189 Å²	189	162.5 Å²	162.5	82%	0.822	82%	0.815	S	S	*	*			trans	-70.7	153.6	-172.6	-51.6	174	178.8	-177.6	0	112.3
927	P	31.5	Very low	27.7	Very low	124 Å²	124	162.4 Å²	162.4	81%	0.805	81%	0.809	S	S	*	*			trans	-104.3	114	150.6	33.7	-23.5	0	0	0	111.1
928	D	24.1	Very low	27.9	Very low	150 Å²	150	161.8 Å²	161.8	80%	0.802	81%	0.811	S	S	*	*			trans	-104	164.6	150.8	-121.6	-49.5	0	0	0	108.3
929	A	29.2	Very low	28.1	Very low	96 Å²	96	163.3 Å²	163.3	79%	0.793	81%	0.812	S	S	*	*			trans	63	71	171.4	0	0	0	0	0	118.5	Y931	A929-Y931 PolarHBondContact O-N 3.16Å
930	I	29.2	Very low	28.1	Very low	164 Å²	164	163.3 Å²	163.3	84%	0.841	81%	0.806	S	S	*	*			trans	-77.2	109.8	150	-58.1	173.8	0	0	0	109.1
931	Y	27.5	Very low	28.3	Very low	192 Å²	192	156.2 Å²	156.2	75%	0.753	79%	0.794	S	S	*	*				-177.4	114.3	127.1	-137.1	-103	0	0	0	112.5	A929	A929-Y931 PolarHBondContact O-N 3.16Å
932	Q	26.4	Very low	28	Very low	171 Å²	171	157 Å²	157	80%	0.799	80%	0.797	S	S	*	*				168	108.9	120.8	-92.6	-164.7	32.6	0	0	111.8
933	S	28.3	Very low	28.3	Very low	126 Å²	126	154 Å²	154	88%	0.881	79%	0.788	S	S	*	*			trans	-179.4	122.8	133.9	37.8	0	0	0	0	108.6
934	K	28.4	Very low	28.4	Very low	192 Å²	192	154.3 Å²	154.3	84%	0.835	79%	0.792	S	S	*	*			trans	-149.1	76.5	178.3	-162.9	177	-176.2	179.6	0	112.1
935	K	29	Very low	28.6	Very low	211 Å²	211	150.6 Å²	150.6	92%	0.917	79%	0.785	S	S	*	*			trans	-140.5	137.7	151	-94.6	-173	175.8	-176.7	0	109.4
936	R	27.5	Very low	28.7	Very low	237 Å²	237	151.1 Å²	151.1	89%	0.894	78%	0.783	S	S	*	*			trans	-133.6	174.2	172.7	-96.4	-174.1	171.4	-178.7	-2.6	106.3
937	L	30.4	Very low	28.8	Very low	141 Å²	141	153.3 Å²	153.3	74%	0.738	79%	0.786	S	S	*	*			trans	78	134.9	-177.8	-49.4	169.6	0	0	0	111.4
938	D	30.5	Very low	29	Very low	131 Å²	131	152.4 Å²	152.4	70%	0.701	78%	0.78	S	S	*	*			cis	-121.6	137.1	7.8	-82.2	-62.9	0	0	0	110.6
939	R	29.9	Very low	29.1	Very low	197 Å²	197	152.9 Å²	152.9	74%	0.743	78%	0.782	S	S	*	*				76.5	111.4	70.1	-83.8	-176	164.1	-178.8	-4.2	114.9
940	N	28.4	Very low	28.9	Very low	151 Å²	151	152.3 Å²	152.3	81%	0.807	77%	0.772	S	S	*	*			trans	71.6	148.2	146.1	-60.6	7.9	0	0	0	117.1
941	S	31.1	Very low	28.7	Very low	95 Å²	95	151.6 Å²	151.6	66%	0.664	77%	0.765	S	S	*	*			cis	-163.7	159.1	-0.6	40	0	0	0	0	112.1
942	T	29.9	Very low	28.7	Very low	125 Å²	125	150.3 Å²	150.3	77%	0.767	76%	0.764	S	S	*	*			trans	36.3	142.8	143.5	57	0	0	0	0	121.6
943	S	30.8	Very low	28.7	Very low	90 Å²	90	146.7 Å²	146.7	63%	0.629	75%	0.753	S	S	*	*			cis	178.4	159.8	4.4	44.2	0	0	0	0	111
944	N	29.3	Very low	28.8	Very low	152 Å²	152	147.7 Å²	147.7	81%	0.813	74%	0.744	S	S	*	*			trans	65.4	159.4	156.9	-61.7	2.3	0	0	0	117.8
945	S	29.2	Very low	29	Very low	93 Å²	93	144.6 Å²	144.6	65%	0.65	73%	0.732	S	S	*	*			cis	-166	150.7	-28.5	50.4	0	0	0	0	110.5
946	D	28.3	Very low	29.2	Very low	147 Å²	147	140.6 Å²	140.6	79%	0.786	72%	0.717	S	S	*	*			trans	60.1	120	156.1	-58.7	-47.4	0	0	0	124.3
947	R	25.9	Very low	29.5	Very low	234 Å²	234	135.5 Å²	135.5	88%	0.883	70%	0.703	S	S	*	*				7.7	157.8	126.3	-70.6	-176.2	177	-153.3	0.1	120
948	P	36.5	Very low	29.6	Very low	106 Å²	106	135.1 Å²	135.1	69%	0.688	70%	0.697	S	S	*	*			cis	-147	-175.5	32.6	43.8	-23.4	0	0	0	118.4
949	L	25.9	Very low	29.5	Very low	159 Å²	159	136 Å²	136	83%	0.832	70%	0.696	S	S	*	*			trans	26.1	147.7	139.7	-62.6	166.3	0	0	0	121.3
950	S	25.6	Very low	29.5	Very low	84 Å²	84	132.6 Å²	132.6	59%	0.587	69%	0.693	S	S	*	*			cis	-176.7	162.3	-8.4	47.6	0	0	0	0	112.6
951	E	24.9	Very low	29.6	Very low	149 Å²	149	131.1 Å²	131.1	70%	0.696	69%	0.685	S	S	*	*			trans	70.2	145.4	143.3	-88	179.7	171.9	0	0	123.3
952	F	26.6	Very low	29.6	Very low	166 Å²	166	133.7 Å²	133.7	73%	0.728	69%	0.687	S	S	*	*			trans	64.7	153.7	152	-67.5	-45.5	0	0	0	119
953	T	26.9	Very low	29.6	Very low	94 Å²	94	136 Å²	136	58%	0.577	69%	0.688	S	S	*	*			cis	-156.6	162.2	1.4	-1.8	0	0	0	0	111.9
954	H	30.6	Very low	29.9	Very low	148 Å²	148	136.5 Å²	136.5	69%	0.685	69%	0.69	S	S	*	*			trans	67.4	157	143.9	-68.5	-31.9	0	0	0	119.6
955	H	31.1	Very low	29.8	Very low	126 Å²	126	137.5 Å²	137.5	58%	0.583	69%	0.693	S	S	*	*			cis	-162.4	172.3	-9	-123.3	-26.4	0	0	0	114
956	H	33.7	Very low	29.8	Very low	128 Å²	128	137.2 Å²	137.2	59%	0.593	70%	0.696	S	S	*	*			trans	66.1	149.5	151.4	-63.8	-39.7	0	0	0	120
957	H	33.6	Very low	29.7	Very low	130 Å²	130	136.6 Å²	136.6	60%	0.602	69%	0.693	S	S	*	*			cis	-155.9	154.5	-8.2	-117.6	-48.2	0	0	0	112.4
958	H	32.7	Very low	29.7	Very low	132 Å²	132	135.8 Å²	135.8	61%	0.611	69%	0.692	S	S	*	*			trans	40.6	138.6	157.5	-64	-58.1	0	0	0	122.2
959	Q	29.7	Very low	29.4	Very low	149 Å²	149	134.4 Å²	134.4	70%	0.696	70%	0.697	S	S	*	*			cis	103.5	150.1	21.8	-78.9	-173.8	-27.1	0	0	115.8
960	N	30	Very low	29.5	Very low	126 Å²	126	136.8 Å²	136.8	67%	0.674	70%	0.701	S	S	*	*			trans	78.3	156.5	163.8	-57.3	-22.8	0	0	0	116.9
961	N	29.6	Very low	29.6	Very low	120 Å²	120	139.8 Å²	139.8	64%	0.642	72%	0.716	S	S	*	*			cis	-172	169.1	-22.8	-96.9	-11.6	0	0	0	108.3
962	Q	30.8	Very low	29.8	Very low	150 Å²	150	142.3 Å²	142.3	70%	0.701	72%	0.724	S	S	*	*			cis	-160.9	143.4	-4.3	-125.2	166.4	-72.7	0	0	111.6
963	H	29.2	Very low	29.7	Very low	172 Å²	172	141.1 Å²	141.1	80%	0.796	72%	0.724	S	S	*	*			trans	63.1	179.1	147.6	-102	-82.7	0	0	0	118.6
964	P	37.5	Very low	29.5	Very low	101 Å²	101	143.6 Å²	143.6	66%	0.656	73%	0.732	S	S	*	*			trans	-124.1	173.1	-132.9	44.5	-30	0	0	0	116.2
965	I	28.6	Very low	29.3	Very low	173 Å²	173	142 Å²	142	89%	0.887	73%	0.733	S	S	*	*			trans	-167.6	168	131.9	-101	155.8	0	0	0	110.2
966	A	27.6	Very low	29	Very low	87 Å²	87	143.9 Å²	143.9	72%	0.719	74%	0.742	S	S	*	*			trans	-54.8	166.1	-160.1	0	0	0	0	0	121.4
967	D	26.5	Very low	28.9	Very low	134 Å²	134	145.5 Å²	145.5	72%	0.717	76%	0.755	S	S	*	*				113.1	148.4	124.8	-132.2	-8.2	0	0	0	120.9
968	Y	26.9	Very low	28.5	Very low	217 Å²	217	144.9 Å²	144.9	85%	0.851	75%	0.753	S	S	*	*			trans	57	160.9	174.6	-72.4	-85.6	0	0	0	120.2
969	G	29.6	Very low	28.3	Very low	78 Å²	78	141.3 Å²	141.3	80%	0.804	74%	0.737	S	S	*	*			trans	123	30.8	167	0	0	0	0	0	119.3
970	K	27.8	Very low	28.1	Very low	209 Å²	209	140.3 Å²	140.3	91%	0.909	74%	0.737	S	S	*	*			trans	-82.1	128.5	166.7	-77.3	-178.1	-178.3	172.6	0	111.7
971	T	28.8	Very low	28	Very low	147 Å²	147	139.8 Å²	139.8	90%	0.902	74%	0.743	S	S	*	*			trans	-144.3	149.5	140.3	-19.3	0	0	0	0	110.6
972	K	28.4	Very low	28.5	Very low	201 Å²	201	139.5 Å²	139.5	87%	0.874	75%	0.748	S	S	*	*			trans	-141.6	159.4	-174	-167.6	-175.4	174	-165.8	0	110.3
973	I	23.6	Very low	28.4	Very low	141 Å²	141	137.9 Å²	137.9	72%	0.723	75%	0.748	S	S	*	*			trans	-66.4	136.5	-179.2	-67	169.3	0	0	0	113
974	I	23.7	Very low	28.3	Very low	147 Å²	147	138.5 Å²	138.5	75%	0.754	75%	0.749	S	S	*	*			trans	60.5	119.6	159.1	-65	163.6	0	0	0	119
975	T	26.1	Very low	27.8	Very low	114 Å²	114	140.2 Å²	140.2	70%	0.699	75%	0.752	S	S	*	*				-177.7	140.5	113	36.4	0	0	0	0	112.5
976	E	25.3	Very low	27.7	Very low	166 Å²	166	138.5 Å²	138.5	78%	0.776	74%	0.743	S	S	*	*			trans	44.1	122.2	143.1	-64.1	165.4	-167	0	0	122.2
977	N	30	Very low	27.8	Very low	162 Å²	162	141.2 Å²	141.2	87%	0.866	75%	0.751	S	S	*	*				-170.5	169.3	110.8	-101.8	-65.6	0	0	0	113.1
978	E	25.8	Very low	27.8	Very low	117 Å²	117	137.9 Å²	137.9	55%	0.547	75%	0.748	S	S	.	*			trans	-89.3	175.4	-172.3	-61.1	-173.2	141.8	0	0	115.7	N110	N110-E978 WeakPolarHBondContact CB-OE2 3.33Å
979	I	28.9	Very low	27.9	Very low	57 Å²	57	136.6 Å²	136.6	29%	0.292	75%	0.749	S	S	.	*			trans	124.8	145.8	147.9	-58.7	176.3	0	0	0	114.9	N107 H108 N110	N107-I979 WeakPolarHBondContact OD1-CG2 3.3Å; H108-I979 HydrophobicContact CB-CD1 4.49Å; H108-I979 WeakPolarHBondContact ND1-CD1 3.32Å; N110-I979 HydrophobicContact CB-CD1 4.45Å; N110-I979 HydrophobicContact CB-CG1 4.15Å
980	D	26.3	Very low	27.9	Very low	127 Å²	127	137.3 Å²	137.3	68%	0.679	74%	0.741	S	S	*	*			trans	-75.5	170	-161.7	-58.3	-94.3	0	0	0	116.2	N110	N110-D980 PolarHBondContact ND2-OD2 3.21Å
981	S	26.1	Very low	28.2	Very low	115 Å²	115	133 Å²	133	80%	0.804	74%	0.737	S	S	*	*			trans	-89.8	175	-176.6	-37.6	0	0	0	0	113.5
982	P	40.9	Very low	28.3	Very low	115 Å²	115	132.8 Å²	132.8	75%	0.747	73%	0.73	S	S	*	*			cis	-135.2	-173.7	-9.3	32.6	-10.7	0	0	0	115.4
983	T	28	Very low	28.5	Very low	115 Å²	115	128.1 Å²	128.1	71%	0.706	72%	0.723	S	S	*	*			trans	90.9	106.4	151.1	-50.6	0	0	0	0	119.6
