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Transcription initiation factor TFIID subunit 2

The TFIID basal transcription factor complex plays a major role in the initiation of RNA polymerase II (Pol II)-dependent transcription. TFIID recognizes and binds promoters with or without a TATA box via its subunit TBP, a TATA-box-binding protein, and promotes assembly of the pre-initiation complex (PIC). The TFIID complex consists of TBP and TBP-associated factors (TAFs), including TAF1, TAF2, TAF3, TAF4, TAF5, TAF6, TAF7, TAF8, TAF9, TAF10, TAF11, TAF12 and TAF13. TAF2 forms a promoter DNA binding subcomplex of TFIID, together with TAF7 and TAF1.

AlphaFold DB , UniProt , Accession A0A2K5MLS5, Species CERAT (Cercocebus atys, Sooty mangabey), Gene TAF2, Length 1,199 aa.

						>A0A2K5MLS5_CERAT|A0A2K5MLS5|TAF2
MPLTGVEPARMNRKKGDKGFESPRPYKLTHQVVCINNINFQRKSVVGFVELTVFPTVANLNRIKLNSKQCRIYRVRINDLEAAFIYNDPTLEVCHSESKQRNLNYFSNAYAAAVSAVDPDAGNGELCIKVPSELWKHVDELKVLKIHINFSLDQPKGGLHFVVPSVEGSMAERGAHVFSCGYQNSTRFWFPCVDSYSELCTWKLEFTVDAAMVAVSNGDLVETVYTHDMRKKTFHYMLTIPTAASNISLAIGPFEILVDPYMHEVTHFCLPQLLPLLKHTTSYLHEVFEFYEEILTCRYPYSCFKTVFIDEAYVEVAAYASMSIFSTNLLHSAMIIDETPLTRRCLAQSLAQQFFGCFISRMSWSDEWVLKGISGYIYGLWMKKTFGVNEYRHWIKEELDRIVAYELKTGGVLLHPIFGGGKEKDNPASHLHFSIKHPHTLSWEYYTMFQCKAHLVMRLIENRISMEFMLQVFNKLLSLASTASSQKFQSHMWSQMLVSTSGFLKSISNVSGKDIQPLIKQWVDQSGVVKFYGSFAFNRKRNVLELEIKQDYTSPGTQKYVGPLKVTVQELDGSFNHTLQIEENSLKHDIPCHSKSRRNKKKKIPLMNGEEVDMDLSAMDADSPLLWIRIDPDMSVLRKVEFEQADFMWQYQLRYERDVVAQQESILALEKFPTPASRLALTDILEQEQCFYRVRMSACFCLAKIANSMVSTWTGPPAMKSLFTRMFCCKSCPNIVKTNNFMSFQSYFLQKTMPVAMALLRDVHNLCPKEVLTFILDLIKYNDNRKNKFSDNYYRAEMIDALANSVTPAVSVNNEVRTLDNLNPDVRLILEEITRFLNMEKLLPSYRHTITVSCLRAIRVLQKNGHVPSDPALFKSYAEYGHFVDIRIAALEAVVDYTKVDRSYEELQWLLNMIQNDPVPYVRHKILNMLTKNPPFTKNMESPLCNEALVDQLWKLMNSGTSHDWRLRCGAVDLYFTLFGLSRPSCLPLPELGLVLNLKEKKAVLNPTIIPEAVAGNQEAANNPSSHPQLVGFQNPFSSSQDEEEIDMDTVHDSQAFISHHLNMLERPSTPGLSKYRPASSRSALIPQHSTGCDSTPTTKPQWSLELARKGTGKEQSPLEMGMHPVASAPLSVFTKESTASKHSDHHHHHHHEHKKKKKKHKHKHKHKHKHDSKEKDKEPFTFSSPASGRSIRSPSLSD
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.1	Very low	28.5	Very low	242 Å²	242	154.1 Å²	154.1	100%	1.192	87%	0.865	S	S	*	*				0	145.1	0	-74.1	172.5	167.7	0	0	108.4
2	P	32.3	Very low	28.2	Very low	123 Å²	123	154.5 Å²	154.5	80%	0.799	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-81.7	154.5	-179.2	34	-34.6	0	0	0	112
3	L	29.3	Very low	28.2	Very low	172 Å²	172	158.3 Å²	158.3	90%	0.901	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-97.5	145.4	155.3	-84.9	166.1	0	0	0	109
4	T	30.9	Very low	28	Very low	133 Å²	133	160.9 Å²	160.9	82%	0.816	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-73.2	140.5	-165.8	45.5	0	0	0	0	113.2
5	G	30.6	Very low	28	Very low	78 Å²	78	164.8 Å²	164.8	80%	0.804	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-70.4	156.6	176.1	0	0	0	0	0	113.6
6	V	28.6	Very low	27.8	Very low	140 Å²	140	159.3 Å²	159.3	85%	0.848	86%	0.858	S	S	*	*			trans	-118.3	124	167.3	177.6	0	0	0	0	106.9
7	E	25.8	Very low	27.9	Very low	177 Å²	177	158.1 Å²	158.1	83%	0.827	85%	0.851	S	S	*	*			trans	-67.9	137.1	178	-64.6	-170.9	123.1	0	0	111.1	A9	E7-A9 PolarHBondContact O-N 3.08Å
8	P	30	Very low	28.2	Very low	123 Å²	123	159.6 Å²	159.6	80%	0.799	85%	0.849	S	S	*	*			trans	-68.7	105.8	168.3	28.5	-32.2	0	0	0	109.1	R10	P8-R10 PolarHBondContact O-N 3.43Å
9	A	25.5	Very low	28.9	Very low	91 Å²	91	154.2 Å²	154.2	75%	0.752	83%	0.834	S	S	*	*			trans	-54.2	121.5	-173.7	0	0	0	0	0	112.4	E7 M11	E7-A9 PolarHBondContact O-N 3.08Å; A9-M11 PolarHBondContact O-N 3.17Å
10	R	26.6	Very low	30	Very low	236 Å²	236	155.6 Å²	155.6	89%	0.891	83%	0.833	S	S	*	*			trans	-64	96.8	173.9	-79.4	-178.5	169.1	175.9	-2.4	110.3	P8 N12	P8-R10 PolarHBondContact O-N 3.43Å; R10-N12 PolarHBondContact O-N 3.42Å
11	M	26.2	Very low	31.4	Very low	180 Å²	180	153.9 Å²	153.9	89%	0.887	82%	0.82	S	S	*	*			trans	-61.8	100.5	165.7	-86.7	-164.7	170.4	0	0	110.1	A9 R13	A9-M11 PolarHBondContact O-N 3.17Å; M11-R13 VanDerWaalsContact C-N 3.27Å; M11-R13 PolarHBondContact O-N 2.99Å
12	N	24.7	Very low	33	Very low	159 Å²	159	144 Å²	144	85%	0.85	77%	0.774	S	S	*	*			trans	-65.3	86.9	165.5	-89.2	-27.5	0	0	0	109.5	R10 K14	R10-N12 PolarHBondContact O-N 3.42Å; N12-K14 PolarHBondContact O-N 3.02Å
13	R	27.7	Very low	34.8	Very low	204 Å²	204	142.8 Å²	142.8	77%	0.77	77%	0.767	S	S	*	*			trans	-52.8	126	170.5	-74.4	-176	173.8	174.8	-2.1	109.1	M11 K15	M11-R13 VanDerWaalsContact C-N 3.27Å; M11-R13 PolarHBondContact O-N 2.99Å; R13-K15 PolarHBondContact O-N 2.94Å
14	K	26.1	Very low	37.1	Very low	195 Å²	195	135 Å²	135	85%	0.848	73%	0.725	S	S	*	*			trans	-56	132.5	171.4	-76.4	-177.9	175.2	178.3	0	108.9	N12 G16 D17	N12-K14 PolarHBondContact O-N 3.02Å; K14-G16 PolarHBondContact O-N 2.78Å; K14-D17 PolarHBondContact O-N 2.76Å
15	K	27.6	Very low	39.5	Very low	219 Å²	219	131.2 Å²	131.2	95%	0.952	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-1.7	-171	-101	-176.9	176.3	-179.8	0	116.6	R13	R13-K15 PolarHBondContact O-N 2.94Å
16	G	25.4	Very low	42.1	Very low	77 Å²	77	127.9 Å²	127.9	79%	0.794	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	-17.3	-175.5	0	0	0	0	0	116.2	K14	K14-G16 PolarHBondContact O-N 2.78Å
17	D	28.4	Very low	44.9	Very low	138 Å²	138	122.2 Å²	122.2	74%	0.738	63%	0.63	S	S	*	*			trans	-121.3	61.9	-170.9	-156.5	21.4	0	0	0	112.1	K14 G19	K14-D17 PolarHBondContact O-N 2.76Å; D17-G19 PolarHBondContact O-N 3.21Å
18	K	34.6	Very low	47.9	Very low	186 Å²	186	114 Å²	114	81%	0.809	59%	0.592	S	S	*	*			trans	-81	100.2	160	-76.3	-168.1	175.3	-168.3	0	108	F20	K18-F20 PolarHBondContact O-N 3.03Å
19	G	40.3	Very low	50.6	Low	56 Å²	56	108.3 Å²	108.3	58%	0.577	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-52.8	134.3	157.2	0	0	0	0	0	109	D17 E21	D17-G19 PolarHBondContact O-N 3.21Å; G19-E21 PolarHBondContact O-N 2.98Å; G19-E21 VanDerWaalsContact O-N 3.16Å
20	F	51.9	Low	53.8	Low	183 Å²	183	106.1 Å²	106.1	80%	0.803	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-65.3	116.6	-175.9	-92.6	-102.1	0	0	0	110.2	K18	K18-F20 PolarHBondContact O-N 3.03Å
21	E	59.1	Low	57	Low	119 Å²	119	95 Å²	95	56%	0.556	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-92.2	144.1	170.8	-65.4	-176.3	131.6	0	0	109.2	G19 H491	G19-E21 PolarHBondContact O-N 2.98Å; G19-E21 VanDerWaalsContact O-N 3.16Å; E21-H491 IonicContact OE1-CE1 2.64Å; E21-H491 PolarHBondContact OE1-CE1 3.25Å; E21-H491 VanDerWaalsContact OE1-CE1 3.25Å; E21-H491 IonicContact OE1-ND1 3.29Å; E21-H491 PolarHBondContact OE1-ND1 2.58Å
22	S	62.4	Low	60.3	Low	35 Å²	35	87.4 Å²	87.4	25%	0.245	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-50.6	135.7	177.5	49.5	0	0	0	0	111.6	R24	S22-R24 PolarHBondContact O-N 3.32Å
23	P	70.2	Confident	63.7	Low	98 Å²	98	79.8 Å²	79.8	64%	0.636	41%	0.41	S	S	*	.	S	Bend	trans	-69.4	-0.5	-178.6	29.1	-35.6	0	0	0	114.2	D120	P23-D120 VanDerWaalsContact CG-O 3.23Å; P23-D120 WeakPolarHBondContact CG-O 3.43Å
24	R	75.8	Confident	66.9	Low	8 Å²	8	70.1 Å²	70.1	3%	0.03	37%	0.374	C	S	.	.	S	Bend	trans	-77.3	140.7	176.1	-100.9	-177.7	-75.1	-80	-18.3	112.6	S22 Y26 P119 V193 S197 E198	S22-R24 PolarHBondContact O-N 3.32Å; R24-Y26 WeakPolarHBondContact CB-O 3.48Å; R24-Y26 VanDerWaalsContact CD-CZ 3.46Å; R24-Y26 WeakPolarHBondContact CD-OH 3.38Å; R24-Y26 HydrophobicContact CG-CE1 4.3Å; R24-Y26 PolarHBondContact O-N 3.33Å; R24-P119 PolarHBondContact NH1-O 2.87Å; R24-V193 VanDerWaalsContact NH1-CG1 3.26Å; R24-S197 PolarHBondContact NH2-OG 2.79Å; R24-E198 IonicContact CZ-OE1 3.33Å; R24-E198 VanDerWaalsContact NE-CD 3.27Å; R24-E198 IonicContact NE-OE1 2.69Å; R24-E198 PolarHBondContact NE-OE1 3.44Å; R24-E198 VanDerWaalsContact NH2-CG 3.3Å; R24-E198 IonicContact NH2-OE1 2.64Å; R24-E198 PolarHBondContact NH2-OE1 2.87Å
25	P	81.9	Confident	70.1	Confident	53 Å²	53	60.8 Å²	60.8	34%	0.344	33%	0.333	S	S	.	.	S	Bend	trans	-79.3	15	174.9	34.1	-36.6	0	0	0	114.3	T56 V57 L60	P25-T56 WeakPolarHBondContact CA-OG1 3.14Å; P25-T56 PolarHBondContact O-N 3.47Å; P25-T56 PolarHBondContact O-OG1 3.37Å; P25-T56 VanDerWaalsContact O-OG1 3.12Å; P25-V57 HydrophobicContact CB-CG1 3.54Å; P25-L60 HydrophobicContact CB-CD1 4.03Å; P25-L60 HydrophobicContact CG-CD1 3.68Å
26	Y	86.6	Confident	72.9	Confident	8 Å²	8	53.9 Å²	53.9	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	161.9	175.4	63.8	-96.4	0	0	0	109.4	R24 V53 F54 T56 L60 I63 K64 V193	R24-Y26 WeakPolarHBondContact CB-O 3.48Å; R24-Y26 VanDerWaalsContact CD-CZ 3.46Å; R24-Y26 WeakPolarHBondContact CD-OH 3.38Å; R24-Y26 HydrophobicContact CG-CE1 4.3Å; R24-Y26 PolarHBondContact O-N 3.33Å; Y26-V53 HydrophobicContact CD2-CG1 3.84Å; Y26-V53 HydrophobicContact CG-CG1 3.94Å; Y26-F54 CarbonylContact C-O 3.48Å; Y26-F54 VanDerWaalsContact CA-O 3.3Å; Y26-F54 WeakPolarHBondContact CA-O 3.13Å; Y26-T56 PolarHBondContact N-OG1 2.81Å; Y26-L60 HydrophobicContact CD1-CD1 4.23Å; Y26-L60 HydrophobicContact CD1-CD2 4.14Å; Y26-L60 HydrophobicContact CG-CD2 4.35Å; Y26-I63 HydrophobicContact CE1-CG2 4.01Å; Y26-K64 PolarHBondContact OH-O 2.66Å; Y26-V193 HydrophobicContact CE2-CG2 4.24Å; Y26-V193 WeakPolarHBondContact OH-CG2 3.5Å
27	K	86.7	Confident	75.7	Confident	22 Å²	22	53.4 Å²	53.4	10%	0.096	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	151.4	168.6	-71.2	-178	175.3	177.8	0	110.5	F54 T56 S490	K27-F54 PolarHBondContact N-O 2.67Å; K27-F54 PolarHBondContact O-N 2.86Å; K27-T56 HydrophobicContact CG-CG2 4.18Å; K27-S490 PolarHBondContact NZ-O 2.91Å
28	L	88.3	Confident	78.5	Confident	3 Å²	3	48 Å²	48	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	156	165.9	-65.9	177.3	0	0	0	110.3	L51 V53 V193 C200	L28-L51 HydrophobicContact CD1-CD2 4.09Å; L28-L51 HydrophobicContact CD2-CB 4.18Å; L28-L51 HydrophobicContact CD2-CD2 4.21Å; L28-V53 HydrophobicContact CD2-CB 4.46Å; L28-V53 HydrophobicContact CD2-CG2 3.77Å; L28-V193 HydrophobicContact CD1-CB 3.87Å; L28-V193 HydrophobicContact CD1-CG2 3.72Å; L28-C200 WeakPolarHBondContact CB-SG 3.36Å
29	T	87.7	Confident	81	Confident	4 Å²	4	41.4 Å²	41.4	3%	0.025	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	-40.8	178.4	55.4	0	0	0	0	114	T52 F54 T201 S490 W493	T29-T52 PolarHBondContact N-O 3.34Å; T29-F54 HydrophobicContact CG2-CD2 3.64Å; T29-F54 HydrophobicContact CG2-CE2 3.83Å; T29-F54 HydrophobicContact CG2-CG 4.28Å; T29-F54 WeakPolarHBondContact OG1-CD2 3.33Å; T29-F54 WeakPolarHBondContact OG1-CE2 3.2Å; T29-T201 PolarHBondContact O-N 3.15Å; T29-T201 PolarHBondContact O-OG1 2.97Å; T29-S490 VanDerWaalsContact CG2-OG 3.24Å; T29-S490 WeakPolarHBondContact CG2-OG 3.4Å; T29-W493 HydrophobicContact CG2-CZ3 4.45Å
30	H	91.7	Very high	83.2	Confident	46 Å²	46	39.8 Å²	39.8	21%	0.213	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	135.8	177.3	-168.3	69.8	0	0	0	110.8	T52 T201	H30-T52 VanDerWaalsContact O-CB 3.24Å; H30-T52 WeakPolarHBondContact O-CB 3.5Å; H30-T52 PolarHBondContact O-N 2.94Å; H30-T52 PolarHBondContact O-OG1 3.23Å; H30-T52 VanDerWaalsContact O-OG1 3.12Å; H30-T201 WeakPolarHBondContact CA-O 3.15Å; H30-T201 PolarHBondContact ND1-O 2.97Å; H30-T201 PolarHBondContact ND1-OG1 2.97Å
31	Q	93.9	Very high	84.7	Confident	1 Å²	1	39 Å²	39	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	137.8	173.9	-63	178.5	46.7	0	0	110.1	E50 L51 C200 T201 W202 K203	Q31-E50 CarbonylContact C-O 3.54Å; Q31-E50 VanDerWaalsContact CA-O 3.25Å; Q31-E50 WeakPolarHBondContact CA-O 3.47Å; Q31-L51 HydrophobicContact CG-CD2 4.28Å; Q31-L51 HydrophobicContact CG-CG 4.28Å; Q31-C200 PolarHBondContact NE2-SG 2.93Å; Q31-T201 PolarHBondContact N-O 3.03Å; Q31-W202 VanDerWaalsContact O-CA 3.26Å; Q31-W202 WeakPolarHBondContact O-CA 3.45Å; Q31-K203 PolarHBondContact O-N 3.31Å
32	V	95.6	Very high	86	Confident	21 Å²	21	42.1 Å²	42.1	13%	0.127	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.4	169.7	-172.4	0	0	0	0	107.9	V49 E50 K203	V32-V49 CarbonylContact O-C 3.35Å; V32-V49 VanDerWaalsContact O-CA 3.25Å; V32-V49 WeakPolarHBondContact O-CA 3.46Å; V32-E50 HydrophobicContact CB-CB 4.05Å; V32-E50 HydrophobicContact CB-CG 4.37Å; V32-E50 HydrophobicContact CG2-CB 4.34Å; V32-E50 PolarHBondContact N-O 2.6Å; V32-E50 PolarHBondContact O-N 2.76Å; V32-K203 CarbonylContact C-O 3.45Å; V32-K203 VanDerWaalsContact CA-O 3.29Å; V32-K203 WeakPolarHBondContact CA-O 3.3Å; V32-K203 HydrophobicContact CG1-CB 4.21Å; V32-K203 HydrophobicContact CG1-CD 4.15Å; V32-K203 HydrophobicContact CG1-CG 4.49Å; V32-K203 HydrophobicContact CG2-CB 4.26Å
33	V	95	Very high	87.2	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	117.6	172.5	-176.3	0	0	0	0	108	I35 V49 F190 K203 L204 E205	V33-I35 HydrophobicContact CG1-CG1 4.42Å; V33-V49 HydrophobicContact CG2-CG2 4.1Å; V33-F190 HydrophobicContact CG2-CD2 4.13Å; V33-F190 HydrophobicContact CG2-CE1 4.22Å; V33-F190 HydrophobicContact CG2-CE2 3.64Å; V33-F190 HydrophobicContact CG2-CZ 3.7Å; V33-K203 PolarHBondContact N-O 3.07Å; V33-L204 HydrophobicContact CB-CD2 3.81Å; V33-L204 HydrophobicContact CG2-CD2 3.94Å; V33-L204 WeakPolarHBondContact O-CA 3.49Å; V33-E205 PolarHBondContact O-N 2.91Å
34	C	94.9	Very high	88.3	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.1	177.9	-177.4	0	0	0	0	111.1	N36 G47 F48 E205	C34-N36 PolarHBondContact SG-OD1 2.88Å; C34-N36 VanDerWaalsContact SG-OD1 3.37Å; C34-G47 CarbonylContact O-C 3.49Å; C34-G47 WeakPolarHBondContact O-CA 3.39Å; C34-F48 HydrophobicContact CB-CD1 3.98Å; C34-F48 HydrophobicContact CB-CD2 4.44Å; C34-F48 HydrophobicContact CB-CE1 3.48Å; C34-F48 VanDerWaalsContact CB-CE1 3.48Å; C34-F48 HydrophobicContact CB-CE2 4Å; C34-F48 HydrophobicContact CB-CG 4.44Å; C34-F48 HydrophobicContact CB-CZ 3.49Å; C34-F48 VanDerWaalsContact CB-CZ 3.49Å; C34-F48 PolarHBondContact N-O 3.24Å; C34-F48 PolarHBondContact O-N 2.87Å; C34-E205 CarbonylContact C-O 3.49Å; C34-E205 WeakPolarHBondContact CA-O 3.35Å; C34-E205 HydrophobicContact CB-CB 4.05Å; C34-E205 HydrophobicContact CB-CG 4.49Å
35	I	93.6	Very high	89	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	107.8	178	-53	-175.1	0	0	0	108.7	V33 I38 V45 W189 E205 F206 T207 L249	V33-I35 HydrophobicContact CG1-CG1 4.42Å; I35-I38 HydrophobicContact CG2-CD1 3.84Å; I35-I38 HydrophobicContact CG2-CG1 3.58Å; I35-V45 HydrophobicContact CD1-CG1 4.29Å; I35-V45 HydrophobicContact CG2-CG1 3.44Å; I35-V45 VanDerWaalsContact CG2-CG1 3.44Å; I35-W189 HydrophobicContact CD1-CZ2 4.02Å; I35-E205 PolarHBondContact N-O 3.37Å; I35-F206 HydrophobicContact CB-CD1 4.1Å; I35-F206 HydrophobicContact CD1-CD1 3.86Å; I35-F206 HydrophobicContact CD1-CE1 3.75Å; I35-F206 HydrophobicContact CG1-CD1 3.97Å; I35-F206 HydrophobicContact CG1-CE1 4.06Å; I35-T207 WeakPolarHBondContact O-CB 3.11Å; I35-T207 PolarHBondContact O-N 3.06Å; I35-L249 HydrophobicContact CD1-CD2 3.99Å
36	N	87	Confident	89.6	Confident	73 Å²	73	39.4 Å²	39.4	39%	0.39	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-30.1	-170.2	-69	-44.4	0	0	0	113.3	C34 V46	C34-N36 PolarHBondContact SG-OD1 2.88Å; C34-N36 VanDerWaalsContact SG-OD1 3.37Å; N36-V46 PolarHBondContact N-O 2.85Å; N36-V46 VanDerWaalsContact N-O 3.1Å
37	N	84.2	Confident	89.9	Confident	68 Å²	68	39.1 Å²	39.1	36%	0.364	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	124	-176.5	-159.9	21.1	0	0	0	111	V46 K231	N37-V46 HydrophobicContact CB-CG2 3.76Å; N37-V46 PolarHBondContact O-N 3.49Å; N37-V46 VanDerWaalsContact O-N 3.15Å; N37-K231 PolarHBondContact OD1-NZ 3.2Å
38	I	87.4	Confident	90.3	Very high	23 Å²	23	40.3 Å²	40.3	12%	0.118	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.8	175	-66	173.7	0	0	0	107	I35 F40 V45 F161 V177 V208 I251	I35-I38 HydrophobicContact CG2-CD1 3.84Å; I35-I38 HydrophobicContact CG2-CG1 3.58Å; I38-F40 HydrophobicContact CG2-CE2 4.38Å; I38-V45 HydrophobicContact CG1-CG1 4.21Å; I38-V45 HydrophobicContact CG1-CG2 4.33Å; I38-F161 HydrophobicContact CG2-CE1 4.02Å; I38-F161 HydrophobicContact CG2-CZ 4.16Å; I38-V177 HydrophobicContact CG2-CG1 4.15Å; I38-V208 HydrophobicContact CD1-CG1 4.36Å; I38-I251 HydrophobicContact CD1-CD1 3.25Å
39	N	87.2	Confident	90.7	Very high	49 Å²	49	40.1 Å²	40.1	26%	0.262	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	101.1	-173.5	-174	-34.2	0	0	0	110.2	Q41 R42 K43 S44	N39-Q41 VanDerWaalsContact C-N 3.33Å; N39-Q41 PolarHBondContact O-N 3.45Å; N39-Q41 WeakPolarHBondContact OD1-CB 3.47Å; N39-Q41 PolarHBondContact OD1-N 3.47Å; N39-R42 HydrophobicContact CB-CB 4.45Å; N39-R42 PolarHBondContact O-N 3.47Å; N39-R42 PolarHBondContact OD1-N 2.94Å; N39-K43 VanDerWaalsContact O-CA 3.27Å; N39-K43 WeakPolarHBondContact O-CA 3.18Å; N39-K43 PolarHBondContact O-N 3.25Å; N39-S44 PolarHBondContact N-O 2.74Å; N39-S44 PolarHBondContact O-N 3.35Å; N39-S44 VanDerWaalsContact O-N 3.09Å
40	F	85.3	Confident	91.1	Very high	22 Å²	22	43 Å²	43	10%	0.096	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-33.6	178.2	-70	-82.7	0	0	0	113.6	I38 K43 F161 V163 M170 V177 M212 I251	I38-F40 HydrophobicContact CG2-CE2 4.38Å; F40-K43 PolarHBondContact O-N 3.25Å; F40-F161 AromaticContact CD1-CD1 3.92Å; F40-F161 HydrophobicContact CD1-CD1 3.92Å; F40-F161 HydrophobicContact CD1-CE1 4.11Å; F40-F161 HydrophobicContact CE1-CD1 4.3Å; F40-F161 HydrophobicContact CE1-CE1 4.39Å; F40-V163 HydrophobicContact CD1-CG2 4.34Å; F40-M170 HydrophobicContact CB-SD 4.17Å; F40-V177 HydrophobicContact CE1-CB 3.95Å; F40-V177 HydrophobicContact CE1-CG1 3.77Å; F40-V177 HydrophobicContact CZ-CG1 3.83Å; F40-M212 HydrophobicContact CE2-CE 4.47Å; F40-I251 HydrophobicContact CZ-CG2 4.4Å
41	Q	84.1	Confident	91.2	Very high	167 Å²	167	40.8 Å²	40.8	78%	0.78	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-40.9	179.3	-66	-178.1	-14.4	0	0	112.3	N39	N39-Q41 VanDerWaalsContact C-N 3.33Å; N39-Q41 PolarHBondContact O-N 3.45Å; N39-Q41 WeakPolarHBondContact OD1-CB 3.47Å; N39-Q41 PolarHBondContact OD1-N 3.47Å
42	R	86.2	Confident	91.1	Very high	184 Å²	184	42 Å²	42	69%	0.694	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-7.6	176.7	-67.1	-169.2	175.7	-159.2	-1.3	113.5	N39 S44	N39-R42 HydrophobicContact CB-CB 4.45Å; N39-R42 PolarHBondContact O-N 3.47Å; N39-R42 PolarHBondContact OD1-N 2.94Å; R42-S44 VanDerWaalsContact C-N 3.27Å; R42-S44 PolarHBondContact O-N 3.28Å
43	K	89.1	Confident	90.9	Very high	75 Å²	75	41 Å²	41	33%	0.326	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	51.6	-167.9	-57.8	-171.3	176.5	-154.3	0	111.2	N39 F40 Q154 P155 F161	N39-K43 VanDerWaalsContact O-CA 3.27Å; N39-K43 WeakPolarHBondContact O-CA 3.18Å; N39-K43 PolarHBondContact O-N 3.25Å; F40-K43 PolarHBondContact O-N 3.25Å; K43-Q154 HydrophobicContact CB-CG 4.4Å; K43-Q154 WeakPolarHBondContact O-CA 3.42Å; K43-Q154 PolarHBondContact O-N 3.49Å; K43-P155 VanDerWaalsContact O-CD 3.25Å; K43-P155 WeakPolarHBondContact O-CD 3.4Å; K43-F161 HydrophobicContact CB-CB 4.26Å; K43-F161 HydrophobicContact CB-CD1 4.36Å; K43-F161 HydrophobicContact CB-CD2 4.09Å; K43-F161 HydrophobicContact CB-CE2 4.48Å; K43-F161 HydrophobicContact CB-CG 4.02Å; K43-F161 HydrophobicContact CD-CB 3.79Å; K43-F161 HydrophobicContact CD-CG 4.46Å; K43-F161 HydrophobicContact CG-CB 3.97Å; K43-F161 HydrophobicContact CG-CD1 4.36Å; K43-F161 HydrophobicContact CG-CG 4.14Å; K43-F161 PolarHBondContact NZ-O 2.89Å
44	S	91.4	Very high	90.6	Very high	14 Å²	14	44.7 Å²	44.7	10%	0.098	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	146.1	-170.8	174.3	0	0	0	0	111.5	N39 R42 L152 D153	N39-S44 PolarHBondContact N-O 2.74Å; N39-S44 PolarHBondContact O-N 3.35Å; N39-S44 VanDerWaalsContact O-N 3.09Å; R42-S44 VanDerWaalsContact C-N 3.27Å; R42-S44 PolarHBondContact O-N 3.28Å; S44-L152 CarbonylContact C-O 3.54Å; S44-L152 WeakPolarHBondContact CA-O 3.37Å; S44-L152 PolarHBondContact OG-O 2.9Å; S44-D153 WeakPolarHBondContact CB-OD1 3.28Å; S44-D153 PolarHBondContact OG-OD1 3.31Å
45	V	92.3	Very high	90.3	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.4	-176.2	-178	0	0	0	0	109.3	I35 I38 S151 L152 L159 F161	I35-V45 HydrophobicContact CD1-CG1 4.29Å; I35-V45 HydrophobicContact CG2-CG1 3.44Å; I35-V45 VanDerWaalsContact CG2-CG1 3.44Å; I38-V45 HydrophobicContact CG1-CG1 4.21Å; I38-V45 HydrophobicContact CG1-CG2 4.33Å; V45-S151 CarbonylContact O-C 3.57Å; V45-S151 VanDerWaalsContact O-CA 3.31Å; V45-S151 WeakPolarHBondContact O-CA 3.17Å; V45-L152 HydrophobicContact CB-CB 4.36Å; V45-L152 PolarHBondContact N-O 2.89Å; V45-L152 PolarHBondContact O-N 3.38Å; V45-L159 HydrophobicContact CG2-CD1 3.83Å; V45-F161 HydrophobicContact CG2-CE2 4.02Å; V45-F161 HydrophobicContact CG2-CZ 3.67Å
46	V	92.9	Very high	89.8	Confident	46 Å²	46	48.5 Å²	48.5	28%	0.279	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.8	173.9	-59.7	0	0	0	0	111.2	N36 N37	N36-V46 PolarHBondContact N-O 2.85Å; N36-V46 VanDerWaalsContact N-O 3.1Å; N37-V46 HydrophobicContact CB-CG2 3.76Å; N37-V46 PolarHBondContact O-N 3.49Å; N37-V46 VanDerWaalsContact O-N 3.15Å
47	G	93.7	Very high	89.8	Confident	2 Å²	2	48.4 Å²	48.4	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	179.3	-174.9	0	0	0	0	0	113.3	C34 N149 F150	C34-G47 CarbonylContact O-C 3.49Å; C34-G47 WeakPolarHBondContact O-CA 3.39Å; G47-N149 PolarHBondContact O-OD1 2.8Å; G47-F150 PolarHBondContact N-O 2.91Å; G47-F150 WeakPolarHBondContact O-CD1 3.36Å; G47-F150 PolarHBondContact O-N 3.41Å
48	F	95.1	Very high	89.5	Confident	47 Å²	47	47.2 Å²	47.2	21%	0.206	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	153.8	172.1	65.7	-85.5	0	0	0	110.9	C34 E50 H147 I148	C34-F48 HydrophobicContact CB-CD1 3.98Å; C34-F48 HydrophobicContact CB-CD2 4.44Å; C34-F48 HydrophobicContact CB-CE1 3.48Å; C34-F48 VanDerWaalsContact CB-CE1 3.48Å; C34-F48 HydrophobicContact CB-CE2 4Å; C34-F48 HydrophobicContact CB-CG 4.44Å; C34-F48 HydrophobicContact CB-CZ 3.49Å; C34-F48 VanDerWaalsContact CB-CZ 3.49Å; C34-F48 PolarHBondContact N-O 3.24Å; C34-F48 PolarHBondContact O-N 2.87Å; F48-E50 HydrophobicContact CD2-CG 4.09Å; F48-E50 HydrophobicContact CE2-CG 4.11Å; F48-H147 AromaticContact CD2-CD2 3.7Å; F48-H147 AromaticContact CD2-NE2 3.41Å; F48-H147 WeakPolarHBondContact CD2-NE2 3.31Å; F48-H147 AromaticContact CG-NE2 3.57Å; F48-I148 CarbonylContact C-O 3.54Å; F48-I148 WeakPolarHBondContact CA-O 3.38Å; F48-I148 WeakPolarHBondContact CB-O 3.45Å
49	V	96.1	Very high	89.3	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.7	171.4	57.5	0	0	0	0	109.3	V32 V33 L51 H147 I148 F150 F190	V32-V49 CarbonylContact O-C 3.35Å; V32-V49 VanDerWaalsContact O-CA 3.25Å; V32-V49 WeakPolarHBondContact O-CA 3.46Å; V33-V49 HydrophobicContact CG2-CG2 4.1Å; V49-L51 HydrophobicContact CB-CD1 4.46Å; V49-L51 HydrophobicContact CG1-CD1 3.99Å; V49-L51 HydrophobicContact CG2-CD1 3.81Å; V49-L51 HydrophobicContact CG2-CG 4.07Å; V49-H147 WeakPolarHBondContact O-CA 3.18Å; V49-I148 HydrophobicContact CG1-CB 3.9Å; V49-I148 HydrophobicContact CG1-CG1 4.5Å; V49-I148 PolarHBondContact N-O 3.43Å; V49-I148 PolarHBondContact O-N 3.1Å; V49-F150 HydrophobicContact CB-CE1 4.24Å; V49-F150 HydrophobicContact CG1-CD1 4.3Å; V49-F150 HydrophobicContact CG1-CE1 4.12Å; V49-F190 HydrophobicContact CB-CD2 4.31Å; V49-F190 HydrophobicContact CG2-CD2 4.05Å; V49-F190 HydrophobicContact CG2-CE2 4.19Å
50	E	95.5	Very high	89.2	Confident	63 Å²	63	49.4 Å²	49.4	29%	0.294	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128	167.7	-53.5	-163.9	154.6	0	0	109.5	Q31 V32 F48 I146 H147	Q31-E50 CarbonylContact C-O 3.54Å; Q31-E50 VanDerWaalsContact CA-O 3.25Å; Q31-E50 WeakPolarHBondContact CA-O 3.47Å; V32-E50 HydrophobicContact CB-CB 4.05Å; V32-E50 HydrophobicContact CB-CG 4.37Å; V32-E50 HydrophobicContact CG2-CB 4.34Å; V32-E50 PolarHBondContact N-O 2.6Å; V32-E50 PolarHBondContact O-N 2.76Å; F48-E50 HydrophobicContact CD2-CG 4.09Å; F48-E50 HydrophobicContact CE2-CG 4.11Å; E50-I146 CarbonylContact C-O 3.6Å; E50-I146 VanDerWaalsContact CA-O 3.27Å; E50-I146 WeakPolarHBondContact CA-O 3.4Å; E50-H147 IonicContact OE1-CD2 3.41Å
51	L	94.5	Very high	89.3	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.9	176	-59.1	98.8	0	0	0	110.1	L28 Q31 V49 V53 L65 I146 I148	L28-L51 HydrophobicContact CD1-CD2 4.09Å; L28-L51 HydrophobicContact CD2-CB 4.18Å; L28-L51 HydrophobicContact CD2-CD2 4.21Å; Q31-L51 HydrophobicContact CG-CD2 4.28Å; Q31-L51 HydrophobicContact CG-CG 4.28Å; V49-L51 HydrophobicContact CB-CD1 4.46Å; V49-L51 HydrophobicContact CG1-CD1 3.99Å; V49-L51 HydrophobicContact CG2-CD1 3.81Å; V49-L51 HydrophobicContact CG2-CG 4.07Å; L51-V53 HydrophobicContact CB-CG2 4.45Å; L51-L65 HydrophobicContact CD2-CD2 3.71Å; L51-I146 HydrophobicContact CB-CB 4.49Å; L51-I146 PolarHBondContact N-O 3.29Å; L51-I146 PolarHBondContact O-N 2.97Å; L51-I148 HydrophobicContact CD1-CD1 4.01Å; L51-I148 HydrophobicContact CD1-CG1 4.44Å
52	T	92.8	Very high	89.5	Confident	25 Å²	25	51.1 Å²	51.1	15%	0.153	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	106.5	173.6	-49.7	0	0	0	0	108.9	T29 H30 F54 V143	T29-T52 PolarHBondContact N-O 3.34Å; H30-T52 VanDerWaalsContact O-CB 3.24Å; H30-T52 WeakPolarHBondContact O-CB 3.5Å; H30-T52 PolarHBondContact O-N 2.94Å; H30-T52 PolarHBondContact O-OG1 3.23Å; H30-T52 VanDerWaalsContact O-OG1 3.12Å; T52-F54 HydrophobicContact CG2-CD2 4.39Å; T52-F54 HydrophobicContact CG2-CE2 3.85Å; T52-V143 HydrophobicContact CG2-CG1 3.42Å; T52-V143 VanDerWaalsContact CG2-CG1 3.42Å
53	V	90.8	Very high	89.7	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.5	-174.9	-172.4	0	0	0	0	110.3	Y26 L28 L51 I63 L144 I146	Y26-V53 HydrophobicContact CD2-CG1 3.84Å; Y26-V53 HydrophobicContact CG-CG1 3.94Å; L28-V53 HydrophobicContact CD2-CB 4.46Å; L28-V53 HydrophobicContact CD2-CG2 3.77Å; L51-V53 HydrophobicContact CB-CG2 4.45Å; V53-I63 HydrophobicContact CG1-CD1 4.46Å; V53-L144 HydrophobicContact CB-CB 4.4Å; V53-L144 PolarHBondContact N-O 3.23Å; V53-L144 PolarHBondContact O-N 2.91Å; V53-I146 HydrophobicContact CG2-CD1 3.72Å; V53-I146 HydrophobicContact CG2-CG1 3.97Å
54	F	88.4	Confident	89.8	Confident	78 Å²	78	42.1 Å²	42.1	34%	0.342	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	107.5	171.7	-78.6	-110.9	0	0	0	108.7	Y26 K27 T29 T52 V143	Y26-F54 CarbonylContact C-O 3.48Å; Y26-F54 VanDerWaalsContact CA-O 3.3Å; Y26-F54 WeakPolarHBondContact CA-O 3.13Å; K27-F54 PolarHBondContact N-O 2.67Å; K27-F54 PolarHBondContact O-N 2.86Å; T29-F54 HydrophobicContact CG2-CD2 3.64Å; T29-F54 HydrophobicContact CG2-CE2 3.83Å; T29-F54 HydrophobicContact CG2-CG 4.28Å; T29-F54 WeakPolarHBondContact OG1-CD2 3.33Å; T29-F54 WeakPolarHBondContact OG1-CE2 3.2Å; T52-F54 HydrophobicContact CG2-CD2 4.39Å; T52-F54 HydrophobicContact CG2-CE2 3.85Å; F54-V143 HydrophobicContact CD1-CG2 4Å; F54-V143 HydrophobicContact CD2-CG1 4.04Å; F54-V143 HydrophobicContact CD2-CG2 4.34Å; F54-V143 HydrophobicContact CE1-CG2 3.52Å; F54-V143 HydrophobicContact CE2-CB 4.46Å; F54-V143 HydrophobicContact CE2-CG1 3.7Å; F54-V143 HydrophobicContact CE2-CG2 3.87Å; F54-V143 HydrophobicContact CG-CG2 4.4Å; F54-V143 HydrophobicContact CZ-CB 4.47Å; F54-V143 HydrophobicContact CZ-CG1 4.14Å; F54-V143 HydrophobicContact CZ-CG2 3.45Å; F54-V143 VanDerWaalsContact CZ-CG2 3.45Å
55	P	87.9	Confident	89.9	Confident	10 Å²	10	41.6 Å²	41.6	7%	0.065	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	138	173.4	-20.9	33.1	0	0	0	111	L60 L141 K142	P55-L60 HydrophobicContact CB-CD2 4.06Å; P55-L60 HydrophobicContact CG-CD2 4.34Å; P55-L141 HydrophobicContact CB-CD2 4.25Å; P55-K142 WeakPolarHBondContact CD-O 3.39Å
56	T	84.6	Confident	89.8	Confident	70 Å²	70	41.6 Å²	41.6	43%	0.429	21%	0.213	S	C	.	.	S	Bend	trans	-105.8	-4.5	172.8	57.9	0	0	0	0	112.7	P25 Y26 K27	P25-T56 WeakPolarHBondContact CA-OG1 3.14Å; P25-T56 PolarHBondContact O-N 3.47Å; P25-T56 PolarHBondContact O-OG1 3.37Å; P25-T56 VanDerWaalsContact O-OG1 3.12Å; Y26-T56 PolarHBondContact N-OG1 2.81Å; K27-T56 HydrophobicContact CG-CG2 4.18Å