984	F	27.9	Very low	29	Very low	186 Å²	186	127.4 Å²	127.4	82%	0.816	73%	0.725	S	S	*	*			trans	24	146.1	135	-62.6	-76.6	0	0	0	121.3
985	L	26.2	Very low	30	Very low	136 Å²	136	125.7 Å²	125.7	71%	0.712	72%	0.724	S	S	*	*			cis	-160.3	138.2	16.1	-147.5	137.1	0	0	0	113.2
986	I	28	Very low	30.3	Very low	137 Å²	137	128.7 Å²	128.7	70%	0.703	73%	0.729	S	S	*	*			trans	9.1	130.1	157.5	-35.1	171.5	0	0	0	121.8
987	T	28.9	Very low	30.5	Very low	145 Å²	145	127.5 Å²	127.5	89%	0.89	73%	0.728	S	S	*	*				159.8	157.9	119.7	40.3	0	0	0	0	111.5
988	G	27	Very low	31	Very low	63 Å²	63	124.3 Å²	124.3	65%	0.649	72%	0.716	S	S	*	*			cis	155.1	140	-7.2	0	0	0	0	0	112.3
989	H	29.2	Very low	31.1	Very low	191 Å²	191	125.1 Å²	125.1	88%	0.884	72%	0.724	S	S	*	*			trans	-163.7	153.4	175.8	-94.2	-32.5	0	0	0	111.4
990	C	29.9	Very low	31	Very low	92 Å²	92	129.6 Å²	129.6	62%	0.622	75%	0.748	S	S	*	*			cis	-175.5	149.4	-29.6	-122.8	0	0	0	0	109.8
991	S	32.8	Very low	31.3	Very low	119 Å²	119	129.5 Å²	129.5	83%	0.832	75%	0.752	S	S	*	*			trans	-169.6	110.5	149.6	58.5	0	0	0	0	112.6
992	D	31.6	Very low	31.3	Very low	143 Å²	143	128.1 Å²	128.1	77%	0.765	74%	0.742	S	S	*	*			trans	-78.1	180	175.9	-38.2	-87.8	0	0	0	111.5
993	S	32.8	Very low	30.7	Very low	102 Å²	102	130.7 Å²	130.7	71%	0.713	74%	0.742	S	S	*	*			cis	-150.4	-143.9	10	49.5	0	0	0	0	108.7
994	T	33.6	Very low	30.6	Very low	126 Å²	126	132.5 Å²	132.5	77%	0.773	75%	0.747	S	S	*	*			cis	-159.5	158.1	7.9	-16.6	0	0	0	0	109.5
995	P	45	Very low	30.5	Very low	112 Å²	112	128.8 Å²	128.8	73%	0.727	74%	0.735	S	S	*	*			trans	-122.4	170.9	-167.6	42.5	-31.6	0	0	0	117.6
996	H	31.8	Very low	30.5	Very low	176 Å²	176	128.1 Å²	128.1	82%	0.815	73%	0.732	S	S	*	*			trans	-170	152.8	159.1	-105.4	60.9	0	0	0	109.3
997	L	30.3	Very low	30.5	Very low	141 Å²	141	129.6 Å²	129.6	74%	0.738	74%	0.735	S	S	*	*			cis	-147.5	-120.8	-22.9	-161	73.1	0	0	0	111.7
998	P	40.1	Very low	30.5	Very low	96 Å²	96	129.6 Å²	129.6	62%	0.623	73%	0.729	S	S	*	*			trans	-133.2	-177.1	-148.2	46.2	-27	0	0	0	119.8
999	N	28.3	Very low	30.4	Very low	133 Å²	133	133.3 Å²	133.3	71%	0.711	73%	0.733	S	S	*	*			trans	113	125.3	144.1	-78	-10.3	0	0	0	121
1000	L	27.4	Very low	30.5	Very low	152 Å²	152	129.4 Å²	129.4	80%	0.796	72%	0.719	S	S	*	*			trans	67.1	155.3	147.6	-55.9	164.5	0	0	0	116.6
1001	T	31.2	Very low	30.4	Very low	125 Å²	125	130.7 Å²	130.7	77%	0.767	72%	0.72	S	S	*	*			cis	-149	174.1	0.2	-12	0	0	0	0	112.5
1002	S	27.5	Very low	30.1	Very low	85 Å²	85	130.9 Å²	130.9	59%	0.594	71%	0.712	S	S	*	*			trans	-79.3	-172.1	-177.5	52.7	0	0	0	0	117
1003	F	27.4	Very low	30	Very low	170 Å²	170	129.9 Å²	129.9	75%	0.746	71%	0.706	S	S	*	*			trans	85	122.8	176.3	-57.3	-81.6	0	0	0	115.1	I1005	F1003-I1005 HydrophobicContact CD1-CD1 4.25Å
1004	N	25.4	Very low	29.8	Very low	152 Å²	152	130.8 Å²	130.8	81%	0.813	70%	0.703	S	S	*	*			cis	82	154.1	20	-157.7	16	0	0	0	115.8
1005	I	26.7	Very low	29.5	Very low	109 Å²	109	131.4 Å²	131.4	56%	0.559	70%	0.702	S	S	*	*			trans	103.1	119	159.6	-60.8	179.4	0	0	0	118.9	F1003	F1003-I1005 HydrophobicContact CD1-CD1 4.25Å
1006	N	26.8	Very low	28.8	Very low	121 Å²	121	131.6 Å²	131.6	65%	0.647	70%	0.701	S	S	*	*			trans	75.8	124	152.8	-67.3	-0.9	0	0	0	121.3
1007	H	26.5	Very low	28.6	Very low	168 Å²	168	131 Å²	131	78%	0.778	70%	0.704	S	S	*	*				74.3	154.3	95	-57.8	-44.3	0	0	0	113.3
1008	I	29.5	Very low	28.5	Very low	146 Å²	146	128.2 Å²	128.2	75%	0.749	71%	0.709	S	S	*	*			cis	-140.9	125	23.2	-70.3	174.6	0	0	0	106.2
1009	N	25.7	Very low	28	Very low	140 Å²	140	129.6 Å²	129.6	75%	0.749	72%	0.716	S	S	*	*				73.9	154.2	78.3	-150.2	17.4	0	0	0	116.1
1010	N	29.5	Very low	27.9	Very low	110 Å²	110	130.6 Å²	130.6	59%	0.588	72%	0.721	S	S	*	*			trans	81.7	104.6	163.3	-67.8	-8.9	0	0	0	122.6
1011	N	28	Very low	27.9	Very low	118 Å²	118	127.2 Å²	127.2	63%	0.631	72%	0.715	S	S	*	*				87.3	117	109.1	-65.4	-4.7	0	0	0	123.9
1012	N	28	Very low	27.7	Very low	124 Å²	124	127.3 Å²	127.3	66%	0.663	72%	0.716	S	S	*	*				95.4	128.9	116.1	-72	4.3	0	0	0	123.3
1013	N	29.2	Very low	27.6	Very low	121 Å²	121	129.2 Å²	129.2	65%	0.647	72%	0.723	S	S	*	*			trans	85.9	109.6	132.3	-68.9	2.3	0	0	0	122.2
1014	N	28.8	Very low	27.4	Very low	121 Å²	121	126.1 Å²	126.1	65%	0.647	72%	0.722	S	S	*	*				78.8	112.7	118.1	-59.4	-8.5	0	0	0	121.6
1015	N	26.5	Very low	27.5	Very low	140 Å²	140	127.1 Å²	127.1	75%	0.749	72%	0.719	S	S	*	*				82.5	151.2	122.3	-70.9	-8.1	0	0	0	122.8
1016	T	30.2	Very low	27.6	Very low	116 Å²	116	128.8 Å²	128.8	71%	0.712	73%	0.727	S	S	*	*			trans	71.9	106.7	151.7	37.8	0	0	0	0	120.3
1017	N	26.9	Very low	27.6	Very low	164 Å²	164	128 Å²	128	88%	0.877	73%	0.727	S	S	*	*				38	119.1	117	-51.7	-4	0	0	0	118.4
1018	G	28.6	Very low	28	Very low	82 Å²	82	127.3 Å²	127.3	85%	0.845	73%	0.729	S	S	*	*			trans	-171.7	93.5	169.5	0	0	0	0	0	114.8
1019	T	29.5	Very low	27.9	Very low	125 Å²	125	125.6 Å²	125.6	77%	0.767	73%	0.73	S	S	*	*			trans	-54.9	146.5	174.7	47.7	0	0	0	0	116.3
1020	N	26.6	Very low	28.7	Very low	154 Å²	154	124.5 Å²	124.5	82%	0.824	73%	0.731	S	S	*	*			trans	73.5	136.1	141.2	-67.2	-13.4	0	0	0	122.6
1021	A	27.5	Very low	28.8	Very low	80 Å²	80	126 Å²	126	66%	0.661	74%	0.739	S	S	*	*			trans	85.3	105.8	135.2	0	0	0	0	0	122.4
1022	T	26.2	Very low	28.9	Very low	128 Å²	128	129.1 Å²	129.1	79%	0.785	74%	0.742	S	S	*	*				79.4	159.1	128.2	61.3	0	0	0	0	121.8
1023	V	26.4	Very low	29.1	Very low	125 Å²	125	132.3 Å²	132.3	76%	0.758	75%	0.746	S	S	*	*			trans	73.4	113.1	171.7	-152.8	0	0	0	0	112.8
1024	C	24	Very low	29.2	Very low	105 Å²	105	130.8 Å²	130.8	71%	0.709	74%	0.744	S	S	*	*				55.5	142.3	75.9	-86.1	0	0	0	0	112.9
1025	K	26.3	Very low	29.3	Very low	173 Å²	173	135 Å²	135	75%	0.752	75%	0.752	S	S	*	*			cis	-171.2	-172.7	10.7	-137.3	169.8	-173.8	174.6	0	108.7
1026	I	28.2	Very low	29.6	Very low	144 Å²	144	132.2 Å²	132.2	74%	0.738	74%	0.744	S	S	*	*			trans	71.7	142.8	150.6	-71.1	154.7	0	0	0	116.4
1027	T	27.9	Very low	29.7	Very low	105 Å²	105	133.6 Å²	133.6	64%	0.644	75%	0.747	S	S	*	*			cis	-154.7	162.1	-27.2	37.3	0	0	0	0	107.5
1028	N	33.8	Very low	29.8	Very low	153 Å²	153	132.1 Å²	132.1	82%	0.818	74%	0.739	S	S	*	*				-167.5	143.4	90.1	-83.8	-14.6	0	0	0	112
1029	S	28.8	Very low	29.9	Very low	110 Å²	110	135.7 Å²	135.7	77%	0.769	73%	0.733	S	S	*	*			trans	-148.3	145.6	-178.1	58.2	0	0	0	0	111.8
1030	P	42.8	Very low	30	Very low	117 Å²	117	138.1 Å²	138.1	76%	0.76	74%	0.736	S	S	*	*			trans	-137.9	163.8	134.5	12.7	10.7	0	0	0	111.8
1031	N	31.9	Very low	30.2	Very low	141 Å²	141	135.1 Å²	135.1	75%	0.754	73%	0.727	S	S	*	*			cis	-153.2	175.1	-1.7	-129.3	-31.6	0	0	0	113
1032	R	30	Very low	30.2	Very low	184 Å²	184	137.6 Å²	137.6	69%	0.694	73%	0.733	S	S	*	*			trans	-53.1	165.8	-178.1	-57.5	163.9	-171.2	177	1	115.3
1033	Y	31.3	Very low	30.9	Very low	191 Å²	191	136.6 Å²	136.6	75%	0.749	73%	0.729	S	S	*	*			cis	-143.1	137.3	31	-74.7	-94.8	0	0	0	111.6
1034	S	30.5	Very low	31	Very low	88 Å²	88	139.6 Å²	139.6	62%	0.615	73%	0.732	S	S	*	*				71.2	138.1	83.4	-41.8	0	0	0	0	114.5
1035	Y	31.9	Very low	31.2	Very low	209 Å²	209	139.8 Å²	139.8	82%	0.82	73%	0.73	S	S	*	*			cis	-147.3	138.5	22.8	-117.3	-78.7	0	0	0	112.9
1036	S	32.7	Very low	31.2	Very low	83 Å²	83	136 Å²	136	58%	0.58	73%	0.725	S	S	*	*			trans	43.3	153.8	140.5	63.3	0	0	0	0	122.6
1037	N	31.5	Very low	31.1	Very low	144 Å²	144	134.4 Å²	134.4	77%	0.77	73%	0.727	S	S	*	*			cis	167.1	165.7	-3.1	-89.2	-17	0	0	0	103.7
1038	L	30.3	Very low	31.1	Very low	134 Å²	134	137.6 Å²	137.6	70%	0.702	74%	0.739	S	S	*	*			cis	-146.6	165	2.6	-152.7	84.8	0	0	0	110.4
1039	H	29.3	Very low	30.7	Very low	157 Å²	157	136.1 Å²	136.1	73%	0.727	74%	0.736	S	S	*	*			trans	-45.7	165	159.3	-69.4	-110.6	0	0	0	114.1
1040	Q	32	Very low	30.7	Very low	176 Å²	176	138.6 Å²	138.6	82%	0.822	74%	0.739	S	S	*	*			cis	-161.5	165.1	49.4	-72.6	173.6	-17.3	0	0	110.7
1041	S	30.4	Very low	29.9	Very low	90 Å²	90	139 Å²	139	63%	0.629	73%	0.734	S	S	*	*			cis	-168.2	121.9	-21.5	52.3	0	0	0	0	113
1042	V	28	Very low	29.8	Very low	133 Å²	133	140.1 Å²	140.1	81%	0.806	73%	0.733	S	S	*	*				72.5	136.7	122.8	-178.6	0	0	0	0	120.9
1043	P	41	Very low	29.9	Very low	107 Å²	107	136.7 Å²	136.7	70%	0.695	74%	0.737	S	S	*	*			trans	-120.8	-166.4	-173.4	42.8	-27.1	0	0	0	114.4
1044	F	28.7	Very low	29.6	Very low	187 Å²	187	134.8 Å²	134.8	82%	0.82	74%	0.739	S	S	*	*			trans	148.2	158.3	151.7	-98.4	-123.2	0	0	0	111