57	V	86.3	Confident	89.7	Confident	71 Å²	71	39.4 Å²	39.4	43%	0.43	20%	0.2	S	C	.	.	S	Bend	trans	-141.3	144.7	177.4	76.5	0	0	0	0	110.6	P25	P25-V57 HydrophobicContact CB-CG1 3.54Å
58	A	78.8	Confident	89.4	Confident	42 Å²	42	40 Å²	40	35%	0.347	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	159.6	166.9	0	0	0	0	0	110.9	L60 D139	A58-L60 PolarHBondContact O-N 2.86Å; A58-D139 HydrophobicContact CB-CB 4.49Å; A58-D139 WeakPolarHBondContact CB-OD1 3.2Å
59	N	82.6	Confident	89	Confident	110 Å²	110	40.1 Å²	40.1	59%	0.588	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	31.7	-176.4	-56.9	-102.1	0	0	0	115.2	N61 D139	N59-N61 VanDerWaalsContact C-N 3.27Å; N59-N61 PolarHBondContact O-N 3.43Å; N59-D139 PolarHBondContact N-OD1 3.34Å
60	L	85.5	Confident	88.7	Confident	8 Å²	8	40.5 Å²	40.5	4%	0.042	21%	0.206	C	C	.	.			trans	-69.2	78.7	172.6	-178.2	61.4	0	0	0	111.9	P25 Y26 P55 A58 R62 I63 V130 V138	P25-L60 HydrophobicContact CB-CD1 4.03Å; P25-L60 HydrophobicContact CG-CD1 3.68Å; Y26-L60 HydrophobicContact CD1-CD1 4.23Å; Y26-L60 HydrophobicContact CD1-CD2 4.14Å; Y26-L60 HydrophobicContact CG-CD2 4.35Å; P55-L60 HydrophobicContact CB-CD2 4.06Å; P55-L60 HydrophobicContact CG-CD2 4.34Å; A58-L60 PolarHBondContact O-N 2.86Å; L60-R62 WeakPolarHBondContact CD1-O 3.32Å; L60-I63 HydrophobicContact CD2-CD1 4.36Å; L60-I63 HydrophobicContact CD2-CG1 4.16Å; L60-I63 HydrophobicContact CG-CG1 4.21Å; L60-V130 VanDerWaalsContact O-CG2 3.27Å; L60-V130 WeakPolarHBondContact O-CG2 3.48Å; L60-V138 HydrophobicContact CB-CG1 3.65Å
61	N	86.5	Confident	88.5	Confident	62 Å²	62	44.8 Å²	44.8	33%	0.332	22%	0.219	S	C	.	.			trans	-81.1	-17.2	-173.6	-67.5	-30.3	0	0	0	114.5	N59 V130	N59-N61 VanDerWaalsContact C-N 3.27Å; N59-N61 PolarHBondContact O-N 3.43Å; N61-V130 PolarHBondContact O-N 2.87Å
62	R	88.3	Confident	88.5	Confident	164 Å²	164	45.8 Å²	45.8	62%	0.619	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-141.3	130.4	-178.9	-60.7	-175.3	-169.3	-179.8	5.1	111.2	L60 I128	L60-R62 WeakPolarHBondContact CD1-O 3.32Å; R62-I128 CarbonylContact C-O 3.6Å; R62-I128 VanDerWaalsContact CA-O 3.32Å; R62-I128 WeakPolarHBondContact CA-O 3.21Å
63	I	90.3	Very high	88.4	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	118.5	175.4	-60.2	175.6	0	0	0	107.1	Y26 V53 L60 L65 I128 V130 L144 I146	Y26-I63 HydrophobicContact CE1-CG2 4.01Å; V53-I63 HydrophobicContact CG1-CD1 4.46Å; L60-I63 HydrophobicContact CD2-CD1 4.36Å; L60-I63 HydrophobicContact CD2-CG1 4.16Å; L60-I63 HydrophobicContact CG-CG1 4.21Å; I63-L65 HydrophobicContact CG2-CD1 4.46Å; I63-I128 PolarHBondContact N-O 3.39Å; I63-I128 PolarHBondContact O-N 3.5Å; I63-V130 HydrophobicContact CD1-CG2 3.9Å; I63-V130 HydrophobicContact CG1-CG2 4.07Å; I63-L144 HydrophobicContact CD1-CD1 4.26Å; I63-I146 HydrophobicContact CB-CD1 4.49Å; I63-I146 HydrophobicContact CD1-CD1 3.76Å; I63-I146 HydrophobicContact CG2-CD1 4.02Å
64	K	91.9	Very high	88.5	Confident	67 Å²	67	54.9 Å²	54.9	29%	0.291	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134.3	177	-53.4	-175.1	-162	151.2	0	109.8	Y26 G122 N123 L126	Y26-K64 PolarHBondContact OH-O 2.66Å; K64-G122 WeakPolarHBondContact CD-O 3.16Å; K64-G122 PolarHBondContact NZ-O 3.09Å; K64-N123 PolarHBondContact NZ-OD1 3.27Å; K64-L126 CarbonylContact C-O 3.56Å; K64-L126 WeakPolarHBondContact CA-O 3.01Å
65	L	92.4	Very high	88.9	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.016	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	161.2	176.1	-76.7	145.2	0	0	0	109.1	L51 I63 G124 E125 L126 I128 I148 V193	L51-L65 HydrophobicContact CD2-CD2 3.71Å; I63-L65 HydrophobicContact CG2-CD1 4.46Å; L65-G124 CarbonylContact O-C 3.3Å; L65-E125 PolarHBondContact O-N 2.86Å; L65-E125 VanDerWaalsContact O-N 3.16Å; L65-L126 HydrophobicContact CB-CB 4.26Å; L65-L126 HydrophobicContact CB-CD2 4.35Å; L65-L126 PolarHBondContact N-O 2.97Å; L65-L126 PolarHBondContact O-N 3.4Å; L65-I128 HydrophobicContact CD1-CD1 3.43Å; L65-I128 VanDerWaalsContact CD1-CD1 3.43Å; L65-I128 HydrophobicContact CD1-CG1 4.33Å; L65-I148 HydrophobicContact CD1-CD1 3.89Å; L65-V193 HydrophobicContact CD2-CG2 3.76Å
66	N	91.6	Very high	89.1	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-102.2	131.8	175.1	-55.7	94.3	0	0	0	110.9	V117 P119 G124 E125 R187 P191 C192 D194	N66-V117 PolarHBondContact ND2-O 3.31Å; N66-P119 WeakPolarHBondContact OD1-CB 3.46Å; N66-G124 WeakPolarHBondContact ND2-CA 3.37Å; N66-E125 WeakPolarHBondContact CA-OE2 3.39Å; N66-E125 VanDerWaalsContact CB-OE2 3.26Å; N66-E125 WeakPolarHBondContact CB-OE2 3.37Å; N66-E125 PolarHBondContact ND2-OE2 2.95Å; N66-R187 HydrophobicContact CB-CB 4Å; N66-R187 PolarHBondContact ND2-NH1 2.87Å; N66-P191 WeakPolarHBondContact O-CA 3.5Å; N66-C192 WeakPolarHBondContact CA-O 3.47Å; N66-C192 WeakPolarHBondContact CB-O 3.33Å; N66-C192 PolarHBondContact N-O 2.94Å; N66-C192 PolarHBondContact O-N 3.44Å; N66-C192 VanDerWaalsContact O-O 3.08Å; N66-D194 HydrophobicContact CB-CB 4Å; N66-D194 PolarHBondContact OD1-N 2.64Å
67	S	90.1	Very high	89.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.228	C	C	.	.			trans	-160.1	140.9	173.6	56.9	0	0	0	0	108.7	Y86 E125 R187	S67-Y86 WeakPolarHBondContact O-CE2 3.46Å; S67-Y86 WeakPolarHBondContact OG-CE2 3.45Å; S67-E125 VanDerWaalsContact O-CB 3.29Å; S67-E125 WeakPolarHBondContact O-CB 3.27Å; S67-E125 WeakPolarHBondContact O-CG 3.45Å; S67-R187 CarbonylContact C-O 3.38Å; S67-R187 WeakPolarHBondContact CA-O 3.14Å
68	K	87.6	Confident	89.6	Confident	14 Å²	14	49.8 Å²	49.8	6%	0.061	22%	0.223	C	C	.	.	S	Bend	trans	-134.3	153.4	169.3	-66.8	-167.6	177.4	-174.6	0	109.2	C70 D88 T90 E125 R187 F188	K68-C70 PolarHBondContact O-N 3.02Å; K68-C70 PolarHBondContact O-SG 2.89Å; K68-D88 WeakPolarHBondContact CD-OD2 3.38Å; K68-D88 WeakPolarHBondContact CG-OD2 3.21Å; K68-D88 IonicContact NZ-OD1 2.75Å; K68-T90 PolarHBondContact NZ-OG1 3.47Å; K68-E125 WeakPolarHBondContact CE-OE1 3.34Å; K68-E125 HydrophobicContact CG-CG 4.31Å; K68-R187 HydrophobicContact CG-CG 4.39Å; K68-R187 PolarHBondContact N-O 3.33Å; K68-F188 HydrophobicContact CB-CD1 3.59Å; K68-F188 HydrophobicContact CB-CE1 3.69Å; K68-F188 HydrophobicContact CB-CG 4.45Å; K68-F188 HydrophobicContact CD-CD1 4.33Å; K68-F188 HydrophobicContact CD-CE1 3.61Å; K68-F188 HydrophobicContact CD-CZ 3.89Å; K68-F188 HydrophobicContact CG-CE1 4.26Å
69	Q	86.9	Confident	90	Very high	51 Å²	51	53.5 Å²	53.5	24%	0.238	24%	0.237	C	C	.	.	S	Bend	trans	51	-6.8	-176.1	67.4	173.7	17.1	0	0	117	R71 L152 G157 F188	Q69-R71 PolarHBondContact O-N 2.83Å; Q69-L152 HydrophobicContact CG-CD2 3.94Å; Q69-G157 PolarHBondContact NE2-O 3.35Å; Q69-F188 HydrophobicContact CG-CD1 4.28Å; Q69-F188 PolarHBondContact NE2-O 2.92Å
70	C	89.4	Confident	90.3	Very high	7 Å²	7	51.1 Å²	51.1	5%	0.047	22%	0.224	C	C	.	.			trans	-73.9	120.1	178.3	-64	0	0	0	0	110.5	K68 I72	K68-C70 PolarHBondContact O-N 3.02Å; K68-C70 PolarHBondContact O-SG 2.89Å; C70-I72 HydrophobicContact CB-CD1 4.22Å; C70-I72 PolarHBondContact O-N 3.02Å
71	R	92.2	Very high	90.6	Very high	153 Å²	153	56 Å²	56	58%	0.577	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83	104.3	169.8	179.2	-177.2	-172.8	172.6	4.2	109.2	Q69 F150 S151	Q69-R71 PolarHBondContact O-N 2.83Å; R71-F150 CarbonylContact O-C 3.55Å; R71-F150 WeakPolarHBondContact O-CA 3.31Å; R71-S151 WeakPolarHBondContact CB-OG 3.32Å; R71-S151 PolarHBondContact N-O 2.83Å; R71-S151 PolarHBondContact O-N 3.02Å; R71-S151 PolarHBondContact O-OG 2.86Å
72	I	93.4	Very high	90.9	Very high	22 Å²	22	53.3 Å²	53.3	11%	0.113	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	126.6	175.2	-48	-54.4	0	0	0	109.4	C70 V75 F84 L126 I148 F150 P191	C70-I72 HydrophobicContact CB-CD1 4.22Å; C70-I72 PolarHBondContact O-N 3.02Å; I72-V75 HydrophobicContact CG2-CG2 3.84Å; I72-F84 HydrophobicContact CB-CE2 4.04Å; I72-F84 HydrophobicContact CB-CZ 3.99Å; I72-F84 HydrophobicContact CG1-CE2 4.48Å; I72-F84 HydrophobicContact CG2-CE1 4.16Å; I72-F84 HydrophobicContact CG2-CE2 4.18Å; I72-F84 HydrophobicContact CG2-CZ 3.88Å; I72-L126 HydrophobicContact CD1-CD2 4.4Å; I72-L126 HydrophobicContact CG1-CD1 4.45Å; I72-L126 HydrophobicContact CG1-CD2 4.5Å; I72-I148 HydrophobicContact CD1-CG2 4.13Å; I72-I148 HydrophobicContact CG2-CG2 3.95Å; I72-F150 HydrophobicContact CD1-CB 4.12Å; I72-P191 HydrophobicContact CD1-CB 4.49Å; I72-P191 HydrophobicContact CD1-CG 3.53Å
73	Y	91.3	Very high	91.1	Very high	116 Å²	116	48.6 Å²	48.6	46%	0.455	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-46.7	173.8	-73.7	-62.1	0	0	0	112.4	N149 S151	Y73-N149 PolarHBondContact N-O 3.4Å; Y73-S151 WeakPolarHBondContact CE2-OG 3.44Å; Y73-S151 PolarHBondContact OH-OG 3.25Å
74	R	92.8	Very high	91.2	Very high	102 Å²	102	52.1 Å²	52.1	39%	0.385	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	142.8	-173.1	-153.6	178.3	-176.4	-158.4	-1	111.2	E81 N149	R74-E81 WeakPolarHBondContact CG-OE1 3.39Å; R74-E81 IonicContact CZ-OE2 2.76Å; R74-E81 VanDerWaalsContact CZ-OE2 3.22Å; R74-E81 IonicContact NE-OE1 2.97Å; R74-E81 PolarHBondContact NE-OE1 3.23Å; R74-E81 IonicContact NE-OE2 2.67Å; R74-E81 PolarHBondContact NE-OE2 3.22Å; R74-E81 IonicContact NH2-OE2 3.22Å; R74-E81 PolarHBondContact NH2-OE2 3.32Å; R74-N149 PolarHBondContact O-N 3.48Å
75	V	95.6	Very high	91.2	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.2	173.1	-179.4	0	0	0	0	108.5	I72 A82 F84 I128 I146 I148	I72-V75 HydrophobicContact CG2-CG2 3.84Å; V75-A82 HydrophobicContact CG1-CB 4.12Å; V75-A82 PolarHBondContact O-N 3.15Å; V75-F84 HydrophobicContact CB-CD1 4.21Å; V75-F84 HydrophobicContact CG2-CB 4.24Å; V75-F84 HydrophobicContact CG2-CD1 3.6Å; V75-F84 HydrophobicContact CG2-CE1 4.16Å; V75-F84 HydrophobicContact CG2-CG 4.02Å; V75-I128 HydrophobicContact CG1-CD1 3.7Å; V75-I128 HydrophobicContact CG1-CG1 4.1Å; V75-I128 HydrophobicContact CG1-CG2 3.84Å; V75-I146 HydrophobicContact CG1-CG2 4.18Å; V75-I148 HydrophobicContact CG1-CG1 4.46Å; V75-I148 HydrophobicContact CG2-CG1 4.5Å; V75-I148 HydrophobicContact CG2-CG2 4.32Å
76	R	93.8	Very high	91.2	Very high	58 Å²	58	55.9 Å²	55.9	22%	0.219	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	143.9	173.6	-69.2	165.5	71.1	75.9	-12.2	109.9	D79 L80 I146 H147	R76-D79 IonicContact CZ-OD1 3.03Å; R76-D79 IonicContact NE-OD1 3.66Å; R76-D79 PolarHBondContact NE-OD1 2.69Å; R76-D79 PolarHBondContact NH1-O 2.69Å; R76-D79 VanDerWaalsContact NH2-CB 3.33Å; R76-D79 PolarHBondContact NH2-O 3.48Å; R76-D79 VanDerWaalsContact NH2-O 3.09Å; R76-D79 IonicContact NH2-OD1 2.65Å; R76-D79 PolarHBondContact NH2-OD1 3.13Å; R76-L80 CarbonylContact C-O 3.59Å; R76-L80 WeakPolarHBondContact CA-O 3.46Å; R76-I146 CarbonylContact O-C 3.46Å; R76-I146 WeakPolarHBondContact O-CA 3.32Å; R76-H147 HydrophobicContact CB-CB 4.44Å; R76-H147 PolarHBondContact N-O 2.82Å; R76-H147 PolarHBondContact O-N 3.27Å
77	I	93.3	Very high	90.9	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	118.6	168.6	-51.6	-179.3	0	0	0	107.2	D79 L80 A82 I128 V130 L134 L144 K145 I146	I77-D79 PolarHBondContact O-N 3.46Å; I77-L80 PolarHBondContact N-O 3.15Å; I77-L80 PolarHBondContact O-N 3.38Å; I77-A82 HydrophobicContact CD1-CB 3.89Å; I77-A82 HydrophobicContact CG1-CB 3.87Å; I77-I128 HydrophobicContact CD1-CG2 3.95Å; I77-V130 HydrophobicContact CD1-CG2 4.45Å; I77-L134 HydrophobicContact CB-CD1 3.93Å; I77-L134 HydrophobicContact CG2-CD1 3.6Å; I77-L144 HydrophobicContact CG2-CB 4.16Å; I77-L144 HydrophobicContact CG2-CD1 4.34Å; I77-L144 HydrophobicContact CG2-CD2 4.32Å; I77-K145 WeakPolarHBondContact CA-O 3.27Å; I77-I146 HydrophobicContact CG1-CG1 4.21Å; I77-I146 HydrophobicContact CG1-CG2 4.33Å
78	N	88.2	Confident	90.6	Very high	62 Å²	62	61.9 Å²	61.9	33%	0.332	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.7	51.2	-175.3	-61	-4.3	0	0	0	111.9	L80 L134 K145	N78-L80 PolarHBondContact O-N 3.5Å; N78-L134 HydrophobicContact CB-CD1 4.42Å; N78-L134 HydrophobicContact CB-CD2 4.5Å; N78-K145 PolarHBondContact N-O 3.03Å; N78-K145 PolarHBondContact OD1-N 2.89Å; N78-K145 PolarHBondContact OD1-O 3.23Å
79	D	86	Confident	90.3	Very high	120 Å²	120	63.7 Å²	63.7	64%	0.642	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	-5.7	-176.8	-70.8	-62.3	0	0	0	118.7	R76 I77	R76-D79 IonicContact CZ-OD1 3.03Å; R76-D79 IonicContact NE-OD1 3.66Å; R76-D79 PolarHBondContact NE-OD1 2.69Å; R76-D79 PolarHBondContact NH1-O 2.69Å; R76-D79 VanDerWaalsContact NH2-CB 3.33Å; R76-D79 PolarHBondContact NH2-O 3.48Å; R76-D79 VanDerWaalsContact NH2-O 3.09Å; R76-D79 IonicContact NH2-OD1 2.65Å; R76-D79 PolarHBondContact NH2-OD1 3.13Å; I77-D79 PolarHBondContact O-N 3.46Å
80	L	89.8	Confident	89.8	Confident	60 Å²	60	61.4 Å²	61.4	31%	0.314	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	145.7	167.4	-61	176.6	0	0	0	110.9	R76 I77 N78 P131 E133 L134	R76-L80 CarbonylContact C-O 3.59Å; R76-L80 WeakPolarHBondContact CA-O 3.46Å; I77-L80 PolarHBondContact N-O 3.15Å; I77-L80 PolarHBondContact O-N 3.38Å; N78-L80 PolarHBondContact O-N 3.5Å; L80-P131 HydrophobicContact CB-CG 4.45Å; L80-E133 HydrophobicContact CD1-CB 4.17Å; L80-E133 WeakPolarHBondContact CD1-OE2 3.29Å; L80-L134 HydrophobicContact CD1-CD1 4.32Å; L80-L134 HydrophobicContact CD1-CD2 4.29Å; L80-L134 HydrophobicContact CD1-CG 4.04Å
81	E	91.7	Very high	89.2	Confident	112 Å²	112	64.7 Å²	64.7	52%	0.523	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	131.2	177.8	-177.1	147.1	-152.3	0	0	111.3	R74	R74-E81 WeakPolarHBondContact CG-OE1 3.39Å; R74-E81 IonicContact CZ-OE2 2.76Å; R74-E81 VanDerWaalsContact CZ-OE2 3.22Å; R74-E81 IonicContact NE-OE1 2.97Å; R74-E81 PolarHBondContact NE-OE1 3.23Å; R74-E81 IonicContact NE-OE2 2.67Å; R74-E81 PolarHBondContact NE-OE2 3.22Å; R74-E81 IonicContact NH2-OE2 3.22Å; R74-E81 PolarHBondContact NH2-OE2 3.32Å