1045	V	27.6	Very low	29.6	Very low	109 Å²	109	137.3 Å²	137.3	66%	0.661	75%	0.745	S	S	*	*			cis	-168.4	155.6	-36.6	113	0	0	0	0	110.7
1046	S	26.3	Very low	29.3	Very low	94 Å²	94	134 Å²	134	66%	0.657	74%	0.742	S	S	*	*			trans	41.5	117	160.7	71.7	0	0	0	0	123.6
1047	S	27.2	Very low	29	Very low	111 Å²	111	135.1 Å²	135.1	78%	0.776	75%	0.75	S	S	*	*				46.9	125.9	129.8	65.6	0	0	0	0	123.4
1048	L	26.7	Very low	28.6	Very low	172 Å²	172	136.3 Å²	136.3	90%	0.901	75%	0.753	S	S	*	*			trans	-159.5	163.2	132.9	-113.1	164.2	0	0	0	110.7
1049	T	26	Very low	28.7	Very low	121 Å²	121	137.8 Å²	137.8	74%	0.742	76%	0.761	S	S	*	*			trans	-110.5	153.6	-177.5	42.4	0	0	0	0	112
1050	I	29	Very low	28.6	Very low	163 Å²	163	137.1 Å²	137.1	84%	0.836	76%	0.763	S	S	*	*			trans	175.8	107.6	137.7	-90.9	154.3	0	0	0	111
1051	D	25.4	Very low	28.4	Very low	124 Å²	124	135 Å²	135	66%	0.663	76%	0.756	S	S	*	*				51.7	148.7	128.6	-141.5	11.2	0	0	0	125.8
1052	K	30.6	Very low	28.4	Very low	166 Å²	166	137.7 Å²	137.7	72%	0.722	77%	0.768	S	S	*	*			trans	74.8	109.4	157.7	-76.8	172.1	-178.3	85.2	0	123.9
1053	S	30.7	Very low	28.3	Very low	111 Å²	111	136 Å²	136	78%	0.776	76%	0.762	S	S	*	*				94.1	133.5	125.8	73.6	0	0	0	0	122.7
1054	L	26.4	Very low	27.8	Very low	152 Å²	152	139.3 Å²	139.3	80%	0.796	77%	0.772	S	S	*	*			trans	10.3	143.8	144.8	-64.8	151.7	0	0	0	118.4
1055	N	29.5	Very low	27.7	Very low	140 Å²	140	137.7 Å²	137.7	75%	0.749	77%	0.767	S	S	*	*			cis	-163	-170.1	38.9	-145.2	-25.3	0	0	0	113.8
1056	N	27.1	Very low	27.9	Very low	139 Å²	139	140.5 Å²	140.5	74%	0.743	77%	0.771	S	S	*	*			trans	-84.8	157	-170	-75.8	-67	0	0	0	117.8
1057	S	25.5	Very low	27.9	Very low	107 Å²	107	144.7 Å²	144.7	75%	0.748	78%	0.782	S	S	*	*			trans	91.5	150.7	141	82.1	0	0	0	0	121.7
1058	M	23.9	Very low	28	Very low	169 Å²	169	149 Å²	149	83%	0.833	79%	0.787	S	S	*	*			trans	58.2	120	167.4	-58.7	-145	-170.8	0	0	119.6
1059	N	31.1	Very low	28.7	Very low	166 Å²	166	146.7 Å²	146.7	89%	0.888	78%	0.782	S	S	*	*				-157.3	161.2	95.3	-103.5	-54.5	0	0	0	112.5
1060	N	28.1	Very low	28.8	Very low	142 Å²	142	144.9 Å²	144.9	76%	0.759	78%	0.78	S	S	*	*			trans	-141	149.2	-176.7	-157.8	-1.7	0	0	0	109.5
1061	I	28	Very low	28.8	Very low	132 Å²	132	143.1 Å²	143.1	68%	0.677	78%	0.776	S	S	*	*			trans	65.7	107.4	171.2	-49	167	0	0	0	116.9
1062	V	30.7	Very low	29	Very low	147 Å²	147	143.9 Å²	143.9	89%	0.891	78%	0.781	S	S	*	*				-128.9	139.4	124	176.9	0	0	0	0	107
1063	S	25.7	Very low	28.9	Very low	96 Å²	96	142 Å²	142	67%	0.671	78%	0.783	S	S	*	*			trans	-113.7	137.5	-176	-55.1	0	0	0	0	112.5
1064	I	29.5	Very low	28.7	Very low	177 Å²	177	140.1 Å²	140.1	91%	0.908	78%	0.781	S	S	*	*			trans	-125.1	150.6	157	-62.6	-177	0	0	0	107.5
1065	Q	27.5	Very low	28.9	Very low	153 Å²	153	140.6 Å²	140.6	72%	0.715	78%	0.781	S	S	*	*			trans	-139.8	157	-151.7	-161.3	-169.2	63.4	0	0	112
1066	K	30.3	Very low	28.9	Very low	169 Å²	169	140 Å²	140	74%	0.735	78%	0.777	S	S	*	*			trans	82.8	147.7	173.5	-51.1	164.3	-173.1	172.5	0	113.6
1067	M	26.5	Very low	29	Very low	181 Å²	181	140.9 Å²	140.9	89%	0.892	78%	0.781	S	S	*	*			cis	-149.3	-171.5	2.8	-132.5	155.8	178.5	0	0	113.1
1068	K	30.7	Very low	29.2	Very low	202 Å²	202	139.6 Å²	139.6	88%	0.878	78%	0.777	S	S	*	*			trans	-96.8	166.1	-170.3	-86	-175.6	175.8	-178.3	0	114.7
1069	P	39.8	Very low	29.5	Very low	123 Å²	123	136.3 Å²	136.3	80%	0.799	77%	0.771	S	S	*	*			trans	-104	161.7	-174.9	39.9	-35.6	0	0	0	115.8
1070	A	28.4	Very low	29.5	Very low	84 Å²	84	135.1 Å²	135.1	69%	0.694	77%	0.77	S	S	*	*			trans	162.9	142.8	136.6	0	0	0	0	0	114.3
1071	T	30.2	Very low	29.4	Very low	125 Å²	125	137.5 Å²	137.5	77%	0.767	77%	0.773	S	S	*	*			trans	55.7	148.7	144.9	53.2	0	0	0	0	121.4
1072	D	28.6	Very low	29.2	Very low	141 Å²	141	143.2 Å²	143.2	75%	0.754	79%	0.786	S	S	*	*			cis	-163.6	168.2	-3.9	-124.8	-33.4	0	0	0	115.4
1073	V	28	Very low	28.9	Very low	127 Å²	127	146.8 Å²	146.8	77%	0.77	79%	0.785	S	S	*	*			trans	57.6	123.4	150.2	175.2	0	0	0	0	123.7
1074	G	28.4	Very low	29	Very low	71 Å²	71	147.7 Å²	147.7	73%	0.732	79%	0.792	S	S	*	*			trans	129	140.9	134.5	0	0	0	0	0	118.4
1075	M	29.1	Very low	28.7	Very low	162 Å²	162	144.9 Å²	144.9	80%	0.798	78%	0.782	S	S	*	*			cis	-163.6	147.1	-18.1	-126.5	-160.3	161.9	0	0	113.3
1076	I	29	Very low	28.8	Very low	128 Å²	128	143.5 Å²	143.5	66%	0.656	79%	0.787	S	S	*	*			trans	55.1	116.7	153.6	-56.6	167	0	0	0	120.3
1077	N	30.2	Very low	28.8	Very low	156 Å²	156	141 Å²	141	83%	0.834	79%	0.786	S	S	*	*				-162.8	166.7	103.9	-127.8	-37.8	0	0	0	116.9
1078	A	30.6	Very low	28.8	Very low	81 Å²	81	144.4 Å²	144.4	67%	0.669	79%	0.789	S	S	*	*			trans	-45.6	159	177.5	0	0	0	0	0	117.4
1079	S	29.6	Very low	28.8	Very low	100 Å²	100	141.1 Å²	141.1	70%	0.699	79%	0.786	S	S	*	*			cis	-168.3	-176.1	-1.2	53.2	0	0	0	0	113.3
1080	T	31.5	Very low	28.5	Very low	141 Å²	141	144.3 Å²	144.3	87%	0.865	79%	0.787	S	S	*	*			trans	80.9	123.5	170.7	71.2	0	0	0	0	118.4
1081	K	24.3	Very low	28.3	Very low	192 Å²	192	147.9 Å²	147.9	84%	0.835	79%	0.794	S	S	*	*			trans	-108.4	141	167.7	-60	173	-180	175.7	0	108.7
1082	R	25.5	Very low	28.2	Very low	251 Å²	251	148.3 Å²	148.3	95%	0.947	79%	0.79	S	S	*	*			trans	-142.8	138	141.6	-76.8	-161.2	177.8	179.7	1.7	110.4
1083	Y	22.7	Very low	28.2	Very low	222 Å²	222	149.7 Å²	149.7	87%	0.871	80%	0.797	S	S	*	*			trans	-84.3	146.8	165.9	-77.2	-107.9	0	0	0	109.2
1084	S	27.9	Very low	28.3	Very low	116 Å²	116	149.6 Å²	149.6	81%	0.811	79%	0.791	S	S	*	*			trans	-133.6	144.2	156.6	52.2	0	0	0	0	109.1
1085	V	23.1	Very low	28.4	Very low	117 Å²	117	152.3 Å²	152.3	71%	0.709	80%	0.796	S	S	*	*			trans	-122.6	122.1	-177.7	173.9	0	0	0	0	107.9	T1087	V1085-T1087 PolarHBondContact O-N 2.73Å
1086	P	31.4	Very low	28.3	Very low	124 Å²	124	152.3 Å²	152.3	81%	0.805	79%	0.794	S	S	*	*			trans	-74.4	119	168.4	-15.3	31	0	0	0	110.3	R1088	P1086-R1088 PolarHBondContact O-N 2.89Å
1087	T	30.5	Very low	28.5	Very low	116 Å²	116	150.6 Å²	150.6	71%	0.712	80%	0.799	S	S	*	*			trans	-84.2	110.9	177.1	44.1	0	0	0	0	112	V1085 T1089	V1085-T1087 PolarHBondContact O-N 2.73Å; T1087-T1089 PolarHBondContact O-N 2.98Å
1088	R	26.1	Very low	28.3	Very low	254 Å²	254	150.9 Å²	150.9	96%	0.958	80%	0.795	S	S	*	*			trans	16.8	94.7	146.2	-166.4	-172.6	-163	-179.2	5.8	117.2	P1086	P1086-R1088 PolarHBondContact O-N 2.89Å
1089	T	30.8	Very low	28.2	Very low	133 Å²	133	157.4 Å²	157.4	82%	0.816	80%	0.804	S	S	*	*			trans	-129.8	166	153.5	-22.9	0	0	0	0	109.5	T1087	T1087-T1089 PolarHBondContact O-N 2.98Å
1090	K	32.2	Very low	28	Very low	190 Å²	190	161.2 Å²	161.2	83%	0.826	81%	0.81	S	S	*	*			trans	-66.2	142.7	179.6	-52.2	172.8	-174	173.7	0	108.9
1091	L	24.5	Very low	28	Very low	159 Å²	159	161.1 Å²	161.1	83%	0.832	80%	0.803	S	S	*	*			cis	65.8	75.9	43.3	-134.8	-175.3	0	0	0	112.4
1092	I	27.9	Very low	28.2	Very low	133 Å²	133	157.5 Å²	157.5	68%	0.682	80%	0.8	S	S	*	*			trans	-168.3	115.5	140.4	-89.5	147.4	0	0	0	104.8	I1094	I1092-I1094 HydrophobicContact CG2-CD1 3.9Å; I1092-I1094 HydrophobicContact CG2-CG1 3.88Å
1093	D	29.1	Very low	28.1	Very low	171 Å²	171	152.5 Å²	152.5	91%	0.914	79%	0.79	S	S	*	*			trans	-117.7	120.2	161.9	-81.4	-51.8	0	0	0	106.5
1094	I	30.1	Very low	28.5	Very low	125 Å²	125	148.2 Å²	148.2	64%	0.641	79%	0.787	S	S	*	*			trans	-108.7	128.8	175.7	-66.9	164.2	0	0	0	106.7	I1092 Q1096	I1092-I1094 HydrophobicContact CG2-CD1 3.9Å; I1092-I1094 HydrophobicContact CG2-CG1 3.88Å; I1094-Q1096 VanDerWaalsContact C-N 3.28Å; I1094-Q1096 HydrophobicContact CG2-CG 4.18Å; I1094-Q1096 PolarHBondContact O-N 3.22Å
1095	P	30.7	Very low	28.4	Very low	127 Å²	127	149 Å²	149	83%	0.825	78%	0.783	S	S	*	*			trans	-71.9	87.2	168.5	30.5	-32.9	0	0	0	109.1	A1097	P1095-A1097 PolarHBondContact O-N 2.93Å
1096	Q	27.6	Very low	28.8	Very low	162 Å²	162	152 Å²	152	76%	0.757	79%	0.788	S	S	*	*			trans	-72	106.7	165	-72.5	-169	-105.9	0	0	108.5	I1094 E1098	I1094-Q1096 VanDerWaalsContact C-N 3.28Å; I1094-Q1096 HydrophobicContact CG2-CG 4.18Å; I1094-Q1096 PolarHBondContact O-N 3.22Å; Q1096-E1098 PolarHBondContact O-N 3.09Å
1097	A	31.5	Very low	28.7	Very low	92 Å²	92	151.7 Å²	151.7	76%	0.76	78%	0.78	S	S	*	*			trans	-79.7	100.3	161.9	0	0	0	0	0	107.8	P1095 Y1099	P1095-A1097 PolarHBondContact O-N 2.93Å; A1097-Y1099 PolarHBondContact O-N 3.15Å
1098	E	27.6	Very low	28.5	Very low	162 Å²	162	153.3 Å²	153.3	76%	0.757	78%	0.784	S	S	*	*			trans	-68.9	123.2	176.4	-66.6	169.9	153.7	0	0	110	Q1096	Q1096-E1098 PolarHBondContact O-N 3.09Å