82	A	91.5	Very high	88.4	Confident	5 Å²	5	62.7 Å²	62.7	4%	0.041	31%	0.31	C	S	.	.			trans	-114.6	129.2	-171.7	0	0	0	0	0	112	V75 I77 F84 I128 P131	V75-A82 HydrophobicContact CG1-CB 4.12Å; V75-A82 PolarHBondContact O-N 3.15Å; I77-A82 HydrophobicContact CD1-CB 3.89Å; I77-A82 HydrophobicContact CG1-CB 3.87Å; A82-F84 PolarHBondContact O-N 2.79Å; A82-I128 HydrophobicContact CB-CG2 3.85Å; A82-P131 HydrophobicContact CB-CG 4.29Å
83	A	92.8	Very high	87.3	Confident	64 Å²	64	62.7 Å²	62.7	53%	0.529	31%	0.311	S	S	.	.			trans	-68.7	124	176.5	0	0	0	0	0	110.9	K129	A83-K129 HydrophobicContact CB-CD 4.39Å; A83-K129 WeakPolarHBondContact O-CB 3.39Å; A83-K129 PolarHBondContact O-N 2.92Å
84	F	93.3	Very high	86.2	Confident	77 Å²	77	57.4 Å²	57.4	34%	0.338	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	159	177.1	69.1	-87	0	0	0	112	I72 V75 A82 L126 C127 I128	I72-F84 HydrophobicContact CB-CE2 4.04Å; I72-F84 HydrophobicContact CB-CZ 3.99Å; I72-F84 HydrophobicContact CG1-CE2 4.48Å; I72-F84 HydrophobicContact CG2-CE1 4.16Å; I72-F84 HydrophobicContact CG2-CE2 4.18Å; I72-F84 HydrophobicContact CG2-CZ 3.88Å; V75-F84 HydrophobicContact CB-CD1 4.21Å; V75-F84 HydrophobicContact CG2-CB 4.24Å; V75-F84 HydrophobicContact CG2-CD1 3.6Å; V75-F84 HydrophobicContact CG2-CE1 4.16Å; V75-F84 HydrophobicContact CG2-CG 4.02Å; A82-F84 PolarHBondContact O-N 2.79Å; F84-L126 HydrophobicContact CB-CD1 4.1Å; F84-L126 HydrophobicContact CD2-CD1 3.63Å; F84-L126 HydrophobicContact CE2-CD1 4.45Å; F84-L126 HydrophobicContact CG-CD1 4.2Å; F84-C127 CarbonylContact C-O 3.56Å; F84-C127 WeakPolarHBondContact CA-O 3.25Å; F84-I128 HydrophobicContact CB-CG1 4.29Å
85	I	91.8	Very high	84.7	Confident	69 Å²	69	59.8 Å²	59.8	35%	0.354	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.8	171.4	-59.2	173.2	0	0	0	106.5	L126 C127	I85-L126 CarbonylContact O-C 3.55Å; I85-C127 HydrophobicContact CB-CB 4.35Å; I85-C127 PolarHBondContact N-O 3.03Å; I85-C127 PolarHBondContact O-N 3.29Å
86	Y	91.3	Very high	82.7	Confident	79 Å²	79	64.7 Å²	64.7	31%	0.31	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	116.9	178	173.1	-91.1	0	0	0	109.4	S67 D88 E125 L126	S67-Y86 WeakPolarHBondContact O-CE2 3.46Å; S67-Y86 WeakPolarHBondContact OG-CE2 3.45Å; Y86-D88 HydrophobicContact CE1-CB 4.49Å; Y86-E125 HydrophobicContact CE2-CB 4.49Å; Y86-L126 HydrophobicContact CD2-CD1 4.38Å
87	N	85.6	Confident	81.1	Confident	107 Å²	107	65.8 Å²	65.8	57%	0.572	35%	0.348	S	S	*	.			trans	-131.8	118.9	-179.8	-66.8	-14.2	0	0	0	109.3	P89 E125	N87-P89 VanDerWaalsContact O-CD 3.31Å; N87-P89 WeakPolarHBondContact O-CD 3.33Å; N87-E125 PolarHBondContact N-O 3.24Å; N87-E125 WeakPolarHBondContact O-CA 3.41Å
88	D	83.5	Confident	79.4	Confident	20 Å²	20	69.2 Å²	69.2	11%	0.107	37%	0.372	C	S	.	.			trans	-109.3	92.9	169.3	-172	-13.4	0	0	0	110.5	K68 Y86 T90 L91	K68-D88 WeakPolarHBondContact CD-OD2 3.38Å; K68-D88 WeakPolarHBondContact CG-OD2 3.21Å; K68-D88 IonicContact NZ-OD1 2.75Å; Y86-D88 HydrophobicContact CE1-CB 4.49Å; D88-T90 PolarHBondContact O-N 3.37Å; D88-T90 VanDerWaalsContact O-N 3.15Å; D88-T90 WeakPolarHBondContact OD1-CA 3.46Å; D88-T90 WeakPolarHBondContact OD1-CB 3.32Å; D88-T90 PolarHBondContact OD1-N 3.24Å; D88-T90 PolarHBondContact OD1-OG1 2.85Å; D88-L91 HydrophobicContact CB-CD1 3.97Å; D88-L91 HydrophobicContact CB-CG 3.99Å; D88-L91 PolarHBondContact O-N 3.07Å
89	P	81.4	Confident	78.3	Confident	53 Å²	53	72 Å²	72	34%	0.344	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	2.6	178.4	32.9	-37.6	0	0	0	113.4	N87 A113 V117	N87-P89 VanDerWaalsContact O-CD 3.31Å; N87-P89 WeakPolarHBondContact O-CD 3.33Å; P89-A113 HydrophobicContact CB-CB 4.46Å; P89-V117 HydrophobicContact CG-CG2 3.41Å; P89-V117 VanDerWaalsContact CG-CG2 3.41Å
90	T	77.4	Confident	77.5	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.018	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-8.9	178.9	74.7	0	0	0	0	113.6	K68 D88 R968	K68-T90 PolarHBondContact NZ-OG1 3.47Å; D88-T90 PolarHBondContact O-N 3.37Å; D88-T90 VanDerWaalsContact O-N 3.15Å; D88-T90 WeakPolarHBondContact OD1-CA 3.46Å; D88-T90 WeakPolarHBondContact OD1-CB 3.32Å; D88-T90 PolarHBondContact OD1-N 3.24Å; D88-T90 PolarHBondContact OD1-OG1 2.85Å; T90-R968 PolarHBondContact O-NH1 2.9Å
91	L	77.4	Confident	76.8	Confident	76 Å²	76	68.8 Å²	68.8	40%	0.398	36%	0.359	S	S	.	.	S	Bend	trans	-66.5	-41.7	175.5	-67.9	173.8	0	0	0	112.4	D88 S959	D88-L91 HydrophobicContact CB-CD1 3.97Å; D88-L91 HydrophobicContact CB-CG 3.99Å; D88-L91 PolarHBondContact O-N 3.07Å; L91-S959 WeakPolarHBondContact O-CA 3.25Å
92	E	73.8	Confident	76.2	Confident	111 Å²	111	65.8 Å²	65.8	52%	0.519	35%	0.347	S	S	.	.			trans	-142	96.9	178.4	-70	-169.4	-162.8	0	0	110.5	H95	E92-H95 HydrophobicContact CB-CB 4.46Å; E92-H95 IonicContact OE2-CD2 3.8Å; E92-H95 PolarHBondContact OE2-CD2 2.87Å; E92-H95 VanDerWaalsContact OE2-CD2 3.31Å; E92-H95 IonicContact OE2-CG 2.87Å
93	V	72	Confident	75.6	Confident	22 Å²	22	65.5 Å²	65.5	13%	0.133	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-31.2	-172.3	174.8	0	0	0	0	112.7	F106 A109 Y110	V93-F106 HydrophobicContact CB-CE2 4.27Å; V93-F106 HydrophobicContact CG1-CE2 4.45Å; V93-A109 HydrophobicContact CG1-CB 3.62Å; V93-Y110 HydrophobicContact CG2-CD2 3.85Å
94	C	67.3	Low	75	Confident	5 Å²	5	66.1 Å²	66.1	3%	0.034	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	34.3	-171.6	-59.4	0	0	0	0	114.1	S96 E97 Y105 W954 N958	C94-S96 VanDerWaalsContact C-N 3.28Å; C94-S96 PolarHBondContact O-N 2.97Å; C94-E97 PolarHBondContact O-N 3.38Å; C94-Y105 HydrophobicContact CB-CE1 4.36Å; C94-W954 HydrophobicContact CB-CZ2 4.16Å; C94-N958 PolarHBondContact N-OD1 2.82Å
95	H	60.8	Low	74.4	Confident	152 Å²	152	65.1 Å²	65.1	70%	0.704	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-32.3	-176.9	-175	-46.7	0	0	0	113.7	E92	E92-H95 HydrophobicContact CB-CB 4.46Å; E92-H95 IonicContact OE2-CD2 3.8Å; E92-H95 PolarHBondContact OE2-CD2 2.87Å; E92-H95 VanDerWaalsContact OE2-CD2 3.31Å; E92-H95 IonicContact OE2-CG 2.87Å
96	S	54.1	Low	74.1	Confident	103 Å²	103	62 Å²	62	72%	0.72	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-26.3	-175	50.4	0	0	0	0	115.1	C94	C94-S96 VanDerWaalsContact C-N 3.28Å; C94-S96 PolarHBondContact O-N 2.97Å
97	E	59.6	Low	73.6	Confident	81 Å²	81	59 Å²	59	38%	0.379	31%	0.308	S	S	.	.			trans	-138.2	47	-168.3	-60.5	-165.2	92.4	0	0	112.8	C94 K99 Q100 Y105	C94-E97 PolarHBondContact O-N 3.38Å; E97-K99 PolarHBondContact O-N 2.82Å; E97-Q100 HydrophobicContact CB-CG 4.28Å; E97-Q100 VanDerWaalsContact CD-NE2 3.33Å; E97-Q100 PolarHBondContact O-N 3.36Å; E97-Q100 PolarHBondContact OE1-NE2 3.34Å; E97-Y105 WeakPolarHBondContact OE2-CE2 3.31Å; E97-Y105 PolarHBondContact OE2-OH 3.1Å
98	S	59.1	Low	73.4	Confident	72 Å²	72	59.2 Å²	59.2	50%	0.503	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-12.3	-176.4	61.6	0	0	0	0	116.3	R101	S98-R101 WeakPolarHBondContact O-CG 3.08Å; S98-R101 PolarHBondContact O-NE 2.84Å
99	K	64.4	Low	73.3	Confident	122 Å²	122	59.5 Å²	59.5	53%	0.53	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-17.1	170	-68.1	-169.4	174.5	-173.6	0	113.6	E97 R101 R983 E991	E97-K99 PolarHBondContact O-N 2.82Å; K99-R101 PolarHBondContact O-N 2.87Å; K99-R983 PolarHBondContact O-NH1 3.09Å; K99-E991 IonicContact NZ-OE2 3.69Å; K99-E991 PolarHBondContact NZ-OE2 3.27Å
100	Q	68.4	Low	73.5	Confident	72 Å²	72	57.7 Å²	57.7	34%	0.336	30%	0.301	S	S	.	.			trans	-91.7	62.7	178.8	-63.4	-152.5	48	0	0	112.4	E97 N102 Y105	E97-Q100 HydrophobicContact CB-CG 4.28Å; E97-Q100 VanDerWaalsContact CD-NE2 3.33Å; E97-Q100 PolarHBondContact O-N 3.36Å; E97-Q100 PolarHBondContact OE1-NE2 3.34Å; Q100-N102 PolarHBondContact O-N 2.97Å; Q100-Y105 HydrophobicContact CB-CD2 4.45Å; Q100-Y105 HydrophobicContact CB-CG 4.45Å
101	R	74.8	Confident	73.7	Confident	39 Å²	39	58.2 Å²	58.2	15%	0.147	31%	0.305	C	S	.	.			trans	-77.1	50.9	-179.2	-55.9	-169.9	-167.8	166.7	-4.5	114	S98 K99 D951 W954 Y975 L987	S98-R101 WeakPolarHBondContact O-CG 3.08Å; S98-R101 PolarHBondContact O-NE 2.84Å; K99-R101 PolarHBondContact O-N 2.87Å; R101-D951 IonicContact CZ-OD1 3.9Å; R101-D951 IonicContact NH1-OD1 3.23Å; R101-D951 PolarHBondContact NH1-OD1 3.34Å; R101-D951 IonicContact NH2-OD1 3.48Å; R101-D951 PolarHBondContact NH2-OD1 3Å; R101-D951 IonicContact NH2-OD2 3.86Å; R101-W954 HydrophobicContact CB-CD2 4.18Å; R101-W954 HydrophobicContact CB-CE3 4.06Å; R101-W954 HydrophobicContact CB-CH2 4.31Å; R101-W954 HydrophobicContact CB-CZ2 4.43Å; R101-W954 HydrophobicContact CB-CZ3 4.13Å; R101-W954 HydrophobicContact CG-CD2 3.97Å; R101-W954 HydrophobicContact CG-CE3 4.37Å; R101-W954 HydrophobicContact CG-CG 4.28Å; R101-W954 HydrophobicContact CG-CZ2 4.3Å; R101-Y975 PolarHBondContact O-OH 3.35Å; R101-L987 HydrophobicContact CB-CD1 3.8Å; R101-L987 HydrophobicContact CG-CD1 4.19Å
102	N	79.4	Confident	74	Confident	49 Å²	49	57.4 Å²	57.4	26%	0.262	31%	0.31	S	S	.	.			trans	-102.4	130.5	-179.5	-61.7	-7.8	0	0	0	109	Q100 N104 Y105 F106 R983	Q100-N102 PolarHBondContact O-N 2.97Å; N102-N104 VanDerWaalsContact C-N 3.28Å; N102-N104 PolarHBondContact O-N 3.49Å; N102-Y105 WeakPolarHBondContact O-CB 3.31Å; N102-Y105 PolarHBondContact O-N 3.5Å; N102-F106 PolarHBondContact O-N 2.79Å; N102-F106 VanDerWaalsContact O-N 3.1Å; N102-R983 WeakPolarHBondContact OD1-CB 3.39Å
103	L	80.2	Confident	74.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.3	-40.4	-179.1	175.2	52.1	0	0	0	112.1	Y105 F106 S107 H432 M957 V972 Y975 F976 L981	L103-Y105 VanDerWaalsContact C-N 3.27Å; L103-Y105 PolarHBondContact O-N 3.31Å; L103-F106 PolarHBondContact O-N 3.06Å; L103-S107 PolarHBondContact O-N 2.93Å; L103-S107 PolarHBondContact O-OG 3.45Å; L103-H432 HydrophobicContact CD2-CB 3.9Å; L103-H432 HydrophobicContact CG-CB 4.24Å; L103-M957 HydrophobicContact CD1-CE 4.4Å; L103-V972 HydrophobicContact CD1-CG1 3.51Å; L103-Y975 HydrophobicContact CB-CD1 4.17Å; L103-Y975 HydrophobicContact CB-CE1 4.27Å; L103-Y975 HydrophobicContact CD2-CD1 4.48Å; L103-F976 HydrophobicContact CD2-CB 3.73Å; L103-F976 HydrophobicContact CD2-CD2 3.86Å; L103-F976 HydrophobicContact CD2-CG 4.3Å; L103-L981 HydrophobicContact CD2-CD2 4.09Å; L103-L981 HydrophobicContact CG-CD2 4.4Å
104	N	79.8	Confident	75.1	Confident	76 Å²	76	52 Å²	52	41%	0.406	29%	0.285	S	S	.	.	H	α-helix	trans	-61.6	-28.2	174.3	-75.4	-20	0	0	0	114.3	N102 N108	N102-N104 VanDerWaalsContact C-N 3.28Å; N102-N104 PolarHBondContact O-N 3.49Å; N104-N108 PolarHBondContact O-ND2 2.88Å
105	Y	81.2	Confident	75.8	Confident	57 Å²	57	54 Å²	54	22%	0.224	30%	0.299	C	S	.	.	H	α-helix	trans	-75.7	-49.1	174	-179.2	-83.9	0	0	0	109.7	C94 E97 Q100 N102 L103 S107 N108 A109	C94-Y105 HydrophobicContact CB-CE1 4.36Å; E97-Y105 WeakPolarHBondContact OE2-CE2 3.31Å; E97-Y105 PolarHBondContact OE2-OH 3.1Å; Q100-Y105 HydrophobicContact CB-CD2 4.45Å; Q100-Y105 HydrophobicContact CB-CG 4.45Å; N102-Y105 WeakPolarHBondContact O-CB 3.31Å; N102-Y105 PolarHBondContact O-N 3.5Å; L103-Y105 VanDerWaalsContact C-N 3.27Å; L103-Y105 PolarHBondContact O-N 3.31Å; Y105-S107 PolarHBondContact O-N 3.21Å; Y105-N108 PolarHBondContact O-N 2.64Å; Y105-A109 HydrophobicContact CE1-CB 4.41Å; Y105-A109 VanDerWaalsContact O-CB 3.31Å; Y105-A109 WeakPolarHBondContact O-CB 3.49Å; Y105-A109 PolarHBondContact O-N 3.05Å
106	F	83.7	Confident	76.9	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.009	29%	0.289	C	S	.	.	H	α-helix	trans	-58.1	-46.5	179.4	180	-94.6	0	0	0	112.8	V93 N102 L103 N108 A109 Y110 W954 M957 V972	V93-F106 HydrophobicContact CB-CE2 4.27Å; V93-F106 HydrophobicContact CG1-CE2 4.45Å; N102-F106 PolarHBondContact O-N 2.79Å; N102-F106 VanDerWaalsContact O-N 3.1Å; L103-F106 PolarHBondContact O-N 3.06Å; F106-N108 PolarHBondContact O-N 3.41Å; F106-A109 PolarHBondContact O-N 3.09Å; F106-Y110 HydrophobicContact CE1-CD1 4.45Å; F106-Y110 HydrophobicContact CE1-CG 4.49Å; F106-Y110 HydrophobicContact CZ-CG 4.48Å; F106-Y110 WeakPolarHBondContact O-CB 3.5Å; F106-Y110 PolarHBondContact O-N 2.86Å; F106-W954 HydrophobicContact CB-CH2 3.76Å; F106-W954 HydrophobicContact CB-CZ3 4.05Å; F106-W954 HydrophobicContact CD2-CH2 4.29Å; F106-W954 HydrophobicContact CG-CH2 4.4Å; F106-M957 HydrophobicContact CD1-CE 3.89Å; F106-M957 HydrophobicContact CE1-CE 4.19Å; F106-M957 HydrophobicContact CE2-CB 4.33Å; F106-M957 HydrophobicContact CG-CE 4.18Å; F106-M957 HydrophobicContact CZ-CB 4.14Å; F106-M957 VanDerWaalsContact CZ-O 3.26Å; F106-M957 WeakPolarHBondContact CZ-O 3.34Å; F106-V972 HydrophobicContact CD1-CG2 4.25Å; F106-V972 HydrophobicContact CE1-CG2 3.65Å
107	S	81.2	Confident	78.3	Confident	17 Å²	17	44.9 Å²	44.9	12%	0.119	26%	0.256	C	S	.	.	H	α-helix	trans	-66.2	-39.2	-177.2	63.1	0	0	0	0	112.7	L103 Y105 A111 H432	L103-S107 PolarHBondContact O-N 2.93Å; L103-S107 PolarHBondContact O-OG 3.45Å; Y105-S107 PolarHBondContact O-N 3.21Å; S107-A111 VanDerWaalsContact O-CB 3.23Å; S107-A111 WeakPolarHBondContact O-CB 3.48Å; S107-A111 PolarHBondContact O-N 3.13Å; S107-H432 WeakPolarHBondContact CB-O 3.46Å; S107-H432 PolarHBondContact OG-O 3.44Å
108	N	81	Confident	79.4	Confident	112 Å²	112	42.3 Å²	42.3	60%	0.599	25%	0.245	S	C	*	.	H	α-helix	trans	-69.3	-44.6	174.4	-79.2	-71.1	0	0	0	112.2	N104 Y105 F106 A111 A112	N104-N108 PolarHBondContact O-ND2 2.88Å; Y105-N108 PolarHBondContact O-N 2.64Å; F106-N108 PolarHBondContact O-N 3.41Å; N108-A111 PolarHBondContact O-N 3.27Å; N108-A112 WeakPolarHBondContact O-CB 3.35Å; N108-A112 PolarHBondContact O-N 3.42Å
109	A	82.3	Confident	80.3	Confident	26 Å²	26	39 Å²	39	22%	0.215	22%	0.221	C	C	.	.	H	α-helix	trans	-63.6	-41.9	176.8	0	0	0	0	0	111.8	V93 Y105 F106 A112 A113	V93-A109 HydrophobicContact CG1-CB 3.62Å; Y105-A109 HydrophobicContact CE1-CB 4.41Å; Y105-A109 VanDerWaalsContact O-CB 3.31Å; Y105-A109 WeakPolarHBondContact O-CB 3.49Å; Y105-A109 PolarHBondContact O-N 3.05Å; F106-A109 PolarHBondContact O-N 3.09Å; A109-A112 PolarHBondContact O-N 2.9Å; A109-A113 WeakPolarHBondContact O-CB 3.5Å; A109-A113 PolarHBondContact O-N 2.91Å