1099	Y	28.2	Very low	28.7	Very low	219 Å²	219	147.1 Å²	147.1	86%	0.859	78%	0.78	S	S	*	*			trans	-116.5	58.5	164.7	-105.3	-75.6	0	0	0	108.9	A1097 I1101	A1097-Y1099 PolarHBondContact O-N 3.15Å; Y1099-I1101 PolarHBondContact O-N 2.97Å
1100	E	25.1	Very low	28.3	Very low	179 Å²	179	146.3 Å²	146.3	84%	0.836	78%	0.779	S	S	*	*			trans	-81.5	107.6	165.3	-67	-156.2	151.9	0	0	109.5
1101	I	31	Very low	28.1	Very low	140 Å²	140	145 Å²	145	72%	0.718	78%	0.78	S	S	*	*			trans	-92.3	115.8	161.9	-61.4	177.1	0	0	0	106.3	Y1099 I1103	Y1099-I1101 PolarHBondContact O-N 2.97Å; I1101-I1103 PolarHBondContact O-N 3.29Å
1102	P	28.7	Very low	28.2	Very low	116 Å²	116	143.1 Å²	143.1	75%	0.753	77%	0.771	S	S	*	*			trans	-70.9	130.9	-178	28.4	-34.2	0	0	0	111
1103	I	24.6	Very low	28.1	Very low	145 Å²	145	145.9 Å²	145.9	74%	0.744	77%	0.774	S	S	*	*			trans	-99.4	123.8	166.4	-57.8	176.4	0	0	0	107.5	I1101	I1101-I1103 PolarHBondContact O-N 3.29Å
1104	T	31	Very low	27.9	Very low	133 Å²	133	142.9 Å²	142.9	82%	0.816	76%	0.758	S	S	*	*			trans	-138.1	124	163.1	49.7	0	0	0	0	108.7
1105	D	24.5	Very low	27.7	Very low	133 Å²	133	144.8 Å²	144.8	71%	0.711	76%	0.764	S	S	*	*			trans	-79.8	150.8	-163.8	-53.9	-84.3	0	0	0	115.5
1106	H	31.3	Very low	27.6	Very low	178 Å²	178	145.8 Å²	145.8	82%	0.824	76%	0.76	S	S	*	*			trans	-137.8	95	150	-94.1	-15.6	0	0	0	112.9
1107	N	29.8	Very low	27.6	Very low	119 Å²	119	145.8 Å²	145.8	64%	0.636	77%	0.766	S	S	*	*			trans	58.2	119.2	132	-60	-23.1	0	0	0	120.9
1108	N	26.5	Very low	27.4	Very low	149 Å²	149	147.3 Å²	147.3	80%	0.797	76%	0.761	S	S	*	*			trans	56.8	97	131.6	-57.3	-15.1	0	0	0	119
1109	S	29.8	Very low	27.3	Very low	124 Å²	124	148 Å²	148	87%	0.867	76%	0.758	S	S	*	*				-176.3	141.7	102.7	43.2	0	0	0	0	112.2
1110	S	23.1	Very low	27.4	Very low	116 Å²	116	142.1 Å²	142.1	81%	0.811	76%	0.755	S	S	*	*			trans	-144.9	97.4	176.8	59.8	0	0	0	0	110.7
1111	I	28.4	Very low	27.5	Very low	163 Å²	163	143.2 Å²	143.2	84%	0.836	76%	0.757	S	S	*	*			trans	-135.9	137.7	167.8	-62.6	-174.1	0	0	0	109.3
1112	N	25.5	Very low	27.2	Very low	119 Å²	119	145.5 Å²	145.5	64%	0.636	77%	0.765	S	S	*	*			trans	-72.6	178	-179.2	-69.4	-26.8	0	0	0	111.5
1113	Y	26.4	Very low	27.1	Very low	191 Å²	191	146.8 Å²	146.8	75%	0.749	77%	0.765	S	S	*	*				-166.2	133	53.2	-91.3	-75	0	0	0	116.6
1114	N	25.2	Very low	27.1	Very low	109 Å²	109	147.2 Å²	147.2	58%	0.583	77%	0.768	S	S	*	*				53	139.5	129	-76	25.9	0	0	0	125.4
1115	H	25.6	Very low	26.6	Very low	165 Å²	165	148.4 Å²	148.4	76%	0.764	76%	0.763	S	S	*	*			trans	62.7	132.9	151	-59	-51.7	0	0	0	117.2
1116	I	28.2	Very low	26.5	Very low	147 Å²	147	150.3 Å²	150.3	75%	0.754	77%	0.766	S	S	*	*				-156.2	143.8	61.4	-79.7	158	0	0	0	109.8
1117	N	27.2	Very low	26.3	Very low	162 Å²	162	148 Å²	148	87%	0.866	76%	0.758	S	S	*	*			trans	-175.3	163.8	131.1	-103.9	-34.5	0	0	0	113.4
1118	D	27.1	Very low	26.2	Very low	124 Å²	124	148.4 Å²	148.4	66%	0.663	77%	0.767	S	S	*	*			trans	-142.2	155.8	-162.7	-134.9	-19.6	0	0	0	112
1119	Y	27.1	Very low	26.1	Very low	176 Å²	176	146.7 Å²	146.7	69%	0.69	76%	0.762	S	S	*	*			trans	55.3	134.1	162	-80	-78.4	0	0	0	125.7
1120	A	29.6	Very low	25.9	Very low	97 Å²	97	147.1 Å²	147.1	80%	0.802	76%	0.759	S	S	*	*			trans	91.1	151.6	136.5	0	0	0	0	0	121.3
1121	K	26.8	Very low	26	Very low	202 Å²	202	146.3 Å²	146.3	88%	0.878	75%	0.754	S	S	*	*			trans	-120.2	136.3	-179.2	-58.5	175.4	178.9	-179.8	0	110.4
1122	Q	25.5	Very low	26	Very low	187 Å²	187	142.3 Å²	142.3	87%	0.874	74%	0.74	S	S	*	*				-167.1	171	120.8	-112	174.9	-22.3	0	0	110
1123	D	25.5	Very low	26.2	Very low	143 Å²	143	145 Å²	145	77%	0.765	75%	0.749	S	S	*	*			trans	-69.8	144.3	-165.5	-50.2	-88.2	0	0	0	114.2
1124	I	24.5	Very low	26.2	Very low	155 Å²	155	140.4 Å²	140.4	80%	0.795	74%	0.74	S	S	*	*			trans	173	121.6	132	-91.4	157.3	0	0	0	111.2
1125	H	22.2	Very low	26.3	Very low	157 Å²	157	143.1 Å²	143.1	73%	0.727	75%	0.753	S	S	*	*			trans	61.8	161.4	154.1	-88.3	-112.8	0	0	0	123.2
1126	F	22.3	Very low	26.4	Very low	173 Å²	173	141.2 Å²	141.2	76%	0.759	75%	0.747	S	S	*	*			trans	71.2	109.4	158.8	-76.8	-65.9	0	0	0	122.2
1127	I	26.7	Very low	26.3	Very low	131 Å²	131	140.2 Å²	140.2	67%	0.672	75%	0.753	S	S	*	*			trans	-21.8	131.7	133.6	-57.5	156.7	0	0	0	114.1	V1129	I1127-V1129 HydrophobicContact CG2-CB 3.98Å; I1127-V1129 HydrophobicContact CG2-CG2 3.64Å
1128	P	27.7	Very low	26.4	Very low	127 Å²	127	138 Å²	138	83%	0.825	75%	0.745	S	S	*	*			trans	-102.8	132.7	144.8	33.4	-27.2	0	0	0	110.7
1129	V	23.1	Very low	26.4	Very low	113 Å²	113	139.9 Å²	139.9	69%	0.685	76%	0.755	S	S	*	*			trans	-120	124.1	-174.2	125.2	0	0	0	0	111.2	I1127	I1127-V1129 HydrophobicContact CG2-CB 3.98Å; I1127-V1129 HydrophobicContact CG2-CG2 3.64Å
1130	T	25.5	Very low	26.5	Very low	133 Å²	133	136.8 Å²	136.8	82%	0.816	76%	0.76	S	S	*	*			trans	62.6	177.9	166.3	68.2	0	0	0	0	115.3
1131	S	26.9	Very low	26.4	Very low	99 Å²	99	135.7 Å²	135.7	69%	0.692	76%	0.758	S	S	*	*			cis	-154.5	-177.9	10.9	79.6	0	0	0	0	109.6
1132	S	28.5	Very low	26.5	Very low	78 Å²	78	133.1 Å²	133.1	55%	0.545	75%	0.752	S	S	.	*			cis	-151.7	152.4	2	-81.1	0	0	0	0	106.6
1133	H	28.6	Very low	26.7	Very low	177 Å²	177	129.7 Å²	129.7	82%	0.819	75%	0.749	S	S	*	*				-177.5	164.8	70.9	-85.7	90.6	0	0	0	109.4
1134	V	27.6	Very low	26.9	Very low	94 Å²	94	130.1 Å²	130.1	57%	0.57	75%	0.746	S	S	*	*			cis	-171	123.9	-38.2	127	0	0	0	0	107.9	I1136	V1134-I1136 HydrophobicContact CG1-CD1 4.18Å; V1134-I1136 HydrophobicContact CG1-CG1 3.79Å
1135	I	26.3	Very low	27.2	Very low	165 Å²	165	131 Å²	131	85%	0.846	74%	0.744	S	S	*	*			trans	-144.9	84.6	153.3	-58.4	-175.4	0	0	0	104.4
1136	I	28.2	Very low	27.5	Very low	126 Å²	126	129.9 Å²	129.9	65%	0.646	74%	0.742	S	S	*	*				50.3	93.8	97.8	-49.3	-176.3	0	0	0	112.6	V1134 T1138	V1134-I1136 HydrophobicContact CG1-CD1 4.18Å; V1134-I1136 HydrophobicContact CG1-CG1 3.79Å; I1136-T1138 HydrophobicContact CG2-CG2 3.95Å
1137	S	25.6	Very low	27.8	Very low	126 Å²	126	127.9 Å²	127.9	88%	0.881	74%	0.74	S	S	*	*			trans	-124.7	142.2	132.8	-168.8	0	0	0	0	107.1
1138	T	29.3	Very low	27.9	Very low	114 Å²	114	126.9 Å²	126.9	70%	0.699	74%	0.74	S	S	*	*			trans	-121.7	129.3	-168.6	50.5	0	0	0	0	111.5	I1136	I1136-T1138 HydrophobicContact CG2-CG2 3.95Å
1139	D	26.7	Very low	28	Very low	164 Å²	164	126 Å²	126	88%	0.877	73%	0.732	S	S	*	*			trans	-137.1	112.2	164.7	-109.3	-38	0	0	0	110.2
1140	S	29.5	Very low	28.5	Very low	112 Å²	112	128.2 Å²	128.2	78%	0.783	74%	0.735	S	S	*	*			trans	178.8	88.8	157.6	37.7	0	0	0	0	112.6
1141	G	28.5	Very low	28.8	Very low	74 Å²	74	127.4 Å²	127.4	76%	0.763	73%	0.725	S	S	*	*			trans	-105	108	146.5	0	0	0	0	0	107.1
1142	I	28.9	Very low	29.1	Very low	148 Å²	148	129.3 Å²	129.3	76%	0.759	73%	0.728	S	S	*	*				54	90.8	78.6	-54.2	175.9	0	0	0	112.2
1143	S	29.3	Very low	29.2	Very low	114 Å²	114	130.9 Å²	130.9	80%	0.797	74%	0.739	S	S	*	*				167.2	158.8	128	47	0	0	0	0	111.8
1144	H	29.9	Very low	29.1	Very low	153 Å²	153	128.6 Å²	128.6	71%	0.708	74%	0.737	S	S	*	*			cis	-173.8	151.1	-43.1	-138.8	-57.7	0	0	0	107.3
1145	K	30.8	Very low	29.3	Very low	174 Å²	174	130 Å²	130	76%	0.757	75%	0.746	S	S	*	*			trans	74.8	156.1	161	-57.3	174.6	178.1	178.4	0	117.7
1146	L	27.8	Very low	29.3	Very low	132 Å²	132	129.1 Å²	129.1	69%	0.691	74%	0.743	S	S	*	*			cis	-170	159.1	-24.2	-103.5	174	0	0	0	108.4
1147	N	27.6	Very low	29.4	Very low	131 Å²	131	131.1 Å²	131.1	70%	0.701	75%	0.754	S	S	*	*			trans	65.9	163	152.4	-67.2	-3.6	0	0	0	117.2
1148	T	30.1	Very low	29.5	Very low	111 Å²	111	130.9 Å²	130.9	68%	0.681	75%	0.747	S	S	*	*			cis	-171.6	150.1	-14.4	27.6	0	0	0	0	106.4
1149	T	29.7	Very low	29.6	Very low	108 Å²	108	130.2 Å²	130.2	66%	0.663	75%	0.747	S	S	*	*			cis	-165.3	-169.5	-13.7	17	0	0	0	0	106.8
1150	H	32.4	Very low	29.8	Very low	160 Å²	160	129.4 Å²	129.4	74%	0.741	74%	0.743	S	S	*	*			trans	77.2	145.5	169.9	-59.7	-76.3	0	0	0	115.9
1151	D	32.6	Very low	29.8	Very low	115 Å²	115	128.8 Å²	128.8	62%	0.615	74%	0.737	S	S	*	*			cis	-157.5	153.6	0.3	-126.8	8.8	0	0	0	113.4
1152	N	33.1	Very low	29.9	Very low	140 Å²	140	131.4 Å²	131.4	75%	0.749	73%	0.729	S	S	*	*			trans	59.8	148	153.5	-61.5	-43.4	0	0	0	120.2
1153	S	30.4	Very low	30	Very low	110 Å²	110	133.7 Å²	133.7	77%	0.769	73%	0.73	S	S	*	*			cis	-156.5	166.9	-3.2	47.2	0	0	0	0	111.3
1154	T	27.7	Very low	29.8	Very low	129 Å²	129	134.9 Å²	134.9	79%	0.791	72%	0.723	S	S	*	*			trans	-128.6	174.6	-175	49.1	0	0	0	0	114.3
1155	T	31.9	Very low	29.8	Very low	123 Å²	123	133.4 Å²	133.4	76%	0.755	73%	0.725	S	S	*	*			trans	93.7	115.1	159.3	69.3	0	0	0	0	121.9
1156	N	26.2	Very low	29.6	Very low	147 Å²	147	130.9 Å²	130.9	79%	0.786	72%	0.716	S	S	*	*				22.7	139.5	128.7	-49.8	-11.1	0	0	0	121.8
1157	I	29.8	Very low	29.6	Very low	169 Å²	169	135.4 Å²	135.4	87%	0.867	73%	0.725	S	S	*	*				-173.1	164.2	110	-96.1	161	0	0	0	111.7
1158	T	28	Very low	29.5	Very low	121 Å²	121	139.5 Å²	139.5	74%	0.742	73%	0.731	S	S	*	*			trans	-97.3	155	-165.3	53	0	0	0	0	116
1159	S	30.9	Very low	29.5	Very low	99 Å²	99	144.9 Å²	144.9	69%	0.692	74%	0.74	S	S	*	*				170.8	151.5	109.3	50.4	0	0	0	0	114.8
1160	N	30.5	Very low	29.9	Very low	148 Å²	148	144.7 Å²	144.7	79%	0.791	74%	0.741	S	S	*	*			trans	58.9	128.7	157.2	-61.2	-14	0	0	0	119.4
1161	C	29.7	Very low	29.6	Very low	99 Å²	99	142.3 Å²	142.3	67%	0.669	74%	0.742	S	S	*	*			cis	-166.5	-167.9	-6.1	-129.3	0	0	0	0	107.9
1162	H	31	Very low	29.4	Very low	128 Å²	128	141.2 Å²	141.2	59%	0.593	74%	0.743	S	S	*	*			cis	-158.4	155.5	7.8	-140.1	-67.4	0	0	0	109
1163	Y	29.9	Very low	29.2	Very low	197 Å²	197	142.1 Å²	142.1	77%	0.773	74%	0.743	S	S	*	*			trans	59.4	111.7	168.5	-65.1	-64.1	0	0	0	116.5
1164	E	26	Very low	29.2	Very low	139 Å²	139	146.9 Å²	146.9	65%	0.65	75%	0.746	S	S	*	*			cis	57.3	141.7	23.5	-62	-151.4	113.1	0	0	115.2	Q1166	E1164-Q1166 PolarHBondContact OE1-NE2 2.96Å
1165	T	30.5	Very low	29.1	Very low	122 Å²	122	145 Å²	145	75%	0.748	74%	0.738	S	S	*	*			cis	-130	155.5	23	46.4	0	0	0	0	112.2
1166	Q	26.4	Very low	29.1	Very low	120 Å²	120	147.1 Å²	147.1	56%	0.561	74%	0.739	S	S	*	*			cis	79.8	109.5	43.8	-81	-149.3	58.3	0	0	117.3	E1164	E1164-Q1166 PolarHBondContact OE1-NE2 2.96Å
1167	Y	27.8	Very low	29.2	Very low	228 Å²	228	147.6 Å²	147.6	89%	0.894	74%	0.736	S	S	*	*			trans	-164.4	104.4	142.8	-92.1	-74.9	0	0	0	107.3
1168	R	25.7	Very low	28.9	Very low	216 Å²	216	147.9 Å²	147.9	82%	0.815	73%	0.734	S	S	*	*				73.7	101.6	75.7	-81.1	-161.8	179.5	-160	1.5	117.4
1169	Y	29.2	Very low	28.7	Very low	224 Å²	224	146.7 Å²	146.7	88%	0.878	73%	0.729	S	S	*	*			trans	-61.1	179.4	139.2	-82.6	-80.6	0	0	0	110.9
1170	P	38.1	Very low	28.4	Very low	105 Å²	105	148.9 Å²	148.9	68%	0.682	73%	0.734	S	S	*	*			cis	-146.4	-176.9	18.3	45.2	-26	0	0	0	118.9
1171	S	27.1	Very low	28.3	Very low	110 Å²	110	146.7 Å²	146.7	77%	0.769	73%	0.725	S	S	*	*			trans	76	157.8	147	84.9	0	0	0	0	117.8
1172	S	26.9	Very low	28.2	Very low	91 Å²	91	151.1 Å²	151.1	64%	0.636	73%	0.73	S	S	*	*			cis	-155.9	167.9	10.2	65.2	0	0	0	0	114
1173	H	30.2	Very low	28.3	Very low	159 Å²	159	151.3 Å²	151.3	74%	0.736	73%	0.731	S	S	*	*			trans	81.7	141.6	138.8	-90.7	-58.5	0	0	0	125.4
1174	Y	29.2	Very low	28.3	Very low	211 Å²	211	147.1 Å²	147.1	83%	0.827	72%	0.721	S	S	*	*			trans	80.8	147.9	147	-94	-79.5	0	0	0	122
1175	S	25.8	Very low	28.6	Very low	90 Å²	90	148.3 Å²	148.3	63%	0.629	73%	0.726	S	S	*	*			trans	-116.6	138.6	-170.8	54.8	0	0	0	0	111.6
1176	Q	31.4	Very low	28.6	Very low	167 Å²	167	150.6 Å²	150.6	78%	0.78	73%	0.726	S	S	*	*			trans	-157.9	134.3	151.3	-108.7	153.5	-17	0	0	107.9
1177	Q	28.8	Very low	28.7	Very low	156 Å²	156	151.3 Å²	151.3	73%	0.729	73%	0.734	S	S	*	*				49.9	117.7	97.7	-53.6	-174.1	-70.7	0	0	111.8
1178	Q	25	Very low	28.6	Very low	176 Å²	176	146.9 Å²	146.9	82%	0.822	73%	0.725	S	S	*	*				45.3	136.7	73	-77.7	-168.2	-30.9	0	0	112.8
1179	C	23.6	Very low	28.7	Very low	95 Å²	95	146.1 Å²	146.1	64%	0.642	72%	0.724	S	S	*	*			cis	-171.1	179	-16.5	-123.4	0	0	0	0	105.2
1180	D	23.6	Very low	28.6	Very low	146 Å²	146	142.5 Å²	142.5	78%	0.781	72%	0.715	S	S	*	*			trans	67.5	160.8	167.2	-49.2	-40.2	0	0	0	112.7
1181	T	28.3	Very low	28.1	Very low	101 Å²	101	146.2 Å²	146.2	62%	0.62	72%	0.717	S	S	*	*			cis	-148.9	146	35.9	32.4	0	0	0	0	114.2
1182	Y	28.3	Very low	28	Very low	193 Å²	193	149.2 Å²	149.2	76%	0.757	71%	0.711	S	S	*	*			trans	65.4	145	150.3	-58.9	-40.3	0	0	0	118.8
1183	H	32.2	Very low	28	Very low	132 Å²	132	150.7 Å²	150.7	61%	0.611	71%	0.708	S	S	*	*			cis	-158.2	142.9	-3	-123.4	-38.4	0	0	0	111
1184	N	30	Very low	28	Very low	108 Å²	108	151.9 Å²	151.9	58%	0.578	71%	0.714	S	S	*	*			trans	64.5	159.4	142	-67.4	-6	0	0	0	119.2
1185	H	32	Very low	27.9	Very low	164 Å²	164	149.3 Å²	149.3	76%	0.759	71%	0.71	S	S	*	*			cis	-143.1	178	-1.7	-125.5	-10.9	0	0	0	113.6
1186	K	30.4	Very low	29	Very low	171 Å²	171	149.5 Å²	149.5	74%	0.743	71%	0.709	S	S	*	*			trans	-76.1	154.9	-173.7	-67.1	176.5	175.3	175.6	0	114.3
1187	N	28.4	Very low	29.4	Very low	135 Å²	135	147.4 Å²	147.4	72%	0.722	71%	0.709	S	S	*	*			trans	67.6	144.3	141.7	-66.4	2	0	0	0	121
1188	N	26.1	Very low	29.7	Very low	134 Å²	134	144.6 Å²	144.6	72%	0.717	71%	0.707	S	S	*	*			trans	10	133.8	142.1	-53.6	-10.2	0	0	0	117.9
1189	Y	27.6	Very low	30.1	Very low	200 Å²	200	143.2 Å²	143.2	78%	0.784	70%	0.701	S	S	*	*				-169.3	146.4	92.9	-110.2	-91.8	0	0	0	110.9
1190	Q	27.8	Very low	30.4	Very low	149 Å²	149	145.3 Å²	145.3	70%	0.696	70%	0.701	S	S	*	*			trans	48.9	138.6	151.7	-80.7	168	-21.1	0	0	123.7
1191	Y	27.8	Very low	30.8	Very low	182 Å²	182	145 Å²	145	71%	0.714	69%	0.694	S	S	*	*			trans	65.5	111.4	137.6	-79.9	-130.7	0	0	0	118.1
1192	R	24.7	Very low	30.8	Very low	173 Å²	173	146.4 Å²	146.4	65%	0.653	69%	0.694	S	S	*	*				80	118.7	71.9	-88.1	-174.4	171.5	-129.9	15	113.9
1193	Q	26	Very low	31	Very low	122 Å²	122	144.3 Å²	144.3	57%	0.57	69%	0.691	S	S	*	*			trans	67.7	157	137.3	-62.2	165.9	-27.6	0	0	115.1
1194	Q	30.9	Very low	30.9	Very low	185 Å²	185	146.3 Å²	146.3	86%	0.864	70%	0.698	S	S	*	*			cis	-123.1	151.2	16.1	-61.2	142.3	37.6	0	0	109.4
1195	Q	27.2	Very low	31	Very low	157 Å²	157	147 Å²	147	73%	0.734	70%	0.702	S	S	*	*			cis	75.4	168.5	27.4	-117.9	-157.1	13.9	0	0	114.1
1196	P	49.4	Very low	30.9	Very low	94 Å²	94	149.1 Å²	149.1	61%	0.61	70%	0.703	S	S	*	*				-117.2	-153.5	-125.5	40.6	-21.9	0	0	0	112
1197	P	40.1	Very low	30.9	Very low	122 Å²	122	148.3 Å²	148.3	79%	0.792	70%	0.703	S	S	*	*				-133.1	160.7	125	37	-27.8	0	0	0	113.4
1198	S	33.2	Very low	30.9	Very low	97 Å²	97	147.9 Å²	147.9	68%	0.678	71%	0.705	S	S	*	*			cis	-137.1	-83.1	9.4	53.1	0	0	0	0	115.5
1199	Q	33.7	Very low	31	Very low	148 Å²	148	146.9 Å²	146.9	69%	0.692	71%	0.708	S	S	*	*			trans	-159.1	166.3	-143.1	-76.8	173.4	-78.8	0	0	108.9
1200	H	31.6	Very low	31	Very low	138 Å²	138	142.7 Å²	142.7	64%	0.639	71%	0.707	S	S	*	*			cis	-169.5	177.7	-5.4	-102.9	-10.6	0	0	0	105.6
1201	Q	30.5	Very low	31	Very low	139 Å²	139	146.2 Å²	146.2	65%	0.65	71%	0.714	S	S	*	*			cis	-165.9	162.1	-4.3	-114.3	168.6	-60.3	0	0	105.3
1202	E	29.8	Very low	31	Very low	132 Å²	132	145 Å²	145	62%	0.617	72%	0.719	S	S	*	*			cis	-162.7	-174.3	-11.8	-149.1	-176.8	-78.7	0	0	109.3
1203	Q	31.7	Very low	31.2	Very low	149 Å²	149	140.4 Å²	140.4	70%	0.696	72%	0.718	S	S	*	*			trans	61.4	113.5	155.8	-61.4	-161.3	12.4	0	0	123
1204	F	30.7	Very low	31.4	Very low	173 Å²	173	141 Å²	141	76%	0.759	73%	0.725	S	S	*	*			trans	73.3	102.8	133.7	-82.7	-86.4	0	0	0	123.7
1205	N	30.9	Very low	31.6	Very low	123 Å²	123	138.2 Å²	138.2	66%	0.658	72%	0.717	S	S	*	*			trans	58.6	110.2	130	-83.6	-18.6	0	0	0	123.6
1206	R	30.4	Very low	31.9	Very low	208 Å²	208	136.6 Å²	136.6	79%	0.785	71%	0.713	S	S	*	*				69.6	121.8	127.6	-67.5	-168.5	-179.7	-140.2	0.9	122.1
1207	Q	30.6	Very low	31.1	Very low	155 Å²	155	137.7 Å²	137.7	72%	0.724	71%	0.714	S	S	*	*			trans	82.9	102.4	138.5	-74.3	-178.4	-62.1	0	0	121.5
1208	T	27.3	Very low	30.7	Very low	126 Å²	126	138.2 Å²	138.2	77%	0.773	71%	0.71	S	S	*	*			trans	79.9	145.7	131.4	52.7	0	0	0	0	122
1209	S	28.6	Very low	30.7	Very low	112 Å²	112	137.8 Å²	137.8	78%	0.783	71%	0.707	S	S	*	*			trans	74.7	86	168.7	55.9	0	0	0	0	120.9
1210	C	28.8	Very low	30.5	Very low	113 Å²	113	136.4 Å²	136.4	76%	0.764	71%	0.712	S	S	*	*				59.8	113.6	127.4	-61	0	0	0	0	125.1
1211	W	26.6	Very low	30.5	Very low	223 Å²	223	139.9 Å²	139.9	85%	0.845	72%	0.721	S	S	*	*			trans	73.7	133.3	130.7	-76.1	72.7	0	0	0	122.8
1212	L	27.9	Very low	30.6	Very low	155 Å²	155	138.2 Å²	138.2	81%	0.812	73%	0.725	S	S	*	*			trans	71.5	149.2	155.4	-68.7	165.1	0	0	0	118
1213	A	30	Very low	30.7	Very low	77 Å²	77	138.4 Å²	138.4	64%	0.636	73%	0.73	S	S	*	*			cis	-155	-152.4	-8.8	0	0	0	0	0	108.3
1214	N	30.5	Very low	30.8	Very low	134 Å²	134	138.6 Å²	138.6	72%	0.717	74%	0.736	S	S	*	*			cis	-164.4	-172.1	7.2	-154.3	64.1	0	0	0	110.7