110	Y	84.6	Confident	81	Confident	15 Å²	15	34.7 Å²	34.7	6%	0.059	21%	0.205	C	C	.	.	H	α-helix	trans	-67.8	-43.3	177.2	-178.2	-133.1	0	0	0	111.6	V93 F106 A112 A113 V114 H439 T440	V93-Y110 HydrophobicContact CG2-CD2 3.85Å; F106-Y110 HydrophobicContact CE1-CD1 4.45Å; F106-Y110 HydrophobicContact CE1-CG 4.49Å; F106-Y110 HydrophobicContact CZ-CG 4.48Å; F106-Y110 WeakPolarHBondContact O-CB 3.5Å; F106-Y110 PolarHBondContact O-N 2.86Å; Y110-A112 VanDerWaalsContact C-N 3.31Å; Y110-A112 PolarHBondContact O-N 3.2Å; Y110-A113 PolarHBondContact O-N 3.17Å; Y110-V114 HydrophobicContact CD2-CG2 3.91Å; Y110-V114 HydrophobicContact CE1-CG2 4.4Å; Y110-V114 HydrophobicContact CE2-CG2 3.48Å; Y110-V114 VanDerWaalsContact CE2-CG2 3.48Å; Y110-V114 WeakPolarHBondContact O-CG2 3.41Å; Y110-V114 PolarHBondContact O-N 3.2Å; Y110-H439 PolarHBondContact OH-O 3.34Å; Y110-T440 HydrophobicContact CD1-CG2 3.76Å; Y110-T440 HydrophobicContact CE1-CG2 3.66Å
111	A	82.7	Confident	81.5	Confident	13 Å²	13	34 Å²	34	11%	0.107	21%	0.211	C	C	.	.	H	α-helix	trans	-59.7	-41.3	174	0	0	0	0	0	111.9	S107 N108 V114 S115	S107-A111 VanDerWaalsContact O-CB 3.23Å; S107-A111 WeakPolarHBondContact O-CB 3.48Å; S107-A111 PolarHBondContact O-N 3.13Å; N108-A111 PolarHBondContact O-N 3.27Å; A111-V114 PolarHBondContact O-N 2.97Å; A111-S115 PolarHBondContact O-N 3.23Å; A111-S115 PolarHBondContact O-OG 3.05Å
112	A	83.2	Confident	81.6	Confident	60 Å²	60	32.9 Å²	32.9	50%	0.496	21%	0.211	S	C	.	.	H	α-helix	trans	-65.9	-42.6	175.1	0	0	0	0	0	112.6	N108 A109 Y110 V114 S115 A116	N108-A112 WeakPolarHBondContact O-CB 3.35Å; N108-A112 PolarHBondContact O-N 3.42Å; A109-A112 PolarHBondContact O-N 2.9Å; Y110-A112 VanDerWaalsContact C-N 3.31Å; Y110-A112 PolarHBondContact O-N 3.2Å; A112-V114 VanDerWaalsContact C-N 3.34Å; A112-V114 PolarHBondContact O-N 2.93Å; A112-S115 PolarHBondContact O-N 3.09Å; A112-A116 WeakPolarHBondContact O-CB 3.2Å; A112-A116 PolarHBondContact O-N 2.99Å
113	A	83.8	Confident	81.9	Confident	14 Å²	14	32.6 Å²	32.6	12%	0.116	21%	0.21	C	C	.	.	H	α-helix	trans	-63.9	-37.2	175.7	0	0	0	0	0	112.4	P89 A109 Y110 V117	P89-A113 HydrophobicContact CB-CB 4.46Å; A109-A113 WeakPolarHBondContact O-CB 3.5Å; A109-A113 PolarHBondContact O-N 2.91Å; Y110-A113 PolarHBondContact O-N 3.17Å; A113-V117 WeakPolarHBondContact O-CG2 3.23Å
114	V	84.6	Confident	82.1	Confident	5 Å²	5	33.1 Å²	33.1	3%	0.03	22%	0.215	C	C	.	.	H	α-helix	trans	-69	-45.8	173.2	174.7	0	0	0	0	110.8	Y110 A111 A112 A116 V117 D118 H437	Y110-V114 HydrophobicContact CD2-CG2 3.91Å; Y110-V114 HydrophobicContact CE1-CG2 4.4Å; Y110-V114 HydrophobicContact CE2-CG2 3.48Å; Y110-V114 VanDerWaalsContact CE2-CG2 3.48Å; Y110-V114 WeakPolarHBondContact O-CG2 3.41Å; Y110-V114 PolarHBondContact O-N 3.2Å; A111-V114 PolarHBondContact O-N 2.97Å; A112-V114 VanDerWaalsContact C-N 3.34Å; A112-V114 PolarHBondContact O-N 2.93Å; V114-A116 VanDerWaalsContact C-N 3.28Å; V114-A116 PolarHBondContact O-N 3.34Å; V114-V117 CarbonylContact O-C 3.55Å; V114-V117 WeakPolarHBondContact O-CA 3.49Å; V114-V117 PolarHBondContact O-N 3.01Å; V114-D118 WeakPolarHBondContact O-CB 3.39Å; V114-D118 PolarHBondContact O-N 3.28Å; V114-H437 HydrophobicContact CG1-CB 3.9Å
115	S	83.3	Confident	82.5	Confident	46 Å²	46	29.7 Å²	29.7	32%	0.322	20%	0.197	S	C	.	.	H	α-helix	trans	-62.4	-31.4	175.3	-66	0	0	0	0	113.7	A111 A112 V117 D118 N123 H437	A111-S115 PolarHBondContact O-N 3.23Å; A111-S115 PolarHBondContact O-OG 3.05Å; A112-S115 PolarHBondContact O-N 3.09Å; S115-V117 PolarHBondContact O-N 2.94Å; S115-D118 PolarHBondContact O-N 3.22Å; S115-N123 PolarHBondContact O-ND2 3.2Å; S115-H437 PolarHBondContact OG-CE1 3.31Å; S115-H437 PolarHBondContact OG-NE2 3.47Å
116	A	83.8	Confident	83	Confident	58 Å²	58	27 Å²	27	48%	0.479	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-12.9	173.6	0	0	0	0	0	113.5	A112 V114 N123	A112-A116 WeakPolarHBondContact O-CB 3.2Å; A112-A116 PolarHBondContact O-N 2.99Å; V114-A116 VanDerWaalsContact C-N 3.28Å; V114-A116 PolarHBondContact O-N 3.34Å; A116-N123 WeakPolarHBondContact O-CB 3.35Å
117	V	83.4	Confident	83.4	Confident	7 Å²	7	28.4 Å²	28.4	4%	0.042	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-17.2	-179.9	166.5	0	0	0	0	112.2	N66 P89 A113 V114 S115 P119 N123 G124 E125	N66-V117 PolarHBondContact ND2-O 3.31Å; P89-V117 HydrophobicContact CG-CG2 3.41Å; P89-V117 VanDerWaalsContact CG-CG2 3.41Å; A113-V117 WeakPolarHBondContact O-CG2 3.23Å; V114-V117 CarbonylContact O-C 3.55Å; V114-V117 WeakPolarHBondContact O-CA 3.49Å; V114-V117 PolarHBondContact O-N 3.01Å; S115-V117 PolarHBondContact O-N 2.94Å; V117-P119 WeakPolarHBondContact O-CD 3.48Å; V117-N123 CarbonylContact O-C 3.48Å; V117-G124 PolarHBondContact O-N 2.72Å; V117-E125 HydrophobicContact CG1-CG 3.76Å; V117-E125 WeakPolarHBondContact CG1-OE1 3.46Å; V117-E125 WeakPolarHBondContact CG1-OE2 3.27Å; V117-E125 HydrophobicContact CG2-CG 4.23Å
118	D	82.6	Confident	84	Confident	27 Å²	27	27.6 Å²	27.6	14%	0.144	19%	0.19	C	C	.	.			trans	-57.8	118.3	-170.7	174	39.9	0	0	0	112.6	V114 S115 D120 A121 G122 N123	V114-D118 WeakPolarHBondContact O-CB 3.39Å; V114-D118 PolarHBondContact O-N 3.28Å; S115-D118 PolarHBondContact O-N 3.22Å; D118-D120 VanDerWaalsContact C-N 3.31Å; D118-D120 PolarHBondContact O-N 2.82Å; D118-D120 PolarHBondContact OD1-N 2.88Å; D118-D120 VanDerWaalsContact OD1-N 3.07Å; D118-A121 HydrophobicContact CB-CB 4.24Å; D118-A121 PolarHBondContact O-N 3.07Å; D118-A121 VanDerWaalsContact OD2-CB 3.32Å; D118-A121 WeakPolarHBondContact OD2-CB 3.23Å; D118-A121 PolarHBondContact OD2-N 2.81Å; D118-G122 PolarHBondContact O-N 3.03Å; D118-N123 WeakPolarHBondContact O-CA 3.28Å; D118-N123 WeakPolarHBondContact O-CB 3.26Å; D118-N123 PolarHBondContact O-N 2.91Å
119	P	78.9	Confident	84.5	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.006	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-23.2	177.2	29.1	-32.8	0	0	0	112.9	R24 N66 V117 A121 G122 D194	R24-P119 PolarHBondContact NH1-O 2.87Å; N66-P119 WeakPolarHBondContact OD1-CB 3.46Å; V117-P119 WeakPolarHBondContact O-CD 3.48Å; P119-A121 VanDerWaalsContact C-N 3.26Å; P119-A121 PolarHBondContact O-N 2.98Å; P119-G122 PolarHBondContact O-N 3.27Å; P119-D194 WeakPolarHBondContact CG-O 3.33Å
120	D	77.9	Confident	85	Confident	33 Å²	33	25.8 Å²	25.8	18%	0.176	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-32.1	177.2	-69.1	-3.6	0	0	0	110.2	P23 D118 G122 S195 R361	P23-D120 VanDerWaalsContact CG-O 3.23Å; P23-D120 WeakPolarHBondContact CG-O 3.43Å; D118-D120 VanDerWaalsContact C-N 3.31Å; D118-D120 PolarHBondContact O-N 2.82Å; D118-D120 PolarHBondContact OD1-N 2.88Å; D118-D120 VanDerWaalsContact OD1-N 3.07Å; D120-G122 VanDerWaalsContact C-N 3.29Å; D120-G122 PolarHBondContact O-N 2.88Å; D120-S195 VanDerWaalsContact OD1-CB 3.3Å; D120-S195 WeakPolarHBondContact OD1-CB 3.34Å; D120-S195 PolarHBondContact OD1-OG 3Å; D120-R361 IonicContact OD2-NH1 2.72Å
121	A	78.8	Confident	85.2	Confident	57 Å²	57	26.3 Å²	26.3	47%	0.471	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	3.3	166.8	0	0	0	0	0	115.8	D118 P119	D118-A121 HydrophobicContact CB-CB 4.24Å; D118-A121 PolarHBondContact O-N 3.07Å; D118-A121 VanDerWaalsContact OD2-CB 3.32Å; D118-A121 WeakPolarHBondContact OD2-CB 3.23Å; D118-A121 PolarHBondContact OD2-N 2.81Å; P119-A121 VanDerWaalsContact C-N 3.26Å; P119-A121 PolarHBondContact O-N 2.98Å
122	G	77.8	Confident	85.4	Confident	15 Å²	15	29.5 Å²	29.5	16%	0.155	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	28	-176.9	0	0	0	0	0	114.5	K64 D118 P119 D120	K64-G122 WeakPolarHBondContact CD-O 3.16Å; K64-G122 PolarHBondContact NZ-O 3.09Å; D118-G122 PolarHBondContact O-N 3.03Å; P119-G122 PolarHBondContact O-N 3.27Å; D120-G122 VanDerWaalsContact C-N 3.29Å; D120-G122 PolarHBondContact O-N 2.88Å
123	N	85	Confident	85.5	Confident	44 Å²	44	32.9 Å²	32.9	24%	0.235	21%	0.205	C	C	.	.			trans	-99.3	179.7	169.9	-70.2	-39.4	0	0	0	112.2	K64 S115 A116 V117 D118	K64-N123 PolarHBondContact NZ-OD1 3.27Å; S115-N123 PolarHBondContact O-ND2 3.2Å; A116-N123 WeakPolarHBondContact O-CB 3.35Å; V117-N123 CarbonylContact O-C 3.48Å; D118-N123 WeakPolarHBondContact O-CA 3.28Å; D118-N123 WeakPolarHBondContact O-CB 3.26Å; D118-N123 PolarHBondContact O-N 2.91Å
124	G	84.8	Confident	85.5	Confident	10 Å²	10	32.8 Å²	32.8	10%	0.103	20%	0.202	C	C	.	.			trans	170.4	151.9	178	0	0	0	0	0	113.4	L65 N66 V117 L126	L65-G124 CarbonylContact O-C 3.3Å; N66-G124 WeakPolarHBondContact ND2-CA 3.37Å; V117-G124 PolarHBondContact O-N 2.72Å; G124-L126 PolarHBondContact O-N 2.92Å
125	E	88	Confident	85.6	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.019	22%	0.221	C	C	.	.	S	Bend	trans	-65	-32.4	-175.3	-60.7	90.9	150.6	0	0	113.3	L65 N66 S67 K68 Y86 N87 V117 R187	L65-E125 PolarHBondContact O-N 2.86Å; L65-E125 VanDerWaalsContact O-N 3.16Å; N66-E125 WeakPolarHBondContact CA-OE2 3.39Å; N66-E125 VanDerWaalsContact CB-OE2 3.26Å; N66-E125 WeakPolarHBondContact CB-OE2 3.37Å; N66-E125 PolarHBondContact ND2-OE2 2.95Å; S67-E125 VanDerWaalsContact O-CB 3.29Å; S67-E125 WeakPolarHBondContact O-CB 3.27Å; S67-E125 WeakPolarHBondContact O-CG 3.45Å; K68-E125 WeakPolarHBondContact CE-OE1 3.34Å; K68-E125 HydrophobicContact CG-CG 4.31Å; Y86-E125 HydrophobicContact CE2-CB 4.49Å; N87-E125 PolarHBondContact N-O 3.24Å; N87-E125 WeakPolarHBondContact O-CA 3.41Å; V117-E125 HydrophobicContact CG1-CG 3.76Å; V117-E125 WeakPolarHBondContact CG1-OE1 3.46Å; V117-E125 WeakPolarHBondContact CG1-OE2 3.27Å; V117-E125 HydrophobicContact CG2-CG 4.23Å; E125-R187 IonicContact OE1-CZ 3.52Å; E125-R187 IonicContact OE1-NH1 2.61Å; E125-R187 PolarHBondContact OE1-NH1 2.85Å; E125-R187 IonicContact OE2-NH1 3.24Å; E125-R187 PolarHBondContact OE2-NH1 3.49Å
126	L	91.8	Very high	85.6	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	106.4	-174.1	-179.7	65.8	0	0	0	111.2	K64 L65 I72 F84 I85 Y86 G124 I128 I148 P191	K64-L126 CarbonylContact C-O 3.56Å; K64-L126 WeakPolarHBondContact CA-O 3.01Å; L65-L126 HydrophobicContact CB-CB 4.26Å; L65-L126 HydrophobicContact CB-CD2 4.35Å; L65-L126 PolarHBondContact N-O 2.97Å; L65-L126 PolarHBondContact O-N 3.4Å; I72-L126 HydrophobicContact CD1-CD2 4.4Å; I72-L126 HydrophobicContact CG1-CD1 4.45Å; I72-L126 HydrophobicContact CG1-CD2 4.5Å; F84-L126 HydrophobicContact CB-CD1 4.1Å; F84-L126 HydrophobicContact CD2-CD1 3.63Å; F84-L126 HydrophobicContact CE2-CD1 4.45Å; F84-L126 HydrophobicContact CG-CD1 4.2Å; I85-L126 CarbonylContact O-C 3.55Å; Y86-L126 HydrophobicContact CD2-CD1 4.38Å; G124-L126 PolarHBondContact O-N 2.92Å; L126-I128 HydrophobicContact CG-CG1 4.4Å; L126-I148 HydrophobicContact CD2-CD1 4.39Å; L126-P191 HydrophobicContact CD2-CB 4.16Å
127	C	92.4	Very high	85.4	Confident	32 Å²	32	44.3 Å²	44.3	22%	0.216	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	102.7	177.7	-72	0	0	0	0	111.5	F84 I85	F84-C127 CarbonylContact C-O 3.56Å; F84-C127 WeakPolarHBondContact CA-O 3.25Å; I85-C127 HydrophobicContact CB-CB 4.35Å; I85-C127 PolarHBondContact N-O 3.03Å; I85-C127 PolarHBondContact O-N 3.29Å
128	I	93.2	Very high	85.4	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	130.8	172.4	-54	171.6	0	0	0	109.2	R62 I63 L65 V75 I77 A82 F84 L126 I146 I148	R62-I128 CarbonylContact C-O 3.6Å; R62-I128 VanDerWaalsContact CA-O 3.32Å; R62-I128 WeakPolarHBondContact CA-O 3.21Å; I63-I128 PolarHBondContact N-O 3.39Å; I63-I128 PolarHBondContact O-N 3.5Å; L65-I128 HydrophobicContact CD1-CD1 3.43Å; L65-I128 VanDerWaalsContact CD1-CD1 3.43Å; L65-I128 HydrophobicContact CD1-CG1 4.33Å; V75-I128 HydrophobicContact CG1-CD1 3.7Å; V75-I128 HydrophobicContact CG1-CG1 4.1Å; V75-I128 HydrophobicContact CG1-CG2 3.84Å; I77-I128 HydrophobicContact CD1-CG2 3.95Å; A82-I128 HydrophobicContact CB-CG2 3.85Å; F84-I128 HydrophobicContact CB-CG1 4.29Å; L126-I128 HydrophobicContact CG-CG1 4.4Å; I128-I146 HydrophobicContact CD1-CD1 4.43Å; I128-I146 HydrophobicContact CD1-CG2 3.87Å; I128-I148 HydrophobicContact CD1-CD1 4Å
129	K	92.6	Very high	85.4	Confident	95 Å²	95	46.2 Å²	46.2	41%	0.413	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	132.5	170	-61.6	176.2	-176.7	172.8	0	109.5	A83	A83-K129 HydrophobicContact CB-CD 4.39Å; A83-K129 WeakPolarHBondContact O-CB 3.39Å; A83-K129 PolarHBondContact O-N 2.92Å
130	V	91	Very high	85.7	Confident	6 Å²	6	51.3 Å²	51.3	4%	0.036	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-76.7	128.1	174.5	-178	0	0	0	0	109.2	L60 N61 I63 I77 L134 W135 V138	L60-V130 VanDerWaalsContact O-CG2 3.27Å; L60-V130 WeakPolarHBondContact O-CG2 3.48Å; N61-V130 PolarHBondContact O-N 2.87Å; I63-V130 HydrophobicContact CD1-CG2 3.9Å; I63-V130 HydrophobicContact CG1-CG2 4.07Å; I77-V130 HydrophobicContact CD1-CG2 4.45Å; V130-L134 HydrophobicContact CG1-CB 3.89Å; V130-W135 PolarHBondContact O-NE1 2.88Å; V130-V138 HydrophobicContact CG1-CG2 4.26Å
131	P	90.4	Very high	85.9	Confident	25 Å²	25	54 Å²	54	16%	0.162	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-55	143	174.2	-27	34.6	0	0	0	112.9	L80 A82 E133 L134 W135	L80-P131 HydrophobicContact CB-CG 4.45Å; A82-P131 HydrophobicContact CB-CG 4.29Å; P131-E133 PolarHBondContact O-N 2.66Å; P131-L134 HydrophobicContact CG-CD1 4.39Å; P131-L134 PolarHBondContact O-N 2.78Å; P131-W135 PolarHBondContact O-N 2.73Å; P131-W135 PolarHBondContact O-NE1 2.58Å
132	S	86	Confident	86.1	Confident	80 Å²	80	55.9 Å²	55.9	56%	0.559	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-60.8	-30.6	-177.7	43.5	0	0	0	0	113.9	L134 W135	S132-L134 PolarHBondContact O-N 2.89Å; S132-W135 WeakPolarHBondContact O-CB 3.49Å; S132-W135 PolarHBondContact O-N 2.72Å
133	E	85.8	Confident	86.6	Confident	132 Å²	132	58.1 Å²	58.1	62%	0.617	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-59.7	-33.5	172.3	-67.5	166.1	-149.4	0	0	112.3	L80 P131	L80-E133 HydrophobicContact CD1-CB 4.17Å; L80-E133 WeakPolarHBondContact CD1-OE2 3.29Å; P131-E133 PolarHBondContact O-N 2.66Å