1215	N	33.4	Very low	30.7	Very low	128 Å²	128	138.1 Å²	138.1	68%	0.684	74%	0.741	S	S	*	*			trans	77.8	139.3	164.4	-55	-12.9	0	0	0	116.6
1216	N	33.5	Very low	30.9	Very low	122 Å²	122	143.8 Å²	143.8	65%	0.652	75%	0.753	S	S	*	*			cis	-165.1	172.7	-2.7	-99.4	0.5	0	0	0	105.5
1217	N	33	Very low	31.1	Very low	118 Å²	118	142.9 Å²	142.9	63%	0.631	76%	0.755	S	S	*	*			cis	-168.2	-177.6	-5.1	-103.7	3.6	0	0	0	105.1
1218	N	32.8	Very low	31.3	Very low	132 Å²	132	142.1 Å²	142.1	71%	0.706	75%	0.754	S	S	*	*			cis	-166.9	176.1	-5.8	-112.2	3.5	0	0	0	106.1
1219	S	31.7	Very low	31.6	Very low	89 Å²	89	142.7 Å²	142.7	62%	0.622	75%	0.752	S	S	*	*			cis	179.8	121.7	-38.9	56.8	0	0	0	0	108.6
1220	C	31.2	Very low	31.6	Very low	118 Å²	118	143.6 Å²	143.6	80%	0.797	75%	0.748	S	S	*	*			trans	-151.5	130.8	171.9	-102.1	0	0	0	0	114.2
1221	Y	30.5	Very low	31.7	Very low	211 Å²	211	147.1 Å²	147.1	83%	0.827	75%	0.751	S	S	*	*			trans	49.3	105.4	159.9	-70.2	-79.2	0	0	0	122.6
1222	S	32.9	Very low	31.9	Very low	104 Å²	104	142.6 Å²	142.6	73%	0.727	75%	0.748	S	S	*	*			trans	57.6	145	138.1	65.3	0	0	0	0	121.1
1223	N	32.3	Very low	32.1	Very low	136 Å²	136	145.1 Å²	145.1	73%	0.727	75%	0.747	S	S	*	*			cis	-147.7	143.4	5.2	-138.6	-6.5	0	0	0	113.5
1224	N	32.7	Very low	32.1	Very low	153 Å²	153	147 Å²	147	82%	0.818	75%	0.746	S	S	*	*			trans	50.6	124	165.2	-67.6	-23.7	0	0	0	121.5
1225	N	29.3	Very low	32.2	Very low	164 Å²	164	148.2 Å²	148.2	88%	0.877	75%	0.747	S	S	*	*			trans	-120.4	166.2	-176.2	-110	-47	0	0	0	112.3
1226	R	34.9	Very low	32.1	Very low	241 Å²	241	147 Å²	147	91%	0.909	75%	0.745	S	S	*	*			trans	-68.1	160.9	160.4	-65.6	174.4	173.2	166.8	-4.4	111.3
1227	K	35.4	Very low	31.9	Very low	190 Å²	190	148.1 Å²	148.1	83%	0.826	75%	0.751	S	S	*	*			trans	-150.7	150.4	173.9	-90.4	-165	174.6	-175.5	0	112
1228	I	33.9	Very low	32.4	Very low	138 Å²	138	147.7 Å²	147.7	71%	0.708	75%	0.754	S	S	*	*			cis	-147.6	-124.9	-4.3	-169.2	155.6	0	0	0	113.7
1229	L	32.8	Very low	32.3	Very low	139 Å²	139	149.4 Å²	149.4	73%	0.728	76%	0.755	S	S	*	*			trans	-149.2	-178.1	-164.9	-63.2	175.8	0	0	0	110.1
1230	N	30.4	Very low	32.2	Very low	131 Å²	131	151.8 Å²	151.8	70%	0.701	76%	0.757	S	S	*	*			cis	-145.9	166.2	13.4	-116.3	-4.6	0	0	0	108.1
1231	F	29.9	Very low	32.2	Very low	186 Å²	186	153.7 Å²	153.7	82%	0.816	75%	0.754	S	S	*	*				74	161.7	58.5	-85.9	-84.4	0	0	0	117.9
1232	T	30.4	Very low	32.2	Very low	128 Å²	128	148.5 Å²	148.5	79%	0.785	75%	0.748	S	S	*	*			trans	-124	-156.4	-155	51	0	0	0	0	114.6
1233	R	31.8	Very low	32	Very low	208 Å²	208	151.2 Å²	151.2	79%	0.785	75%	0.754	S	S	*	*			cis	-176.2	135	34.2	-172.1	177.4	177.7	-169.4	1.2	116.3
1234	N	30.4	Very low	31.9	Very low	116 Å²	116	152 Å²	152	62%	0.62	76%	0.758	S	S	*	*			trans	66.9	160.4	150.3	-69.9	19.5	0	0	0	126.2
1235	H	33.3	Very low	31.7	Very low	160 Å²	160	148.7 Å²	148.7	74%	0.741	75%	0.747	S	S	*	*			trans	84.4	137.7	153.3	-72.2	-63.7	0	0	0	120.3
1236	T	30.8	Very low	31.7	Very low	103 Å²	103	149.2 Å²	149.2	63%	0.632	74%	0.743	S	S	*	*			cis	-164	166.2	-22.4	-5	0	0	0	0	112.1
1237	D	30.2	Very low	31.3	Very low	146 Å²	146	144.6 Å²	144.6	78%	0.781	74%	0.736	S	S	*	*			trans	69.5	160.7	155.7	-65.4	-13.8	0	0	0	121.8
1238	P	42.4	Very low	30.9	Very low	109 Å²	109	143 Å²	143	71%	0.708	74%	0.737	S	S	*	*			cis	-140.6	-174.5	-35.5	39.1	-21.4	0	0	0	116
1239	K	31.3	Very low	30.5	Very low	167 Å²	167	139.1 Å²	139.1	73%	0.726	73%	0.731	S	S	*	*			trans	91	126.4	155.2	-77	169.9	162	-95.3	0	123.5
1240	E	29.8	Very low	30.3	Very low	140 Å²	140	140.7 Å²	140.7	65%	0.654	74%	0.738	S	S	*	*				86.8	142.9	129.8	-79.7	161.1	-146.3	0	0	126.7
1241	H	31.3	Very low	30.2	Very low	158 Å²	158	138.9 Å²	138.9	73%	0.731	74%	0.735	S	S	*	*			trans	77.2	94.5	150.6	-84.1	-66	0	0	0	126.1
1242	S	30.7	Very low	30.2	Very low	102 Å²	102	134.2 Å²	134.2	71%	0.713	73%	0.726	S	S	*	*				55.8	155.3	120.1	56.7	0	0	0	0	125.2
1243	L	27.3	Very low	30.1	Very low	161 Å²	161	133.4 Å²	133.4	84%	0.843	72%	0.721	S	S	*	*			trans	-90.5	147.7	-177.5	-51.1	88.3	0	0	0	115.1
1244	N	30.4	Very low	30	Very low	152 Å²	152	130.5 Å²	130.5	81%	0.813	72%	0.72	S	S	*	*			trans	178.6	142.3	144.7	-95.9	-43.5	0	0	0	107.4
1245	S	28.3	Very low	30.2	Very low	83 Å²	83	131.7 Å²	131.7	58%	0.58	73%	0.731	S	S	*	*			cis	99.9	142.6	40.4	87.5	0	0	0	0	113.3
1246	H	30.3	Very low	30.2	Very low	175 Å²	175	126.9 Å²	126.9	81%	0.81	73%	0.725	S	S	*	*			trans	65.1	139.5	-168.6	-60.8	-83.9	0	0	0	115.9
1247	L	26.1	Very low	30.4	Very low	145 Å²	145	130.3 Å²	130.3	76%	0.759	74%	0.736	S	S	*	*			cis	78.2	115.6	28.8	-82.1	172.8	0	0	0	116.9
1248	N	27.2	Very low	30.7	Very low	157 Å²	157	129.8 Å²	129.8	84%	0.84	73%	0.733	S	S	*	*			trans	62.9	139.5	176.4	-56.1	-21.1	0	0	0	114.1
1249	G	24.9	Very low	30.3	Very low	56 Å²	56	129.3 Å²	129.3	58%	0.577	73%	0.732	S	S	*	*			cis	119.6	151.3	14.8	0	0	0	0	0	109.1
1250	I	28.9	Very low	30.3	Very low	172 Å²	172	124.3 Å²	124.3	88%	0.882	73%	0.728	S	S	*	*			trans	70.7	138.2	-157.8	-41	153	0	0	0	108
1251	S	28	Very low	30.4	Very low	92 Å²	92	122.9 Å²	122.9	64%	0.643	73%	0.734	S	S	*	*			cis	-144.3	141.2	14.8	-139.4	0	0	0	0	109.2
1252	S	29.9	Very low	30.1	Very low	89 Å²	89	121.1 Å²	121.1	62%	0.622	73%	0.734	S	S	*	*				67.1	135	99.2	84.6	0	0	0	0	115.6
1253	T	30	Very low	30	Very low	111 Å²	111	123.4 Å²	123.4	68%	0.681	74%	0.737	S	S	*	*			cis	-171.8	166.4	4.5	9.6	0	0	0	0	110.2
1254	I	29	Very low	30.1	Very low	147 Å²	147	122.7 Å²	122.7	75%	0.754	74%	0.735	S	S	*	*			trans	34.2	118.2	138.4	-58.4	157.9	0	0	0	116.1
1255	T	34	Very low	30.2	Very low	140 Å²	140	120.3 Å²	120.3	86%	0.859	73%	0.73	S	S	*	*			cis	-123.8	156.2	38.1	47.9	0	0	0	0	114.3
1256	G	33.9	Very low	30.2	Very low	59 Å²	59	122.3 Å²	122.3	61%	0.608	74%	0.739	S	S	*	*			cis	136.2	146.2	-9.9	0	0	0	0	0	114
1257	M	34.9	Very low	30.2	Very low	175 Å²	175	120.9 Å²	120.9	86%	0.862	74%	0.736	S	S	*	*			trans	68.4	149.9	167.6	-63.3	-177.9	165.6	0	0	116
1258	N	35.4	Very low	30.3	Very low	135 Å²	135	119.7 Å²	119.7	72%	0.722	73%	0.734	S	S	*	*			cis	-161.6	167.8	-10.3	-105.8	-9.8	0	0	0	107.2
1259	S	35.4	Very low	30.2	Very low	100 Å²	100	119.8 Å²	119.8	70%	0.699	73%	0.734	S	S	*	*			cis	-157.7	165.3	-9.5	45.7	0	0	0	0	107.3
1260	G	30.7	Very low	30.6	Very low	61 Å²	61	122 Å²	122	63%	0.629	74%	0.738	S	S	*	*				53.8	121.4	85.2	0	0	0	0	0	112.1
1261	S	31.3	Very low	30.5	Very low	111 Å²	111	120.7 Å²	120.7	78%	0.776	73%	0.728	S	S	*	*				-157.5	137.9	53.8	26.8	0	0	0	0	110.6
1262	T	26.7	Very low	30.7	Very low	121 Å²	121	122.7 Å²	122.7	74%	0.742	73%	0.73	S	S	*	*				85	137.7	52.6	64.7	0	0	0	0	116.5
1263	L	27.4	Very low	30.4	Very low	149 Å²	149	122.5 Å²	122.5	78%	0.78	73%	0.734	S	S	*	*			trans	88.2	141.7	155.5	-71	157.2	0	0	0	120.7
1264	N	30.4	Very low	30.6	Very low	147 Å²	147	122.7 Å²	122.7	79%	0.786	74%	0.737	S	S	*	*			trans	69	139.2	164.8	-54.7	-20	0	0	0	117
1265	S	32	Very low	30.6	Very low	101 Å²	101	124.8 Å²	124.8	71%	0.706	74%	0.741	S	S	*	*			cis	-162.1	150.8	-6.9	42	0	0	0	0	112.2
1266	T	27.6	Very low	30.6	Very low	126 Å²	126	123.4 Å²	123.4	77%	0.773	73%	0.734	S	S	*	*			trans	18.2	123.5	145.2	-15.8	0	0	0	0	118.1
1267	I	30.7	Very low	30.9	Very low	145 Å²	145	126 Å²	126	74%	0.744	74%	0.741	S	S	*	*				-173.3	141.2	83.9	-93.3	167.5	0	0	0	111.2
1268	T	28.5	Very low	30.9	Very low	120 Å²	120	122 Å²	122	74%	0.736	74%	0.735	S	S	*	*			trans	28.9	130.7	161.5	64.7	0	0	0	0	121.1
1269	L	24.4	Very low	30.6	Very low	159 Å²	159	126.1 Å²	126.1	83%	0.832	74%	0.741	S	S	*	*				50.9	145	64	-77.5	172.4	0	0	0	115.4
1270	P	32.9	Very low	30.1	Very low	101 Å²	101	127.9 Å²	127.9	66%	0.656	75%	0.747	S	S	*	*			cis	-113.6	-138	2.9	26.7	-1.9	0	0	0	110.8
1271	E	28.6	Very low	30.1	Very low	146 Å²	146	133.6 Å²	133.6	68%	0.682	76%	0.755	S	S	*	*			cis	-163.3	176.8	2	-152.7	27.8	-69	0	0	113.3
1272	I	30.2	Very low	29.8	Very low	134 Å²	134	135.1 Å²	135.1	69%	0.687	75%	0.753	S	S	*	*			trans	-19.3	128.4	156.6	-72	152.9	0	0	0	114.9
1273	A	25.5	Very low	29.9	Very low	85 Å²	85	136.2 Å²	136.2	70%	0.702	75%	0.753	S	S	*	*				64.1	164.7	57.8	0	0	0	0	0	114.5
1274	P	32.9	Very low	29.9	Very low	115 Å²	115	135.7 Å²	135.7	75%	0.747	75%	0.75	S	S	*	*			cis	-92.8	173.6	-27.3	41.6	-31.6	0	0	0	110.8
1275	K	28.4	Very low	29.8	Very low	191 Å²	191	133.3 Å²	133.3	83%	0.83	75%	0.745	S	S	*	*			cis	61.8	147.1	47.2	-95.9	-174.1	-178.2	176.2	0	113.9
1276	P	35.9	Very low	29.6	Very low	111 Å²	111	135.6 Å²	135.6	72%	0.721	75%	0.749	S	S	*	*			cis	-135.9	-149.8	-16.4	49.3	-30.4	0	0	0	110.3
1277	P	39.5	Very low	29.8	Very low	114 Å²	114	135 Å²	135	74%	0.74	75%	0.75	S	S	*	*				-142.2	-160.2	-124.1	37.5	-10.6	0	0	0	115.9
1278	A	34.2	Very low	29.8	Very low	90 Å²	90	132.4 Å²	132.4	74%	0.744	75%	0.745	S	S	*	*			trans	79.1	155.1	138.2	0	0	0	0	0	120.7
1279	R	30.3	Very low	29.9	Very low	222 Å²	222	133.7 Å²	133.7	84%	0.838	75%	0.747	S	S	*	*			cis	-171	117.3	-37.3	-151.8	174.2	-174.3	169.7	2	107.1
1280	T	24.2	Very low	30.3	Very low	136 Å²	136	133.3 Å²	133.3	83%	0.834	75%	0.746	S	S	*	*			trans	-71.3	145.8	164.2	-45.7	0	0	0	0	109.1
1281	K	30.8	Very low	30	Very low	182 Å²	182	135.1 Å²	135.1	79%	0.791	75%	0.75	S	S	*	*			trans	-143.8	139.3	169.9	-128.8	-169.4	179.4	-164.3	0	111.3
1282	L	24.9	Very low	30.1	Very low	143 Å²	143	134.4 Å²	134.4	75%	0.749	76%	0.756	S	S	*	*			trans	-141.2	147.8	173.3	-80.9	168.7	0	0	0	107.3
1283	I	28.5	Very low	30	Very low	144 Å²	144	132 Å²	132	74%	0.738	75%	0.751	S	S	*	*			trans	64.2	141.3	137.7	-69.3	174.5	0	0	0	118
1284	I	28.1	Very low	30.2	Very low	137 Å²	137	134.8 Å²	134.8	70%	0.703	75%	0.754	S	S	*	*			cis	-168.3	149.5	-23.2	-126.5	169.7	0	0	0	108.5
1285	S	28	Very low	30	Very low	98 Å²	98	135.2 Å²	135.2	69%	0.685	75%	0.75	S	S	*	*			trans	59.1	165.9	159.9	73.7	0	0	0	0	120.5
1286	N	28.2	Very low	30.1	Very low	148 Å²	148	133.1 Å²	133.1	79%	0.791	75%	0.746	S	S	*	*			cis	-163.3	167.3	-38.4	-101.8	-4.5	0	0	0	109.9
1287	S	31.1	Very low	29.8	Very low	115 Å²	115	134.1 Å²	134.1	80%	0.804	75%	0.746	S	S	*	*			trans	68.4	147.7	162.9	70.3	0	0	0	0	118.3
1288	S	30.7	Very low	29.3	Very low	90 Å²	90	137.7 Å²	137.7	63%	0.629	75%	0.746	S	S	*	*			cis	-170.9	145.6	-21.6	49.1	0	0	0	0	110.8
1289	N	29.7	Very low	29.2	Very low	146 Å²	146	143.2 Å²	143.2	78%	0.781	75%	0.753	S	S	*	*			trans	64.2	133.2	159.7	-52.1	-3.9	0	0	0	115.8
1290	N	32.9	Very low	29.2	Very low	151 Å²	151	137.4 Å²	137.4	81%	0.807	75%	0.747	S	S	*	*			cis	-147.3	172.1	45.7	-102.3	-19.7	0	0	0	114.1
1291	D	28.2	Very low	29.8	Very low	139 Å²	139	136.8 Å²	136.8	74%	0.743	75%	0.745	S	S	*	*			trans	-69.1	174.1	-174.9	-63.4	-73	0	0	0	117.4
1292	T	30.4	Very low	29.9	Very low	132 Å²	132	133 Å²	133	81%	0.81	74%	0.741	S	S	*	*			trans	68.7	144.4	160.4	58.6	0	0	0	0	118.8
1293	S	27.1	Very low	30.1	Very low	84 Å²	84	137.2 Å²	137.2	59%	0.587	75%	0.747	S	S	*	*			cis	171.7	140.6	-42.2	45.9	0	0	0	0	107.2
1294	N	29.6	Very low	29.9	Very low	142 Å²	142	140.5 Å²	140.5	76%	0.759	75%	0.75	S	S	*	*			trans	69.6	148.8	163.4	-54.6	-17.4	0	0	0	114.8
1295	N	29.3	Very low	29.9	Very low	125 Å²	125	143.4 Å²	143.4	67%	0.668	75%	0.752	S	S	*	*			cis	-159.8	164.7	0.7	-130.1	-9.6	0	0	0	113.3
1296	I	30.8	Very low	29.9	Very low	146 Å²	146	143.6 Å²	143.6	75%	0.749	75%	0.754	S	S	*	*			trans	67.3	135.2	145.9	-71.7	160.7	0	0	0	119.3
1297	D	29.7	Very low	29.9	Very low	132 Å²	132	143 Å²	143	71%	0.706	76%	0.755	S	S	*	*			cis	-153.1	-122.2	-37.9	-164.8	-7.1	0	0	0	105.9
1298	Y	28.1	Very low	29.8	Very low	190 Å²	190	146.8 Å²	146.8	75%	0.745	76%	0.757	S	S	*	*			cis	-154.8	105.9	-10.2	-160.2	18.8	0	0	0	111.7
1299	K	32.4	Very low	29.7	Very low	206 Å²	206	146.8 Å²	146.8	90%	0.896	76%	0.757	S	S	*	*			trans	-166.1	116.1	154.9	-114.6	168.4	-173.2	177.5	0	113.9
1300	S	31.5	Very low	29.5	Very low	100 Å²	100	148.1 Å²	148.1	70%	0.699	76%	0.763	S	S	*	*			trans	-66.9	162.9	175.3	-52.6	0	0	0	0	113.3
1301	P	35.2	Very low	29.3	Very low	122 Å²	122	145.4 Å²	145.4	79%	0.792	76%	0.756	S	S	*	*			cis	-114.1	-167.4	15.1	33.3	-12.2	0	0	0	112.5
1302	S	33.1	Very low	29.3	Very low	102 Å²	102	143 Å²	143	71%	0.713	75%	0.75	S	S	*	*			cis	-152.7	-178.6	27.4	-63.8	0	0	0	0	113.8
1303	R	28.8	Very low	29.2	Very low	233 Å²	233	145.2 Å²	145.2	88%	0.879	75%	0.751	S	S	*	*			trans	-115.9	152.3	175.8	-64.3	174.4	168	156.7	-5.1	109.7
1304	W	25	Very low	29.4	Very low	212 Å²	212	148 Å²	148	80%	0.803	76%	0.76	S	S	*	*			cis	68.7	145.5	38.8	-68	68.3	0	0	0	112.5
1305	R	28.6	Very low	29.3	Very low	199 Å²	199	152.1 Å²	152.1	75%	0.751	77%	0.766	S	S	*	*			cis	-161.9	165.2	17.1	-170.8	178.8	-91.5	-153.9	-7.7	111.5
1306	S	28	Very low	29.3	Very low	102 Å²	102	149.9 Å²	149.9	71%	0.713	77%	0.772	S	S	*	*			trans	77.2	159.4	149.6	-108	0	0	0	0	118.2
1307	V	28.6	Very low	29.1	Very low	135 Å²	135	149 Å²	149	82%	0.818	78%	0.78	S	S	*	*			cis	-135.8	-179.7	6.2	-162.4	0	0	0	0	110
1308	K	28.5	Very low	29.2	Very low	194 Å²	194	147 Å²	147	84%	0.843	78%	0.782	S	S	*	*			trans	-99.7	-163	162.6	-49.6	-175.9	179.7	-178.4	0	110.6
1309	S	28.5	Very low	29.3	Very low	91 Å²	91	145.5 Å²	145.5	64%	0.636	79%	0.786	S	S	*	*			cis	-171.5	158.5	8.2	16.4	0	0	0	0	112
1310	L	25.3	Very low	29.1	Very low	174 Å²	174	144 Å²	144	91%	0.911	79%	0.787	S	S	*	*			trans	69.5	156.1	163.8	-66	158.9	0	0	0	115.8
1311	S	28.2	Very low	28.9	Very low	94 Å²	94	149.8 Å²	149.8	66%	0.657	80%	0.795	S	S	*	*			cis	-140.9	176.9	10.7	60	0	0	0	0	113.9
1312	S	29	Very low	28.6	Very low	87 Å²	87	146.3 Å²	146.3	61%	0.608	78%	0.781	S	S	*	*			trans	38.9	130.7	145.5	55.5	0	0	0	0	120.4
1313	E	28.9	Very low	28.5	Very low	179 Å²	179	147.6 Å²	147.6	84%	0.836	79%	0.787	S	S	*	*			cis	-144.3	169.8	4.4	-96.7	133.7	-149.7	0	0	107
1314	D	29.8	Very low	28.4	Very low	143 Å²	143	144.7 Å²	144.7	77%	0.765	78%	0.784	S	S	*	*			cis	-161.6	-177.9	48.1	-151.9	-19.8	0	0	0	112
1315	Y	27.6	Very low	28.6	Very low	228 Å²	228	139.8 Å²	139.8	89%	0.894	78%	0.779	S	S	*	*			trans	-71.5	156.4	-168.2	-77.4	-104.6	0	0	0	116.8
1316	G	29.7	Very low	28.5	Very low	78 Å²	78	141.8 Å²	141.8	80%	0.804	79%	0.788	S	S	*	*			trans	161.5	66.7	166.3	0	0	0	0	0	117
1317	S	27.2	Very low	28.3	Very low	129 Å²	129	142 Å²	142	90%	0.902	79%	0.788	S	S	*	*			trans	-83.5	127.8	175.8	44.4	0	0	0	0	112.9
1318	A	31.5	Very low	28.3	Very low	90 Å²	90	144.1 Å²	144.1	74%	0.744	79%	0.79	S	S	*	*			trans	-132.1	109.4	175	0	0	0	0	0	111.4	L1320	A1318-L1320 PolarHBondContact O-N 3.47Å
1319	N	29.5	Very low	28.5	Very low	158 Å²	158	140 Å²	140	85%	0.845	78%	0.782	S	S	*	*			trans	-77	106.8	176.8	-83.3	-37.7	0	0	0	111	Y1321	N1319-Y1321 VanDerWaalsContact C-N 3.29Å; N1319-Y1321 PolarHBondContact O-N 2.88Å
1320	L	28.7	Very low	28.4	Very low	174 Å²	174	141.2 Å²	141.2	91%	0.911	79%	0.786	S	S	*	*			trans	-79.1	69.7	176.1	-86.1	164.2	0	0	0	112.6	A1318 G1322	A1318-L1320 PolarHBondContact O-N 3.47Å; L1320-G1322 VanDerWaalsContact C-N 3.29Å; L1320-G1322 PolarHBondContact O-N 2.85Å; L1320-G1322 VanDerWaalsContact O-N 3.09Å
1321	Y	27.6	Very low	28.4	Very low	222 Å²	222	140.4 Å²	140.4	87%	0.871	78%	0.781	S	S	*	*			trans	-78.1	79.7	161.6	-94.9	-79.5	0	0	0	110.4	N1319	N1319-Y1321 VanDerWaalsContact C-N 3.29Å; N1319-Y1321 PolarHBondContact O-N 2.88Å
1322	G	28.7	Very low	28.3	Very low	48 Å²	48	139.1 Å²	139.1	50%	0.495	77%	0.765	S	S	.	*			trans	-74.2	143.1	163.3	0	0	0	0	0	110.7	L1320 Q1324	L1320-G1322 VanDerWaalsContact C-N 3.29Å; L1320-G1322 PolarHBondContact O-N 2.85Å; L1320-G1322 VanDerWaalsContact O-N 3.09Å; G1322-Q1324 PolarHBondContact O-N 2.77Å; G1322-Q1324 VanDerWaalsContact O-N 3.15Å
1323	P	31.2	Very low	28.2	Very low	130 Å²	130	139.5 Å²	139.5	84%	0.844	77%	0.768	S	S	*	*			trans	-66.8	115.1	179.3	27.3	-33.7	0	0	0	110.3
1324	Q	27.1	Very low	28	Very low	172 Å²	172	138.2 Å²	138.2	80%	0.804	76%	0.761	S	S	*	*			trans	-69.1	135.1	170.7	-74.7	-164.9	-16.9	0	0	110.1	G1322 Y1326	G1322-Q1324 PolarHBondContact O-N 2.77Å; G1322-Q1324 VanDerWaalsContact O-N 3.15Å; Q1324-Y1326 PolarHBondContact O-N 3.21Å
1325	P	27.9	Very low	27.7	Very low	109 Å²	109	138.8 Å²	138.8	71%	0.708	76%	0.757	S	S	*	*			trans	-69.1	115.8	170.9	28.5	-32.3	0	0	0	109.2	C1327	P1325-C1327 PolarHBondContact O-N 3.44Å
1326	Y	27.2	Very low	27.5	Very low	240 Å²	240	134.6 Å²	134.6	94%	0.941	75%	0.749	S	S	*	*			trans	-67.9	81.8	172.8	-93.2	-86.6	0	0	0	110.8	Q1324	Q1324-Y1326 PolarHBondContact O-N 3.21Å
1327	C	24.2	Very low	27.2	Very low	106 Å²	106	137.8 Å²	137.8	72%	0.716	75%	0.745	S	S	*	*			trans	-92.2	131.4	172	-86	0	0	0	0	110.9	P1325	P1325-C1327 PolarHBondContact O-N 3.44Å
1328	Q	28.8	Very low	27.1	Very low	181 Å²	181	137.1 Å²	137.1	85%	0.846	74%	0.736	S	S	*	*			trans	78.1	151.8	176.9	-52	-166	3.8	0	0	117.4
1329	P	31.1	Very low	26.8	Very low	106 Å²	106	139.9 Å²	139.9	69%	0.688	73%	0.733	S	S	*	*			cis	-123.2	126.6	-17.3	30	-12	0	0	0	113.4
1330	T	26.6	Very low	26.6	Very low	118 Å²	118	143.2 Å²	143.2	72%	0.724	73%	0.734	S	S	*	*			trans	-125.2	81.2	149.3	37.8	0	0	0	0	108.7	E1332	T1330-E1332 PolarHBondContact O-N 3.47Å