134	L	84.1	Confident	86.8	Confident	11 Å²	11	56 Å²	56	6%	0.058	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-88.5	-5.8	-179.8	-62.7	-179.7	0	0	0	113.8	I77 N78 L80 V130 P131 S132 K136 H137 V138	I77-L134 HydrophobicContact CB-CD1 3.93Å; I77-L134 HydrophobicContact CG2-CD1 3.6Å; N78-L134 HydrophobicContact CB-CD1 4.42Å; N78-L134 HydrophobicContact CB-CD2 4.5Å; L80-L134 HydrophobicContact CD1-CD1 4.32Å; L80-L134 HydrophobicContact CD1-CD2 4.29Å; L80-L134 HydrophobicContact CD1-CG 4.04Å; V130-L134 HydrophobicContact CG1-CB 3.89Å; P131-L134 HydrophobicContact CG-CD1 4.39Å; P131-L134 PolarHBondContact O-N 2.78Å; S132-L134 PolarHBondContact O-N 2.89Å; L134-K136 VanDerWaalsContact C-N 3.3Å; L134-K136 PolarHBondContact O-N 2.87Å; L134-H137 WeakPolarHBondContact O-CB 3.3Å; L134-H137 PolarHBondContact O-N 2.95Å; L134-H137 VanDerWaalsContact O-N 3.1Å; L134-V138 PolarHBondContact O-N 3.49Å
135	W	85.1	Confident	87.2	Confident	111 Å²	111	61.4 Å²	61.4	42%	0.42	30%	0.298	S	S	.	.	H	α-helix	trans	-61.3	-39.8	178.1	-65.3	-0.2	0	0	0	111.6	V130 P131 S132 H137 V138 D139	V130-W135 PolarHBondContact O-NE1 2.88Å; P131-W135 PolarHBondContact O-N 2.73Å; P131-W135 PolarHBondContact O-NE1 2.58Å; S132-W135 WeakPolarHBondContact O-CB 3.49Å; S132-W135 PolarHBondContact O-N 2.72Å; W135-H137 VanDerWaalsContact C-N 3.31Å; W135-H137 PolarHBondContact O-N 2.92Å; W135-V138 WeakPolarHBondContact O-CB 3.49Å; W135-V138 PolarHBondContact O-N 2.81Å; W135-V138 VanDerWaalsContact O-N 3.09Å; W135-D139 VanDerWaalsContact O-CG 3.3Å; W135-D139 PolarHBondContact O-N 3.47Å
136	K	83.8	Confident	87.6	Confident	164 Å²	164	61.2 Å²	61.2	71%	0.713	30%	0.298	S	S	*	.	H	α-helix	trans	-59	-41.5	173.5	-65.8	-177	-179.7	179.2	0	112.3	L134 V138 D139 E140	L134-K136 VanDerWaalsContact C-N 3.3Å; L134-K136 PolarHBondContact O-N 2.87Å; K136-V138 VanDerWaalsContact C-N 3.32Å; K136-V138 PolarHBondContact O-N 2.89Å; K136-D139 PolarHBondContact O-N 2.76Å; K136-E140 WeakPolarHBondContact O-CB 3.47Å; K136-E140 VanDerWaalsContact O-CG 3.25Å; K136-E140 WeakPolarHBondContact O-CG 3.36Å; K136-E140 PolarHBondContact O-N 3.42Å
137	H	80.8	Confident	87.7	Confident	77 Å²	77	63.8 Å²	63.8	36%	0.356	31%	0.31	S	S	.	.	H	α-helix	trans	-67.4	-33.1	176.6	-69	-81.4	0	0	0	112.4	L134 W135 E140 L141 K142	L134-H137 WeakPolarHBondContact O-CB 3.3Å; L134-H137 PolarHBondContact O-N 2.95Å; L134-H137 VanDerWaalsContact O-N 3.1Å; W135-H137 VanDerWaalsContact C-N 3.31Å; W135-H137 PolarHBondContact O-N 2.92Å; H137-E140 IonicContact ND1-OE2 3.92Å; H137-L141 PolarHBondContact O-N 3.16Å; H137-K142 HydrophobicContact CB-CB 4.49Å; H137-K142 WeakPolarHBondContact O-CB 3.34Å; H137-K142 PolarHBondContact O-N 3.03Å
138	V	83.3	Confident	87.9	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.006	30%	0.299	C	S	.	.	H	α-helix	trans	-69	-41.2	172.9	163	0	0	0	0	111.9	L60 V130 L134 W135 K136 E140 L141 L144	L60-V138 HydrophobicContact CB-CG1 3.65Å; V130-V138 HydrophobicContact CG1-CG2 4.26Å; L134-V138 PolarHBondContact O-N 3.49Å; W135-V138 WeakPolarHBondContact O-CB 3.49Å; W135-V138 PolarHBondContact O-N 2.81Å; W135-V138 VanDerWaalsContact O-N 3.09Å; K136-V138 VanDerWaalsContact C-N 3.32Å; K136-V138 PolarHBondContact O-N 2.89Å; V138-E140 VanDerWaalsContact C-N 3.31Å; V138-L141 WeakPolarHBondContact O-CA 3.44Å; V138-L141 PolarHBondContact O-N 2.82Å; V138-L144 HydrophobicContact CG2-CD1 3.84Å
139	D	82.4	Confident	88	Confident	72 Å²	72	65.2 Å²	65.2	39%	0.385	32%	0.315	S	S	.	.	H	α-helix	trans	-71.2	-28.5	178.1	-63.4	-29.9	0	0	0	112	A58 N59 W135 K136 L141	A58-D139 HydrophobicContact CB-CB 4.49Å; A58-D139 WeakPolarHBondContact CB-OD1 3.2Å; N59-D139 PolarHBondContact N-OD1 3.34Å; W135-D139 VanDerWaalsContact O-CG 3.3Å; W135-D139 PolarHBondContact O-N 3.47Å; K136-D139 PolarHBondContact O-N 2.76Å; D139-L141 PolarHBondContact O-N 2.69Å
140	E	84.2	Confident	88.1	Confident	108 Å²	108	60.7 Å²	60.7	51%	0.505	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	1.7	165.1	-67.9	174.3	132.5	0	0	113.7	K136 H137 V138 K142	K136-E140 WeakPolarHBondContact O-CB 3.47Å; K136-E140 VanDerWaalsContact O-CG 3.25Å; K136-E140 WeakPolarHBondContact O-CG 3.36Å; K136-E140 PolarHBondContact O-N 3.42Å; H137-E140 IonicContact ND1-OE2 3.92Å; V138-E140 VanDerWaalsContact C-N 3.31Å; E140-K142 HydrophobicContact CB-CD 4.1Å; E140-K142 HydrophobicContact CB-CG 4.03Å; E140-K142 PolarHBondContact O-N 2.66Å; E140-K142 IonicContact OE1-NZ 3.43Å; E140-K142 PolarHBondContact OE1-NZ 3.44Å; E140-K142 WeakPolarHBondContact OE2-CD 3.43Å; E140-K142 WeakPolarHBondContact OE2-CE 3.19Å; E140-K142 IonicContact OE2-NZ 2.66Å; E140-K142 PolarHBondContact OE2-NZ 3.29Å
141	L	81.9	Confident	88.2	Confident	91 Å²	91	60.4 Å²	60.4	48%	0.476	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	30.1	-176.5	-58.5	174.3	0	0	0	114.2	P55 H137 V138 D139	P55-L141 HydrophobicContact CB-CD2 4.25Å; H137-L141 PolarHBondContact O-N 3.16Å; V138-L141 WeakPolarHBondContact O-CA 3.44Å; V138-L141 PolarHBondContact O-N 2.82Å; D139-L141 PolarHBondContact O-N 2.69Å
142	K	83.8	Confident	88.2	Confident	95 Å²	95	59.3 Å²	59.3	41%	0.413	29%	0.286	S	S	.	.			trans	-74.8	150.3	178.4	-69.4	174.1	-179.5	162	0	111.4	P55 H137 E140	P55-K142 WeakPolarHBondContact CD-O 3.39Å; H137-K142 HydrophobicContact CB-CB 4.49Å; H137-K142 WeakPolarHBondContact O-CB 3.34Å; H137-K142 PolarHBondContact O-N 3.03Å; E140-K142 HydrophobicContact CB-CD 4.1Å; E140-K142 HydrophobicContact CB-CG 4.03Å; E140-K142 PolarHBondContact O-N 2.66Å; E140-K142 IonicContact OE1-NZ 3.43Å; E140-K142 PolarHBondContact OE1-NZ 3.44Å; E140-K142 WeakPolarHBondContact OE2-CD 3.43Å; E140-K142 WeakPolarHBondContact OE2-CE 3.19Å; E140-K142 IonicContact OE2-NZ 2.66Å; E140-K142 PolarHBondContact OE2-NZ 3.29Å
143	V	87.8	Confident	88.2	Confident	62 Å²	62	59.9 Å²	59.9	38%	0.376	28%	0.283	S	S	.	.			trans	-65	134.2	179.6	-170.2	0	0	0	0	110.5	T52 F54	T52-V143 HydrophobicContact CG2-CG1 3.42Å; T52-V143 VanDerWaalsContact CG2-CG1 3.42Å; F54-V143 HydrophobicContact CD1-CG2 4Å; F54-V143 HydrophobicContact CD2-CG1 4.04Å; F54-V143 HydrophobicContact CD2-CG2 4.34Å; F54-V143 HydrophobicContact CE1-CG2 3.52Å; F54-V143 HydrophobicContact CE2-CB 4.46Å; F54-V143 HydrophobicContact CE2-CG1 3.7Å; F54-V143 HydrophobicContact CE2-CG2 3.87Å; F54-V143 HydrophobicContact CG-CG2 4.4Å; F54-V143 HydrophobicContact CZ-CB 4.47Å; F54-V143 HydrophobicContact CZ-CG1 4.14Å; F54-V143 HydrophobicContact CZ-CG2 3.45Å; F54-V143 VanDerWaalsContact CZ-CG2 3.45Å
144	L	90.8	Very high	88.2	Confident	0 Å²	0	60 Å²	60	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	138.3	172.3	-59.6	-179.1	0	0	0	110.2	V53 I63 I77 V138	V53-L144 HydrophobicContact CB-CB 4.4Å; V53-L144 PolarHBondContact N-O 3.23Å; V53-L144 PolarHBondContact O-N 2.91Å; I63-L144 HydrophobicContact CD1-CD1 4.26Å; I77-L144 HydrophobicContact CG2-CB 4.16Å; I77-L144 HydrophobicContact CG2-CD1 4.34Å; I77-L144 HydrophobicContact CG2-CD2 4.32Å; V138-L144 HydrophobicContact CG2-CD1 3.84Å
145	K	92.9	Very high	88.2	Confident	123 Å²	123	60.4 Å²	60.4	54%	0.535	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.8	166	-68.5	-170.7	174.9	-166.6	0	109.3	I77 N78	I77-K145 WeakPolarHBondContact CA-O 3.27Å; N78-K145 PolarHBondContact N-O 3.03Å; N78-K145 PolarHBondContact OD1-N 2.89Å; N78-K145 PolarHBondContact OD1-O 3.23Å
146	I	94.8	Very high	88	Confident	1 Å²	1	62 Å²	62	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.2	172.8	-49.7	-176.8	0	0	0	108.4	E50 L51 V53 I63 V75 R76 I77 I128 I148	E50-I146 CarbonylContact C-O 3.6Å; E50-I146 VanDerWaalsContact CA-O 3.27Å; E50-I146 WeakPolarHBondContact CA-O 3.4Å; L51-I146 HydrophobicContact CB-CB 4.49Å; L51-I146 PolarHBondContact N-O 3.29Å; L51-I146 PolarHBondContact O-N 2.97Å; V53-I146 HydrophobicContact CG2-CD1 3.72Å; V53-I146 HydrophobicContact CG2-CG1 3.97Å; I63-I146 HydrophobicContact CB-CD1 4.49Å; I63-I146 HydrophobicContact CD1-CD1 3.76Å; I63-I146 HydrophobicContact CG2-CD1 4.02Å; V75-I146 HydrophobicContact CG1-CG2 4.18Å; R76-I146 CarbonylContact O-C 3.46Å; R76-I146 WeakPolarHBondContact O-CA 3.32Å; I77-I146 HydrophobicContact CG1-CG1 4.21Å; I77-I146 HydrophobicContact CG1-CG2 4.33Å; I128-I146 HydrophobicContact CD1-CD1 4.43Å; I128-I146 HydrophobicContact CD1-CG2 3.87Å; I146-I148 HydrophobicContact CG2-CD1 4.15Å; I146-I148 HydrophobicContact CG2-CG1 3.82Å
147	H	95.6	Very high	87.9	Confident	54 Å²	54	54.7 Å²	54.7	25%	0.25	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117	173.9	171.7	-62.9	0	0	0	109.6	F48 V49 E50 R76	F48-H147 AromaticContact CD2-CD2 3.7Å; F48-H147 AromaticContact CD2-NE2 3.41Å; F48-H147 WeakPolarHBondContact CD2-NE2 3.31Å; F48-H147 AromaticContact CG-NE2 3.57Å; V49-H147 WeakPolarHBondContact O-CA 3.18Å; E50-H147 IonicContact OE1-CD2 3.41Å; R76-H147 HydrophobicContact CB-CB 4.44Å; R76-H147 PolarHBondContact N-O 2.82Å; R76-H147 PolarHBondContact O-N 3.27Å
148	I	95.5	Very high	88.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.9	-179.1	-51.3	176.6	0	0	0	109.2	F48 V49 L51 L65 I72 V75 L126 I128 I146 P191	F48-I148 CarbonylContact C-O 3.54Å; F48-I148 WeakPolarHBondContact CA-O 3.38Å; F48-I148 WeakPolarHBondContact CB-O 3.45Å; V49-I148 HydrophobicContact CG1-CB 3.9Å; V49-I148 HydrophobicContact CG1-CG1 4.5Å; V49-I148 PolarHBondContact N-O 3.43Å; V49-I148 PolarHBondContact O-N 3.1Å; L51-I148 HydrophobicContact CD1-CD1 4.01Å; L51-I148 HydrophobicContact CD1-CG1 4.44Å; L65-I148 HydrophobicContact CD1-CD1 3.89Å; I72-I148 HydrophobicContact CD1-CG2 4.13Å; I72-I148 HydrophobicContact CG2-CG2 3.95Å; V75-I148 HydrophobicContact CG1-CG1 4.46Å; V75-I148 HydrophobicContact CG2-CG1 4.5Å; V75-I148 HydrophobicContact CG2-CG2 4.32Å; L126-I148 HydrophobicContact CD2-CD1 4.39Å; I128-I148 HydrophobicContact CD1-CD1 4Å; I146-I148 HydrophobicContact CG2-CD1 4.15Å; I146-I148 HydrophobicContact CG2-CG1 3.82Å; I148-P191 HydrophobicContact CD1-CB 4.14Å; I148-P191 HydrophobicContact CG2-CG 4.14Å
149	N	95.5	Very high	88.3	Confident	62 Å²	62	51.5 Å²	51.5	33%	0.332	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127.6	172.4	-175.1	-17.4	0	0	0	109.3	G47 Y73 R74	G47-N149 PolarHBondContact O-OD1 2.8Å; Y73-N149 PolarHBondContact N-O 3.4Å; R74-N149 PolarHBondContact O-N 3.48Å
150	F	94.5	Very high	88.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	163.1	-172	69	-85.7	0	0	0	113.1	G47 V49 R71 I72 W189 F190 P191	G47-F150 PolarHBondContact N-O 2.91Å; G47-F150 WeakPolarHBondContact O-CD1 3.36Å; G47-F150 PolarHBondContact O-N 3.41Å; V49-F150 HydrophobicContact CB-CE1 4.24Å; V49-F150 HydrophobicContact CG1-CD1 4.3Å; V49-F150 HydrophobicContact CG1-CE1 4.12Å; R71-F150 CarbonylContact O-C 3.55Å; R71-F150 WeakPolarHBondContact O-CA 3.31Å; I72-F150 HydrophobicContact CD1-CB 4.12Å; F150-W189 WeakPolarHBondContact CE2-O 3.28Å; F150-F190 HydrophobicContact CE1-CB 3.94Å; F150-F190 HydrophobicContact CE2-CB 3.75Å; F150-F190 HydrophobicContact CZ-CB 3.38Å; F150-P191 HydrophobicContact CB-CG 4.37Å; F150-P191 HydrophobicContact CD1-CG 4.44Å; F150-P191 HydrophobicContact CG-CG 4.37Å
151	S	93.7	Very high	89	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	150.9	172.6	46.1	0	0	0	0	112.2	V45 R71 Y73	V45-S151 CarbonylContact O-C 3.57Å; V45-S151 VanDerWaalsContact O-CA 3.31Å; V45-S151 WeakPolarHBondContact O-CA 3.17Å; R71-S151 WeakPolarHBondContact CB-OG 3.32Å; R71-S151 PolarHBondContact N-O 2.83Å; R71-S151 PolarHBondContact O-N 3.02Å; R71-S151 PolarHBondContact O-OG 2.86Å; Y73-S151 WeakPolarHBondContact CE2-OG 3.44Å; Y73-S151 PolarHBondContact OH-OG 3.25Å
152	L	91.1	Very high	89.4	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.4	164.2	-68.2	171.2	0	0	0	107.9	S44 V45 Q69 L159 W189	S44-L152 CarbonylContact C-O 3.54Å; S44-L152 WeakPolarHBondContact CA-O 3.37Å; S44-L152 PolarHBondContact OG-O 2.9Å; V45-L152 HydrophobicContact CB-CB 4.36Å; V45-L152 PolarHBondContact N-O 2.89Å; V45-L152 PolarHBondContact O-N 3.38Å; Q69-L152 HydrophobicContact CG-CD2 3.94Å; L152-L159 HydrophobicContact CD1-CD1 3.73Å; L152-L159 HydrophobicContact CD1-CG 4.28Å; L152-W189 WeakPolarHBondContact CD1-O 3.35Å
153	D	85.5	Confident	89.5	Confident	93 Å²	93	37.6 Å²	37.6	50%	0.497	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.5	171.9	-71.5	-41.7	0	0	0	108.6	S44	S44-D153 WeakPolarHBondContact CB-OD1 3.28Å; S44-D153 PolarHBondContact OG-OD1 3.31Å
154	Q	85.4	Confident	89.2	Confident	133 Å²	133	36.5 Å²	36.5	62%	0.621	18%	0.183	S	C	*	.	S	Bend	trans	48.1	63.3	-176	-59.6	-173.5	-6.7	0	0	113.3	K43 K156	K43-Q154 HydrophobicContact CB-CG 4.4Å; K43-Q154 WeakPolarHBondContact O-CA 3.42Å; K43-Q154 PolarHBondContact O-N 3.49Å; Q154-K156 PolarHBondContact O-N 3.44Å
155	P	85.1	Confident	88.4	Confident	20 Å²	20	42 Å²	42	13%	0.13	22%	0.222	C	C	.	.			trans	-58.6	135.6	-178.4	25.3	-33.4	0	0	0	111.2	K43 L159 F161	K43-P155 VanDerWaalsContact O-CD 3.25Å; K43-P155 WeakPolarHBondContact O-CD 3.4Å; P155-L159 HydrophobicContact CB-CB 4.28Å; P155-L159 HydrophobicContact CG-CB 3.94Å; P155-F161 HydrophobicContact CG-CD2 3.88Å; P155-F161 HydrophobicContact CG-CE2 3.8Å
156	K	80.5	Confident	87.3	Confident	145 Å²	145	40.7 Å²	40.7	63%	0.63	22%	0.224	S	C	*	.	S	Bend	trans	-105.1	8.9	-176.6	-69.7	174	178.2	178	0	113.3	Q154 H963	Q154-K156 PolarHBondContact O-N 3.44Å; K156-H963 HydrophobicContact CB-CB 3.92Å; K156-H963 WeakPolarHBondContact CD-NE2 3.33Å; K156-H963 WeakPolarHBondContact O-CB 3.5Å
157	G	81.8	Confident	85.8	Confident	11 Å²	11	48.9 Å²	48.9	11%	0.113	26%	0.262	C	S	.	.	S	Bend	trans	-179.8	167.9	-179.1	0	0	0	0	0	108.4	Q69 L159	Q69-G157 PolarHBondContact NE2-O 3.35Å; G157-L159 PolarHBondContact O-N 2.9Å