1331	I	26.4	Very low	26.4	Very low	156 Å²	156	140.7 Å²	140.7	80%	0.8	72%	0.721	S	S	*	*			trans	-65.6	114.9	162.5	-66.7	178.5	0	0	0	106.5	S1333	I1331-S1333 PolarHBondContact O-N 2.89Å
1332	E	25.1	Very low	26.3	Very low	68 Å²	68	135.2 Å²	135.2	32%	0.318	71%	0.713	S	S	.	*			trans	-68	99	175.9	-60.1	172.4	135.2	0	0	109	R366 R490 T1330 H1334	R366-E1332 IonicContact CZ-OE1 3.72Å; R366-E1332 IonicContact NE-OE1 2.67Å; R366-E1332 VanDerWaalsContact NH2-CD 3.31Å; R366-E1332 IonicContact NH2-OE1 2.95Å; R366-E1332 PolarHBondContact NH2-OE1 2.9Å; R366-E1332 IonicContact NH2-OE2 2.72Å; R490-E1332 IonicContact CZ-OE2 2.79Å; R490-E1332 VanDerWaalsContact CZ-OE2 3.22Å; R490-E1332 IonicContact NH1-OE2 2.98Å; R490-E1332 PolarHBondContact NH1-OE2 3.37Å; R490-E1332 IonicContact NH2-OE1 2.7Å; R490-E1332 IonicContact NH2-OE2 3.81Å; R490-E1332 PolarHBondContact NH2-OE2 3.22Å; T1330-E1332 PolarHBondContact O-N 3.47Å; E1332-H1334 PolarHBondContact O-N 3.2Å
1333	S	26.7	Very low	26.2	Very low	95 Å²	95	141.4 Å²	141.4	66%	0.664	73%	0.728	S	S	*	*			trans	-74.3	48.5	177.4	46.7	0	0	0	0	113	I1331 K1335	I1331-S1333 PolarHBondContact O-N 2.89Å; S1333-K1335 PolarHBondContact O-N 3.4Å
1334	H	24.8	Very low	25.9	Very low	151 Å²	151	144.5 Å²	144.5	70%	0.699	73%	0.729	S	S	*	*			trans	-68.9	42.6	165.2	-79.9	-14.2	0	0	0	112	R366 F367 E1332	R366-H1334 PolarHBondContact NH1-NE2 2.92Å; R366-H1334 PolarHBondContact NH2-NE2 2.97Å; R366-H1334 VanDerWaalsContact NH2-NE2 3.2Å; F367-H1334 AromaticContact CZ-NE2 3.93Å; E1332-H1334 PolarHBondContact O-N 3.2Å
1335	K	24	Very low	25.9	Very low	156 Å²	156	143 Å²	143	68%	0.678	73%	0.726	S	S	*	*			trans	-141.2	53	169.5	-83.7	-164.3	170.7	-177.7	0	111.3	S1333 E1369	S1333-K1335 PolarHBondContact O-N 3.4Å; K1335-E1369 IonicContact NZ-OE1 2.78Å; K1335-E1369 PolarHBondContact NZ-OE1 3.22Å; K1335-E1369 IonicContact NZ-OE2 3.99Å; K1335-E1369 PolarHBondContact NZ-OE2 3.16Å
1336	I	23.8	Very low	26	Very low	140 Å²	140	145.6 Å²	145.6	72%	0.718	73%	0.734	S	S	*	*			trans	-122.2	67.1	156.2	-49.7	-175.6	0	0	0	109.6	V1338	I1336-V1338 HydrophobicContact CG2-CG2 3.94Å
1337	I	23.6	Very low	26	Very low	144 Å²	144	139.7 Å²	139.7	74%	0.738	72%	0.718	S	S	*	*			trans	-94.7	94.1	149.3	-66.6	179.9	0	0	0	105.8	Q1339	I1337-Q1339 HydrophobicContact CG2-CB 4.16Å; I1337-Q1339 HydrophobicContact CG2-CG 3.76Å; I1337-Q1339 PolarHBondContact O-N 3.39Å
1338	V	24.8	Very low	26.4	Very low	115 Å²	115	142.4 Å²	142.4	70%	0.697	73%	0.726	S	S	*	*			trans	-75.6	78	162.6	179.4	0	0	0	0	107.2	I1336 R1340	I1336-V1338 HydrophobicContact CG2-CG2 3.94Å; V1338-R1340 HydrophobicContact CG1-CG 4.11Å; V1338-R1340 PolarHBondContact O-N 2.8Å
1339	Q	25.1	Very low	26.4	Very low	149 Å²	149	138.7 Å²	138.7	70%	0.696	72%	0.72	S	S	*	*			trans	-69	92.1	156.6	-96.5	-179.5	-8.3	0	0	107.2	I1337 L1341	I1337-Q1339 HydrophobicContact CG2-CB 4.16Å; I1337-Q1339 HydrophobicContact CG2-CG 3.76Å; I1337-Q1339 PolarHBondContact O-N 3.39Å; Q1339-L1341 PolarHBondContact O-N 3.46Å
1340	R	24.5	Very low	26.5	Very low	228 Å²	228	141.4 Å²	141.4	86%	0.86	73%	0.728	S	S	*	*			trans	-65.6	80.8	151.9	-81.3	-172	177.6	-171.5	-0.3	107.8	V1338	V1338-R1340 HydrophobicContact CG1-CG 4.11Å; V1338-R1340 PolarHBondContact O-N 2.8Å
1341	L	26	Very low	26.7	Very low	120 Å²	120	142.9 Å²	142.9	63%	0.628	73%	0.732	S	S	*	*			trans	-62.3	129.9	151.2	-76.6	169.4	0	0	0	106.7	Q1339 Q1343	Q1339-L1341 PolarHBondContact O-N 3.46Å; L1341-Q1343 PolarHBondContact O-N 3.39Å
1342	P	24	Very low	27	Very low	108 Å²	108	143.4 Å²	143.4	70%	0.701	74%	0.737	S	S	*	*			trans	-71.9	94.6	173.6	29.4	-32.5	0	0	0	108.5
1343	Q	27.8	Very low	27.1	Very low	177 Å²	177	143.4 Å²	143.4	83%	0.827	76%	0.755	S	S	*	*			trans	-79.8	130	166.5	-70.2	-149.5	-11.6	0	0	109.4	L1341 N1345	L1341-Q1343 PolarHBondContact O-N 3.39Å; Q1343-N1345 PolarHBondContact O-N 2.99Å
1344	F	24.9	Very low	27.3	Very low	195 Å²	195	148.3 Å²	148.3	86%	0.855	77%	0.767	S	S	*	*			trans	-63.2	122	-178.6	-81.4	-113.2	0	0	0	110.6	L1346	F1344-L1346 VanDerWaalsContact C-N 3.34Å; F1344-L1346 PolarHBondContact O-N 3.45Å
1345	N	26.9	Very low	27.6	Very low	140 Å²	140	146.3 Å²	146.3	75%	0.749	77%	0.77	S	S	*	*			trans	-70.4	94.5	158.8	-98.2	-0.8	0	0	0	108.7	Q1343 N1347	Q1343-N1345 PolarHBondContact O-N 2.99Å; N1345-N1347 PolarHBondContact O-N 2.66Å
1346	L	28.8	Very low	27.7	Very low	164 Å²	164	142 Å²	142	86%	0.859	77%	0.77	S	S	*	*			trans	-70.2	87.2	157.5	-85.7	167.3	0	0	0	108.2	F1344 N1348	F1344-L1346 VanDerWaalsContact C-N 3.34Å; F1344-L1346 PolarHBondContact O-N 3.45Å; L1346-N1348 PolarHBondContact O-N 3.45Å; L1346-N1348 VanDerWaalsContact O-N 3.08Å
1347	N	28.4	Very low	27.9	Very low	116 Å²	116	146.8 Å²	146.8	62%	0.62	78%	0.781	S	S	*	*			trans	-58.2	112.6	168.7	-79	-9.9	0	0	0	109	N1345	N1345-N1347 PolarHBondContact O-N 2.66Å
1348	N	33.1	Very low	28.2	Very low	164 Å²	164	145.3 Å²	145.3	88%	0.877	78%	0.778	S	S	*	*			trans	-131.9	89.5	164.3	-131.1	1.1	0	0	0	108.3	L1346	L1346-N1348 PolarHBondContact O-N 3.45Å; L1346-N1348 VanDerWaalsContact O-N 3.08Å
1349	S	28.4	Very low	28.3	Very low	103 Å²	103	146.8 Å²	146.8	72%	0.72	78%	0.783	S	S	*	*			trans	-74.2	130.9	176	52.2	0	0	0	0	110.6
1350	N	33.7	Very low	28.3	Very low	162 Å²	162	148.2 Å²	148.2	87%	0.866	79%	0.789	S	S	*	*			trans	-156.3	129	144.6	-102.9	-28.6	0	0	0	110.7
1351	N	29.1	Very low	28.4	Very low	149 Å²	149	145.6 Å²	145.6	80%	0.797	79%	0.789	S	S	*	*			trans	-84.2	136.8	169.9	-73.8	-27.7	0	0	0	109.4
1352	N	33.2	Very low	28.3	Very low	168 Å²	168	145.8 Å²	145.8	90%	0.898	80%	0.8	S	S	*	*				178.4	135.5	119.4	-85.6	-23.3	0	0	0	108.5
1353	G	27.5	Very low	28.4	Very low	68 Å²	68	144.4 Å²	144.4	70%	0.701	79%	0.793	S	S	*	*			trans	-114	165.8	-175.1	0	0	0	0	0	113.3
1354	H	31.3	Very low	28.2	Very low	197 Å²	197	145.6 Å²	145.6	91%	0.912	79%	0.792	S	S	*	*			trans	-150.4	167.5	152.5	-112.4	59.8	0	0	0	110.1
1355	S	30.3	Very low	28.3	Very low	109 Å²	109	147.8 Å²	147.8	76%	0.762	80%	0.796	S	S	*	*			trans	-92.8	135.2	-162.5	54.7	0	0	0	0	115.3
1356	G	25.9	Very low	28.3	Very low	67 Å²	67	146.9 Å²	146.9	69%	0.691	80%	0.796	S	S	*	*			trans	85.1	116	138.6	0	0	0	0	0	118.5
1357	Y	28.4	Very low	28.1	Very low	240 Å²	240	147.9 Å²	147.9	94%	0.941	80%	0.796	S	S	*	*				-153.9	163.2	129.9	-112.5	-75.5	0	0	0	109.3
1358	T	30.7	Very low	28	Very low	112 Å²	112	153 Å²	153	69%	0.687	81%	0.808	S	S	*	*			trans	-104.9	146.6	-165	46.7	0	0	0	0	114.8
1359	D	25.5	Very low	27.5	Very low	147 Å²	147	152.9 Å²	152.9	79%	0.786	80%	0.802	S	S	*	*			trans	70.2	158.4	153.3	-63.2	-34.3	0	0	0	121.4
1360	Q	25.6	Very low	27.5	Very low	179 Å²	179	157 Å²	157	84%	0.836	82%	0.823	S	S	*	*			trans	66.6	87.2	169	-52.2	-166.6	16.1	0	0	118.3
1361	M	26.9	Very low	27.2	Very low	172 Å²	172	156.8 Å²	156.8	85%	0.847	82%	0.821	S	S	*	*				-163.5	127.7	106.2	-106.8	-63.5	171.4	0	0	112.1
1362	S	24	Very low	27.1	Very low	124 Å²	124	157.2 Å²	157.2	87%	0.867	82%	0.822	S	S	*	*			trans	-140.5	100.2	170.5	-177	0	0	0	0	109.7
1363	S	25.3	Very low	26.8	Very low	80 Å²	80	156.6 Å²	156.6	56%	0.559	82%	0.818	S	S	*	*			trans	-168.7	168	164.5	53.6	0	0	0	0	109.7
1364	Y	25.4	Very low	26.7	Very low	202 Å²	202	161.8 Å²	161.8	79%	0.792	83%	0.825	S	S	*	*			trans	64.2	72.4	176.5	-59.8	-78.2	0	0	0	117.5
1365	Y	26.7	Very low	26.5	Very low	240 Å²	240	159.6 Å²	159.6	94%	0.941	82%	0.82	S	S	*	*			trans	-142.1	91.8	132.9	-111.2	-75.6	0	0	0	110.5
1366	T	25.7	Very low	26.2	Very low	122 Å²	122	162.9 Å²	162.9	75%	0.748	82%	0.824	S	S	*	*			trans	-144.4	153.4	172	27.5	0	0	0	0	108.9
1367	Q	24.4	Very low	26.2	Very low	185 Å²	185	169.8 Å²	169.8	86%	0.864	83%	0.833	S	S	*	*			trans	67.1	94.4	-175.6	-56.6	-178.3	-40.9	0	0	115.6
1368	Y	26.3	Very low	26.1	Very low	224 Å²	224	164.4 Å²	164.4	88%	0.878	83%	0.825	S	S	*	*				-169.8	68.5	125.3	-99.1	-63.8	0	0	0	110.7
1369	E	23.5	Very low	25.7	Very low	160 Å²	160	168.8 Å²	168.8	75%	0.748	84%	0.836	S	S	*	*			trans	-126	120.7	153.1	-89.2	-166.5	143.8	0	0	107.3	K1335	K1335-E1369 IonicContact NZ-OE1 2.78Å; K1335-E1369 PolarHBondContact NZ-OE1 3.22Å; K1335-E1369 IonicContact NZ-OE2 3.99Å; K1335-E1369 PolarHBondContact NZ-OE2 3.16Å
1370	T	28.8	Very low	25.7	Very low	190 Å²	190	170.7 Å²	170.7	100%	1.166	84%	0.841	S	S	*	*			trans	-151.3	0	172.1	53.6	0	0	0	0	109.1

Retrieved 1,370 of 1,370 residues in 420 ms (Link to these results)

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