158	G	83.6	Confident	84.5	Confident	5 Å²	5	48.4 Å²	48.4	5%	0.052	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.1	-48	179.6	0	0	0	0	0	114.6	S179 C180	G158-S179 CarbonylContact O-C 3.5Å; G158-S179 VanDerWaalsContact O-CA 3.26Å; G158-S179 WeakPolarHBondContact O-CA 3.41Å; G158-C180 CarbonylContact C-O 3.52Å; G158-C180 VanDerWaalsContact CA-O 3.24Å; G158-C180 WeakPolarHBondContact CA-O 3.25Å; G158-C180 PolarHBondContact N-O 3.29Å; G158-C180 PolarHBondContact O-N 3.27Å
159	L	89.1	Confident	83.5	Confident	6 Å²	6	51 Å²	51	3%	0.031	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.4	167.2	-66.3	-175.7	0	0	0	109.5	V45 L152 P155 G157 F178 W189	V45-L159 HydrophobicContact CG2-CD1 3.83Å; L152-L159 HydrophobicContact CD1-CD1 3.73Å; L152-L159 HydrophobicContact CD1-CG 4.28Å; P155-L159 HydrophobicContact CB-CB 4.28Å; P155-L159 HydrophobicContact CG-CB 3.94Å; G157-L159 PolarHBondContact O-N 2.9Å; L159-F178 CarbonylContact C-O 3.52Å; L159-F178 WeakPolarHBondContact CA-O 3.42Å; L159-W189 HydrophobicContact CD2-CD2 4.34Å; L159-W189 HydrophobicContact CD2-CG 3.97Å; L159-W189 HydrophobicContact CG-CB 4.46Å; L159-W189 HydrophobicContact CG-CG 4.17Å
160	H	90.1	Very high	82.5	Confident	23 Å²	23	50.1 Å²	50.1	11%	0.106	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137	172.6	-170.3	46.4	0	0	0	111	V177 F178 C180 E311 P918	H160-V177 VanDerWaalsContact O-CA 3.25Å; H160-V177 WeakPolarHBondContact O-CA 3.29Å; H160-V177 WeakPolarHBondContact O-CG2 3.49Å; H160-F178 HydrophobicContact CB-CD1 4.42Å; H160-F178 HydrophobicContact CB-CE1 4.06Å; H160-F178 HydrophobicContact CB-CE2 4.47Å; H160-F178 HydrophobicContact CB-CZ 4.08Å; H160-F178 AromaticContact CD2-CE1 3.72Å; H160-F178 AromaticContact CD2-CZ 3.83Å; H160-F178 PolarHBondContact N-O 2.87Å; H160-F178 PolarHBondContact O-N 2.98Å; H160-C180 HydrophobicContact CB-CB 3.57Å; H160-E311 IonicContact CD2-OE2 2.87Å; H160-E311 IonicContact CE1-OE2 3.86Å; H160-E311 IonicContact NE2-OE2 3.92Å; H160-E311 PolarHBondContact NE2-OE2 3.32Å; H160-P918 PolarHBondContact CE1-O 3.07Å
161	F	90.6	Very high	81.4	Confident	9 Å²	9	51.4 Å²	51.4	4%	0.039	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	91.4	-174.9	-87.4	-89.1	0	0	0	110.6	I38 F40 K43 V45 P155 V163 V177	I38-F161 HydrophobicContact CG2-CE1 4.02Å; I38-F161 HydrophobicContact CG2-CZ 4.16Å; F40-F161 AromaticContact CD1-CD1 3.92Å; F40-F161 HydrophobicContact CD1-CD1 3.92Å; F40-F161 HydrophobicContact CD1-CE1 4.11Å; F40-F161 HydrophobicContact CE1-CD1 4.3Å; F40-F161 HydrophobicContact CE1-CE1 4.39Å; K43-F161 HydrophobicContact CB-CB 4.26Å; K43-F161 HydrophobicContact CB-CD1 4.36Å; K43-F161 HydrophobicContact CB-CD2 4.09Å; K43-F161 HydrophobicContact CB-CE2 4.48Å; K43-F161 HydrophobicContact CB-CG 4.02Å; K43-F161 HydrophobicContact CD-CB 3.79Å; K43-F161 HydrophobicContact CD-CG 4.46Å; K43-F161 HydrophobicContact CG-CB 3.97Å; K43-F161 HydrophobicContact CG-CD1 4.36Å; K43-F161 HydrophobicContact CG-CG 4.14Å; K43-F161 PolarHBondContact NZ-O 2.89Å; V45-F161 HydrophobicContact CG2-CE2 4.02Å; V45-F161 HydrophobicContact CG2-CZ 3.67Å; P155-F161 HydrophobicContact CG-CD2 3.88Å; P155-F161 HydrophobicContact CG-CE2 3.8Å; F161-V163 PolarHBondContact O-N 2.71Å; F161-V177 HydrophobicContact CD1-CB 3.79Å; F161-V177 HydrophobicContact CD1-CG2 3.8Å; F161-V177 HydrophobicContact CD2-CG2 3.84Å; F161-V177 HydrophobicContact CE1-CB 3.87Å; F161-V177 HydrophobicContact CE1-CG1 4.3Å; F161-V177 HydrophobicContact CE1-CG2 3.72Å; F161-V177 HydrophobicContact CE2-CG2 3.76Å; F161-V177 HydrophobicContact CG-CB 4.23Å; F161-V177 HydrophobicContact CG-CG2 3.87Å; F161-V177 HydrophobicContact CZ-CB 4.37Å; F161-V177 HydrophobicContact CZ-CG2 3.72Å
162	V	89.3	Confident	80.5	Confident	5 Å²	5	58.5 Å²	58.5	3%	0.03	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	110.9	175.6	-173.2	0	0	0	0	108.3	A175 H176 F178 E311	V162-A175 WeakPolarHBondContact O-CA 3.36Å; V162-H176 PolarHBondContact N-O 3.46Å; V162-H176 PolarHBondContact O-N 2.89Å; V162-H176 VanDerWaalsContact O-O 3.09Å; V162-F178 HydrophobicContact CG2-CE1 3.94Å; V162-E311 HydrophobicContact CG2-CB 4.17Å; V162-E311 HydrophobicContact CG2-CG 4.3Å
163	V	86.4	Confident	79.8	Confident	36 Å²	36	61.8 Å²	61.8	22%	0.218	34%	0.341	C	S	.	.			trans	-132.9	96.7	-179	-176.1	0	0	0	0	107.9	F40 F161 M170 A175	F40-V163 HydrophobicContact CD1-CG2 4.34Å; F161-V163 PolarHBondContact O-N 2.71Å; V163-M170 HydrophobicContact CG1-SD 4.31Å; V163-A175 HydrophobicContact CG1-CB 4.33Å; V163-A175 HydrophobicContact CG2-CB 4.41Å
164	P	81.8	Confident	79.7	Confident	39 Å²	39	58.2 Å²	58.2	25%	0.253	33%	0.325	S	S	.	.			trans	-61.2	145.3	177.5	-29.3	40.6	0	0	0	112.8	V166 R173	P164-V166 HydrophobicContact CB-CG2 4.33Å; P164-V166 PolarHBondContact O-N 2.85Å; P164-R173 WeakPolarHBondContact CD-O 3.34Å; P164-R173 WeakPolarHBondContact CG-O 3.27Å
165	S	74.4	Confident	79.9	Confident	116 Å²	116	51.9 Å²	51.9	81%	0.811	30%	0.296	S	S	*	.			trans	-78	-0.2	-175.8	46	0	0	0	0	114.7
166	V	69.6	Low	80.2	Confident	96 Å²	96	51.1 Å²	51.1	58%	0.582	29%	0.29	S	S	*	.			trans	-62.7	154	178.6	-168.6	0	0	0	0	111.1	P164 R173	P164-V166 HydrophobicContact CB-CG2 4.33Å; P164-V166 PolarHBondContact O-N 2.85Å; V166-R173 VanDerWaalsContact O-CD 3.23Å; V166-R173 WeakPolarHBondContact O-CD 3.16Å; V166-R173 WeakPolarHBondContact O-CG 3.45Å; V166-R173 PolarHBondContact O-NE 2.89Å; V166-R173 VanDerWaalsContact O-NE 3.09Å; V166-R173 PolarHBondContact O-NH1 3.18Å
167	E	61.7	Low	80.7	Confident	172 Å²	172	44.5 Å²	44.5	80%	0.804	26%	0.262	S	S	*	.	S	Bend	trans	-71.8	176.2	173.2	-59.9	-169.2	161.3	0	0	112.8
168	G	69.8	Low	81.3	Confident	44 Å²	44	44.1 Å²	44.1	45%	0.454	26%	0.258	S	S	.	.	S	Bend	trans	96.2	-170.6	-175.6	0	0	0	0	0	114.5	R173	G168-R173 VanDerWaalsContact O-CZ 3.26Å; G168-R173 PolarHBondContact O-NE 2.92Å; G168-R173 PolarHBondContact O-NH2 3.37Å
169	S	74.2	Confident	81.5	Confident	55 Å²	55	44.3 Å²	44.3	39%	0.385	26%	0.258	S	S	.	.			trans	-76.1	166.9	176.1	71.6	0	0	0	0	112.8	A171 E172 R173	S169-A171 VanDerWaalsContact C-N 3.26Å; S169-A171 PolarHBondContact O-N 2.78Å; S169-E172 WeakPolarHBondContact CA-OE2 3.36Å; S169-E172 WeakPolarHBondContact CB-OE2 3.28Å; S169-E172 PolarHBondContact N-OE2 3.36Å; S169-E172 PolarHBondContact O-N 3.41Å; S169-E172 VanDerWaalsContact OG-CD 3.24Å; S169-E172 WeakPolarHBondContact OG-CG 3.41Å; S169-E172 PolarHBondContact OG-N 2.97Å; S169-E172 PolarHBondContact OG-OE2 2.88Å; S169-R173 WeakPolarHBondContact O-CB 3.34Å; S169-R173 WeakPolarHBondContact O-CG 3.25Å; S169-R173 PolarHBondContact O-N 2.92Å
170	M	73.8	Confident	80.6	Confident	44 Å²	44	44.3 Å²	44.3	22%	0.217	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.8	-179.9	-65	-66.5	113.8	0	0	113.2	F40 V163 A175 M212	F40-M170 HydrophobicContact CB-SD 4.17Å; V163-M170 HydrophobicContact CG1-SD 4.31Å; M170-A175 HydrophobicContact CB-CB 4.39Å; M170-A175 VanDerWaalsContact O-CB 3.28Å; M170-A175 WeakPolarHBondContact O-CB 3.37Å; M170-A175 PolarHBondContact O-N 3.13Å; M170-A175 HydrophobicContact SD-CB 4.44Å; M170-M212 HydrophobicContact CB-CE 4.16Å
171	A	72.1	Confident	79.5	Confident	26 Å²	26	43.5 Å²	43.5	22%	0.215	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-43.1	176.7	0	0	0	0	0	111.9	S169 R173 G174 A211 M212 P253	S169-A171 VanDerWaalsContact C-N 3.26Å; S169-A171 PolarHBondContact O-N 2.78Å; A171-R173 VanDerWaalsContact C-N 3.3Å; A171-R173 PolarHBondContact O-N 3.1Å; A171-G174 PolarHBondContact O-N 3.39Å; A171-A211 HydrophobicContact CB-CB 4.05Å; A171-M212 HydrophobicContact CB-CE 4.23Å; A171-P253 HydrophobicContact CB-CB 4.26Å
172	E	74.3	Confident	78.3	Confident	150 Å²	150	44.4 Å²	44.4	70%	0.701	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-34.1	175.8	-68.1	159.6	139.5	0	0	112.1	S169 G174	S169-E172 WeakPolarHBondContact CA-OE2 3.36Å; S169-E172 WeakPolarHBondContact CB-OE2 3.28Å; S169-E172 PolarHBondContact N-OE2 3.36Å; S169-E172 PolarHBondContact O-N 3.41Å; S169-E172 VanDerWaalsContact OG-CD 3.24Å; S169-E172 WeakPolarHBondContact OG-CG 3.41Å; S169-E172 PolarHBondContact OG-N 2.97Å; S169-E172 PolarHBondContact OG-OE2 2.88Å; E172-G174 PolarHBondContact O-N 3.43Å
173	R	77.3	Confident	77.6	Confident	70 Å²	70	44.9 Å²	44.9	26%	0.264	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-6.5	170.4	-69	173.8	-157	-128.9	-1.2	113.9	P164 V166 G168 S169 A171 A175	P164-R173 WeakPolarHBondContact CD-O 3.34Å; P164-R173 WeakPolarHBondContact CG-O 3.27Å; V166-R173 VanDerWaalsContact O-CD 3.23Å; V166-R173 WeakPolarHBondContact O-CD 3.16Å; V166-R173 WeakPolarHBondContact O-CG 3.45Å; V166-R173 PolarHBondContact O-NE 2.89Å; V166-R173 VanDerWaalsContact O-NE 3.09Å; V166-R173 PolarHBondContact O-NH1 3.18Å; G168-R173 VanDerWaalsContact O-CZ 3.26Å; G168-R173 PolarHBondContact O-NE 2.92Å; G168-R173 PolarHBondContact O-NH2 3.37Å; S169-R173 WeakPolarHBondContact O-CB 3.34Å; S169-R173 WeakPolarHBondContact O-CG 3.25Å; S169-R173 PolarHBondContact O-N 2.92Å; A171-R173 VanDerWaalsContact C-N 3.3Å; A171-R173 PolarHBondContact O-N 3.1Å; R173-A175 PolarHBondContact O-N 2.91Å
174	G	82.1	Confident	77.4	Confident	17 Å²	17	43.3 Å²	43.3	18%	0.175	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	65	21.6	-174.3	0	0	0	0	0	114.2	A171 E172 H176	A171-G174 PolarHBondContact O-N 3.39Å; E172-G174 PolarHBondContact O-N 3.43Å; G174-H176 PolarHBondContact O-N 3.45Å; G174-H176 PolarHBondContact O-ND1 2.72Å
175	A	89.6	Confident	77.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.245	C	C	.	.			trans	-67.1	133.8	-174.4	0	0	0	0	0	111.5	V162 V163 M170 R173 M212	V162-A175 WeakPolarHBondContact O-CA 3.36Å; V163-A175 HydrophobicContact CG1-CB 4.33Å; V163-A175 HydrophobicContact CG2-CB 4.41Å; M170-A175 HydrophobicContact CB-CB 4.39Å; M170-A175 VanDerWaalsContact O-CB 3.28Å; M170-A175 WeakPolarHBondContact O-CB 3.37Å; M170-A175 PolarHBondContact O-N 3.13Å; M170-A175 HydrophobicContact SD-CB 4.44Å; R173-A175 PolarHBondContact O-N 2.91Å; A175-M212 WeakPolarHBondContact O-CE 3.2Å
176	H	91.8	Very high	78.3	Confident	4 Å²	4	37 Å²	37	2%	0.019	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	156	-173.4	57	-88.5	0	0	0	112.1	V162 G174 I251 L270 I309	V162-H176 PolarHBondContact N-O 3.46Å; V162-H176 PolarHBondContact O-N 2.89Å; V162-H176 VanDerWaalsContact O-O 3.09Å; G174-H176 PolarHBondContact O-N 3.45Å; G174-H176 PolarHBondContact O-ND1 2.72Å; H176-I251 CarbonylContact C-O 3.51Å; H176-I251 VanDerWaalsContact CA-O 3.23Å; H176-I251 WeakPolarHBondContact CA-O 3.41Å; H176-I251 VanDerWaalsContact CB-O 3.29Å; H176-I251 WeakPolarHBondContact CB-O 3.27Å; H176-L270 HydrophobicContact CB-CD2 4.42Å; H176-I309 WeakPolarHBondContact CD2-CG2 3.41Å; H176-I309 WeakPolarHBondContact NE2-CG2 3.44Å
177	V	92.5	Very high	79.3	Confident	6 Å²	6	32.6 Å²	32.6	4%	0.036	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.5	178.5	58.4	0	0	0	0	109.4	I38 F40 H160 F161 I251	I38-V177 HydrophobicContact CG2-CG1 4.15Å; F40-V177 HydrophobicContact CE1-CB 3.95Å; F40-V177 HydrophobicContact CE1-CG1 3.77Å; F40-V177 HydrophobicContact CZ-CG1 3.83Å; H160-V177 VanDerWaalsContact O-CA 3.25Å; H160-V177 WeakPolarHBondContact O-CA 3.29Å; H160-V177 WeakPolarHBondContact O-CG2 3.49Å; F161-V177 HydrophobicContact CD1-CB 3.79Å; F161-V177 HydrophobicContact CD1-CG2 3.8Å; F161-V177 HydrophobicContact CD2-CG2 3.84Å; F161-V177 HydrophobicContact CE1-CB 3.87Å; F161-V177 HydrophobicContact CE1-CG1 4.3Å; F161-V177 HydrophobicContact CE1-CG2 3.72Å; F161-V177 HydrophobicContact CE2-CG2 3.76Å; F161-V177 HydrophobicContact CG-CB 4.23Å; F161-V177 HydrophobicContact CG-CG2 3.87Å; F161-V177 HydrophobicContact CZ-CB 4.37Å; F161-V177 HydrophobicContact CZ-CG2 3.72Å; V177-I251 HydrophobicContact CG1-CB 3.82Å; V177-I251 HydrophobicContact CG1-CD1 4.18Å; V177-I251 HydrophobicContact CG1-CG2 4.48Å; V177-I251 PolarHBondContact N-O 3.41Å; V177-I251 PolarHBondContact O-N 3.49Å
178	F	92.4	Very high	80.6	Confident	4 Å²	4	24.8 Å²	24.8	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	156	-179.6	66.9	-84.2	0	0	0	113.5	L159 H160 V162 C180 L249 A250 I309 D310	L159-F178 CarbonylContact C-O 3.52Å; L159-F178 WeakPolarHBondContact CA-O 3.42Å; H160-F178 HydrophobicContact CB-CD1 4.42Å; H160-F178 HydrophobicContact CB-CE1 4.06Å; H160-F178 HydrophobicContact CB-CE2 4.47Å; H160-F178 HydrophobicContact CB-CZ 4.08Å; H160-F178 AromaticContact CD2-CE1 3.72Å; H160-F178 AromaticContact CD2-CZ 3.83Å; H160-F178 PolarHBondContact N-O 2.87Å; H160-F178 PolarHBondContact O-N 2.98Å; V162-F178 HydrophobicContact CG2-CE1 3.94Å; F178-C180 HydrophobicContact CD2-CB 4.2Å; F178-C180 HydrophobicContact CE2-CB 3.94Å; F178-C180 PolarHBondContact O-N 3.15Å; F178-L249 CarbonylContact C-O 3.59Å; F178-L249 WeakPolarHBondContact CA-O 3.47Å; F178-A250 HydrophobicContact CB-CB 4.31Å; F178-I309 HydrophobicContact CB-CD1 3.72Å; F178-I309 HydrophobicContact CD1-CG2 3.49Å; F178-I309 VanDerWaalsContact CD1-CG2 3.49Å; F178-I309 HydrophobicContact CD2-CD1 4.46Å; F178-I309 HydrophobicContact CE1-CG2 3.66Å; F178-I309 HydrophobicContact CG-CD1 4.02Å; F178-I309 HydrophobicContact CG-CG2 4Å; F178-I309 HydrophobicContact CZ-CG2 4.34Å; F178-D310 WeakPolarHBondContact CE1-O 3.38Å
179	S	88.8	Confident	81.5	Confident	8 Å²	8	22.9 Å²	22.9	6%	0.056	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	113.3	172	55.8	0	0	0	0	110.2	G158 S248 L249	G158-S179 CarbonylContact O-C 3.5Å; G158-S179 VanDerWaalsContact O-CA 3.26Å; G158-S179 WeakPolarHBondContact O-CA 3.41Å; S179-S248 VanDerWaalsContact OG-CA 3.28Å; S179-S248 WeakPolarHBondContact OG-CA 3.33Å; S179-S248 WeakPolarHBondContact OG-CB 3.42Å; S179-L249 PolarHBondContact N-O 2.9Å; S179-L249 PolarHBondContact OG-N 2.64Å; S179-L249 PolarHBondContact OG-O 2.79Å
180	C	71	Confident	82.3	Confident	6 Å²	6	20.3 Å²	20.3	4%	0.041	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	105.1	-168.2	170.9	0	0	0	0	109.3	G158 H160 F178 Y313	G158-C180 CarbonylContact C-O 3.52Å; G158-C180 VanDerWaalsContact CA-O 3.24Å; G158-C180 WeakPolarHBondContact CA-O 3.25Å; G158-C180 PolarHBondContact N-O 3.29Å; G158-C180 PolarHBondContact O-N 3.27Å; H160-C180 HydrophobicContact CB-CB 3.57Å; F178-C180 HydrophobicContact CD2-CB 4.2Å; F178-C180 HydrophobicContact CE2-CB 3.94Å; F178-C180 PolarHBondContact O-N 3.15Å; C180-Y313 WeakPolarHBondContact SG-CD2 3.25Å
181	G	65.5	Low	83.2	Confident	6 Å²	6	18.2 Å²	18.2	6%	0.062	10%	0.095	C	C	.	.			trans	167.8	176.4	176.9	0	0	0	0	0	113.5	S185 Y319	G181-S185 WeakPolarHBondContact CA-OG 3.45Å; G181-Y319 PolarHBondContact O-OH 3.09Å
182	Y	66.4	Low	84.1	Confident	28 Å²	28	17 Å²	17	11%	0.11	9%	0.085	C	C	.	.	S	Bend	trans	-113.2	150.4	172.8	-156.9	-119.3	0	0	0	109.8	N184 S185 K371 Y446 W965	Y182-N184 PolarHBondContact O-N 2.89Å; Y182-N184 VanDerWaalsContact O-N 3.14Å; Y182-S185 PolarHBondContact N-OG 2.86Å; Y182-S185 VanDerWaalsContact N-OG 3.09Å; Y182-S185 WeakPolarHBondContact O-CB 3.49Å; Y182-S185 PolarHBondContact O-N 3.44Å; Y182-S185 PolarHBondContact O-OG 3.3Å; Y182-K371 PolarHBondContact OH-NZ 3.01Å; Y182-Y446 HydrophobicContact CE1-CD1 4.36Å; Y182-Y446 AromaticContact CE1-CE1 3.52Å; Y182-Y446 HydrophobicContact CE1-CE1 3.52Å; Y182-Y446 AromaticContact CE1-CZ 3.76Å; Y182-Y446 AromaticContact CZ-CE1 3.75Å; Y182-Y446 WeakPolarHBondContact OH-CE1 3.33Å; Y182-Y446 PolarHBondContact OH-OH 3.1Å; Y182-Y446 VanDerWaalsContact OH-OH 3.13Å; Y182-W965 WeakPolarHBondContact O-CH2 3.5Å; Y182-W965 WeakPolarHBondContact O-CZ2 3.48Å
183	Q	74.4	Confident	84.8	Confident	15 Å²	15	9.9 Å²	9.9	7%	0.07	5%	0.052	C	C	.	.	S	Bend	trans	40.1	-115.5	172.4	-66.4	166.8	-7.9	0	0	114.2	S185 Y196 S245 W364 E367	Q183-S185 PolarHBondContact O-N 3.17Å; Q183-Y196 WeakPolarHBondContact CA-OH 3.46Å; Q183-Y196 HydrophobicContact CB-CE2 3.96Å; Q183-Y196 HydrophobicContact CG-CE2 4.28Å; Q183-S245 WeakPolarHBondContact O-CB 3.41Å; Q183-W364 VanDerWaalsContact NE2-CZ3 3.32Å; Q183-E367 PolarHBondContact NE2-OE1 3.37Å; Q183-E367 PolarHBondContact NE2-OE2 2.84Å
184	N	82.6	Confident	85.3	Confident	4 Å²	4	6.6 Å²	6.6	2%	0.021	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	43.6	-178.1	-61.7	0.8	0	0	0	114.5	Y182 R187 D194 H439 W965	Y182-N184 PolarHBondContact O-N 2.89Å; Y182-N184 VanDerWaalsContact O-N 3.14Å; N184-R187 PolarHBondContact O-NE 3.43Å; N184-D194 WeakPolarHBondContact CA-OD1 3.25Å; N184-D194 WeakPolarHBondContact CA-OD2 3.48Å; N184-D194 VanDerWaalsContact CB-OD2 3.31Å; N184-D194 WeakPolarHBondContact CB-OD2 3.43Å; N184-H439 VanDerWaalsContact CB-NE2 3.28Å; N184-H439 WeakPolarHBondContact CB-NE2 3.35Å; N184-H439 PolarHBondContact ND2-NE2 3Å; N184-H439 VanDerWaalsContact ND2-NE2 3.15Å; N184-W965 HydrophobicContact CB-CH2 3.94Å; N184-W965 HydrophobicContact CB-CZ3 4.26Å; N184-W965 WeakPolarHBondContact O-CZ3 3.41Å
185	S	85.5	Confident	85.4	Confident	16 Å²	16	5.8 Å²	5.8	11%	0.112	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-12.7	-179.5	-68.5	0	0	0	0	113.3	G181 Y182 Q183 R187 F188	G181-S185 WeakPolarHBondContact CA-OG 3.45Å; Y182-S185 PolarHBondContact N-OG 2.86Å; Y182-S185 VanDerWaalsContact N-OG 3.09Å; Y182-S185 WeakPolarHBondContact O-CB 3.49Å; Y182-S185 PolarHBondContact O-N 3.44Å; Y182-S185 PolarHBondContact O-OG 3.3Å; Q183-S185 PolarHBondContact O-N 3.17Å; S185-R187 PolarHBondContact O-N 3.36Å; S185-F188 WeakPolarHBondContact O-CB 3.38Å; S185-F188 PolarHBondContact O-N 3.19Å
186	T	90.1	Very high	85.1	Confident	7 Å²	7	6.7 Å²	6.7	4%	0.043	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-61.6	-30.2	-176.6	-51.6	0	0	0	0	112.1	F188 W189 F190 A244 S245	T186-F188 PolarHBondContact O-N 2.94Å; T186-F188 VanDerWaalsContact O-N 3.12Å; T186-W189 HydrophobicContact CG2-CE3 4.38Å; T186-W189 PolarHBondContact O-N 3.22Å; T186-F190 HydrophobicContact CG2-CD1 3.94Å; T186-F190 HydrophobicContact CG2-CE1 3.34Å; T186-F190 HydrophobicContact CG2-CZ 3.71Å; T186-F190 PolarHBondContact O-N 3.31Å; T186-A244 WeakPolarHBondContact CG2-O 3.26Å; T186-A244 PolarHBondContact OG1-O 2.93Å; T186-S245 WeakPolarHBondContact OG1-CA 3.41Å
187	R	89.1	Confident	84.7	Confident	2 Å²	2	7.4 Å²	7.4	1%	0.008	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-56.2	-24.8	172.2	73.6	-178	68.1	-136	-6	114.6	N66 S67 K68 E125 N184 S185 D194	N66-R187 HydrophobicContact CB-CB 4Å; N66-R187 PolarHBondContact ND2-NH1 2.87Å; S67-R187 CarbonylContact C-O 3.38Å; S67-R187 WeakPolarHBondContact CA-O 3.14Å; K68-R187 HydrophobicContact CG-CG 4.39Å; K68-R187 PolarHBondContact N-O 3.33Å; E125-R187 IonicContact OE1-CZ 3.52Å; E125-R187 IonicContact OE1-NH1 2.61Å; E125-R187 PolarHBondContact OE1-NH1 2.85Å; E125-R187 IonicContact OE2-NH1 3.24Å; E125-R187 PolarHBondContact OE2-NH1 3.49Å; N184-R187 PolarHBondContact O-NE 3.43Å; S185-R187 PolarHBondContact O-N 3.36Å; R187-D194 HydrophobicContact CB-CB 4.21Å; R187-D194 IonicContact CZ-OD2 2.88Å; R187-D194 IonicContact NE-OD2 3.12Å; R187-D194 PolarHBondContact NE-OD2 3.47Å; R187-D194 PolarHBondContact NH2-O 3.45Å; R187-D194 IonicContact NH2-OD2 3.17Å; R187-D194 PolarHBondContact NH2-OD2 3.23Å
188	F	89.4	Confident	84.4	Confident	9 Å²	9	7.5 Å²	7.5	4%	0.039	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-84.7	-11.4	177.4	-66.3	-75.1	0	0	0	112.6	K68 Q69 S185 T186 W965	K68-F188 HydrophobicContact CB-CD1 3.59Å; K68-F188 HydrophobicContact CB-CE1 3.69Å; K68-F188 HydrophobicContact CB-CG 4.45Å; K68-F188 HydrophobicContact CD-CD1 4.33Å; K68-F188 HydrophobicContact CD-CE1 3.61Å; K68-F188 HydrophobicContact CD-CZ 3.89Å; K68-F188 HydrophobicContact CG-CE1 4.26Å; Q69-F188 HydrophobicContact CG-CD1 4.28Å; Q69-F188 PolarHBondContact NE2-O 2.92Å; S185-F188 WeakPolarHBondContact O-CB 3.38Å; S185-F188 PolarHBondContact O-N 3.19Å; T186-F188 PolarHBondContact O-N 2.94Å; T186-F188 VanDerWaalsContact O-N 3.12Å; F188-W965 HydrophobicContact CE2-CE3 4.5Å; F188-W965 HydrophobicContact CE2-CZ3 4.35Å
189	W	88.2	Confident	84.2	Confident	4 Å²	4	7.9 Å²	7.9	2%	0.015	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-47.3	-179.4	174	25.6	0	0	0	112.4	I35 F150 L152 L159 T186 F206 I247 L249	I35-W189 HydrophobicContact CD1-CZ2 4.02Å; F150-W189 WeakPolarHBondContact CE2-O 3.28Å; L152-W189 WeakPolarHBondContact CD1-O 3.35Å; L159-W189 HydrophobicContact CD2-CD2 4.34Å; L159-W189 HydrophobicContact CD2-CG 3.97Å; L159-W189 HydrophobicContact CG-CB 4.46Å; L159-W189 HydrophobicContact CG-CG 4.17Å; T186-W189 HydrophobicContact CG2-CE3 4.38Å; T186-W189 PolarHBondContact O-N 3.22Å; W189-F206 HydrophobicContact CH2-CZ 4.45Å; W189-F206 HydrophobicContact CZ2-CE1 4.09Å; W189-F206 HydrophobicContact CZ2-CZ 4.37Å; W189-I247 HydrophobicContact CH2-CG2 4.07Å; W189-I247 HydrophobicContact CZ3-CB 4.45Å; W189-I247 HydrophobicContact CZ3-CG2 3.88Å; W189-L249 HydrophobicContact CH2-CB 3.88Å; W189-L249 HydrophobicContact CZ2-CB 3.88Å; W189-L249 HydrophobicContact CZ2-CD2 3.92Å
190	F	91.8	Very high	84.2	Confident	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.041	C	C	.	.	S	Bend	trans	-151.1	161.3	174.4	67.5	-86.3	0	0	0	112.7	V33 V49 F150 T186 C192	V33-F190 HydrophobicContact CG2-CD2 4.13Å; V33-F190 HydrophobicContact CG2-CE1 4.22Å; V33-F190 HydrophobicContact CG2-CE2 3.64Å; V33-F190 HydrophobicContact CG2-CZ 3.7Å; V49-F190 HydrophobicContact CB-CD2 4.31Å; V49-F190 HydrophobicContact CG2-CD2 4.05Å; V49-F190 HydrophobicContact CG2-CE2 4.19Å; F150-F190 HydrophobicContact CE1-CB 3.94Å; F150-F190 HydrophobicContact CE2-CB 3.75Å; F150-F190 HydrophobicContact CZ-CB 3.38Å; T186-F190 HydrophobicContact CG2-CD1 3.94Å; T186-F190 HydrophobicContact CG2-CE1 3.34Å; T186-F190 HydrophobicContact CG2-CZ 3.71Å; T186-F190 PolarHBondContact O-N 3.31Å; F190-C192 HydrophobicContact CD2-CB 3.92Å; F190-C192 HydrophobicContact CE2-CB 3.56Å; F190-C192 HydrophobicContact CZ-CB 4.22Å; F190-C192 PolarHBondContact O-N 2.93Å
191	P	93.1	Very high	85.2	Confident	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.042	C	C	.	.	S	Bend	trans	-70	112.6	177.2	-18.6	33.4	0	0	0	111.9	N66 I72 L126 I148 F150	N66-P191 WeakPolarHBondContact O-CA 3.5Å; I72-P191 HydrophobicContact CD1-CB 4.49Å; I72-P191 HydrophobicContact CD1-CG 3.53Å; L126-P191 HydrophobicContact CD2-CB 4.16Å; I148-P191 HydrophobicContact CD1-CB 4.14Å; I148-P191 HydrophobicContact CG2-CG 4.14Å; F150-P191 HydrophobicContact CB-CG 4.37Å; F150-P191 HydrophobicContact CD1-CG 4.44Å; F150-P191 HydrophobicContact CG-CG 4.37Å
192	C	90.9	Very high	86.5	Confident	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.039	C	C	.	.	B	Isolated β-bridge	trans	-145.6	172.8	-176.7	69.4	0	0	0	0	111.4	N66 F190 D194	N66-C192 WeakPolarHBondContact CA-O 3.47Å; N66-C192 WeakPolarHBondContact CB-O 3.33Å; N66-C192 PolarHBondContact N-O 2.94Å; N66-C192 PolarHBondContact O-N 3.44Å; N66-C192 VanDerWaalsContact O-O 3.08Å; F190-C192 HydrophobicContact CD2-CB 3.92Å; F190-C192 HydrophobicContact CE2-CB 3.56Å; F190-C192 HydrophobicContact CZ-CB 4.22Å; F190-C192 PolarHBondContact O-N 2.93Å; C192-D194 PolarHBondContact O-N 3.13Å
193	V	89.3	Confident	88	Confident	2 Å²	2	9.3 Å²	9.3	1%	0.012	5%	0.047	C	C	.	.			trans	-90	101.2	164.2	-178.6	0	0	0	0	107.5	R24 Y26 L28 L65 S195 E198	R24-V193 VanDerWaalsContact NH1-CG1 3.26Å; Y26-V193 HydrophobicContact CE2-CG2 4.24Å; Y26-V193 WeakPolarHBondContact OH-CG2 3.5Å; L28-V193 HydrophobicContact CD1-CB 3.87Å; L28-V193 HydrophobicContact CD1-CG2 3.72Å; L65-V193 HydrophobicContact CD2-CG2 3.76Å; V193-S195 VanDerWaalsContact C-N 3.28Å; V193-S195 PolarHBondContact O-N 3.4Å; V193-E198 HydrophobicContact CB-CG 4.44Å; V193-E198 HydrophobicContact CG1-CG 3.76Å
194	D	86.6	Confident	89	Confident	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.044	C	C	.	.			trans	-89.8	62.2	-169.2	-177.7	42.4	0	0	0	111.2	N66 P119 N184 R187 C192 S245	N66-D194 HydrophobicContact CB-CB 4Å; N66-D194 PolarHBondContact OD1-N 2.64Å; P119-D194 WeakPolarHBondContact CG-O 3.33Å; N184-D194 WeakPolarHBondContact CA-OD1 3.25Å; N184-D194 WeakPolarHBondContact CA-OD2 3.48Å; N184-D194 VanDerWaalsContact CB-OD2 3.31Å; N184-D194 WeakPolarHBondContact CB-OD2 3.43Å; R187-D194 HydrophobicContact CB-CB 4.21Å; R187-D194 IonicContact CZ-OD2 2.88Å; R187-D194 IonicContact NE-OD2 3.12Å; R187-D194 PolarHBondContact NE-OD2 3.47Å; R187-D194 PolarHBondContact NH2-O 3.45Å; R187-D194 IonicContact NH2-OD2 3.17Å; R187-D194 PolarHBondContact NH2-OD2 3.23Å; C192-D194 PolarHBondContact O-N 3.13Å; D194-S245 PolarHBondContact OD1-OG 3.29Å
195	S	85.6	Confident	89.6	Confident	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.051	C	C	.	.			trans	-125.1	144.8	179.3	172.8	0	0	0	0	110.9	D120 V193 S197	D120-S195 VanDerWaalsContact OD1-CB 3.3Å; D120-S195 WeakPolarHBondContact OD1-CB 3.34Å; D120-S195 PolarHBondContact OD1-OG 3Å; V193-S195 VanDerWaalsContact C-N 3.28Å; V193-S195 PolarHBondContact O-N 3.4Å; S195-S197 PolarHBondContact O-N 3.23Å; S195-S197 PolarHBondContact OG-N 2.92Å; S195-S197 PolarHBondContact OG-OG 2.82Å
196	Y	81.9	Confident	90	Very high	19 Å²	19	9.4 Å²	9.4	8%	0.075	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-15	174.8	-86.6	-95.9	0	0	0	114.1	Q183 A243 S245 S360 R361	Q183-Y196 WeakPolarHBondContact CA-OH 3.46Å; Q183-Y196 HydrophobicContact CB-CE2 3.96Å; Q183-Y196 HydrophobicContact CG-CE2 4.28Å; Y196-A243 HydrophobicContact CD1-CB 4.37Å; Y196-S245 WeakPolarHBondContact CE2-OG 3.24Å; Y196-S245 VanDerWaalsContact CZ-CB 3.47Å; Y196-S245 WeakPolarHBondContact OH-CB 3.15Å; Y196-S360 PolarHBondContact O-OG 3.31Å; Y196-R361 HydrophobicContact CD1-CG 4.29Å; Y196-R361 HydrophobicContact CG-CG 4.19Å
197	S	84.1	Confident	90.2	Very high	19 Å²	19	9.7 Å²	9.7	13%	0.133	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-20.1	-179.6	66.9	0	0	0	0	114.2	R24 S195 L199	R24-S197 PolarHBondContact NH2-OG 2.79Å; S195-S197 PolarHBondContact O-N 3.23Å; S195-S197 PolarHBondContact OG-N 2.92Å; S195-S197 PolarHBondContact OG-OG 2.82Å; S197-L199 PolarHBondContact O-N 2.75Å
198	E	85.8	Confident	90.3	Very high	8 Å²	8	9.9 Å²	9.9	4%	0.037	5%	0.049	C	C	.	.			trans	-89.4	103.3	-179.9	-64.9	-59.2	140.3	0	0	111	R24 V193	R24-E198 IonicContact CZ-OE1 3.33Å; R24-E198 VanDerWaalsContact NE-CD 3.27Å; R24-E198 IonicContact NE-OE1 2.69Å; R24-E198 PolarHBondContact NE-OE1 3.44Å; R24-E198 VanDerWaalsContact NH2-CG 3.3Å; R24-E198 IonicContact NH2-OE1 2.64Å; R24-E198 PolarHBondContact NH2-OE1 2.87Å; V193-E198 HydrophobicContact CB-CG 4.44Å; V193-E198 HydrophobicContact CG1-CG 3.76Å
199	L	88	Confident	90.3	Very high	13 Å²	13	13.6 Å²	13.6	7%	0.068	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	115.8	179.4	-58.8	176.7	0	0	0	110.8	S197 P241 T242 W493 M496 L497	S197-L199 PolarHBondContact O-N 2.75Å; L199-P241 HydrophobicContact CB-CB 4.26Å; L199-T242 CarbonylContact C-O 3.59Å; L199-T242 VanDerWaalsContact CA-O 3.3Å; L199-T242 WeakPolarHBondContact CA-O 3.27Å; L199-W493 HydrophobicContact CB-CB 4.45Å; L199-W493 HydrophobicContact CD1-CB 4.14Å; L199-W493 WeakPolarHBondContact CD1-O 3.34Å; L199-M496 HydrophobicContact CD1-CB 3.92Å; L199-M496 HydrophobicContact CD1-SD 4.32Å; L199-L497 HydrophobicContact CD1-CD2 3.84Å; L199-L497 HydrophobicContact CD1-CG 4.09Å; L199-L497 HydrophobicContact CD2-CD2 4.12Å; L199-L497 HydrophobicContact CG-CD2 4.01Å
200	C	89.1	Confident	90.3	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.007	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	156.2	-176.9	-63.5	0	0	0	0	111.3	L28 Q31 W202 P241 T242	L28-C200 WeakPolarHBondContact CB-SG 3.36Å; Q31-C200 PolarHBondContact NE2-SG 2.93Å; C200-W202 HydrophobicContact CB-CH2 4.31Å; C200-W202 HydrophobicContact CB-CZ2 3.88Å; C200-W202 VanDerWaalsContact O-CE3 3.28Å; C200-W202 WeakPolarHBondContact O-CH2 3.23Å; C200-W202 WeakPolarHBondContact O-CZ3 3.49Å; C200-P241 VanDerWaalsContact O-CA 3.23Å; C200-P241 WeakPolarHBondContact O-CA 3.44Å; C200-T242 PolarHBondContact N-O 2.95Å; C200-T242 PolarHBondContact O-N 2.86Å
201	T	92.1	Very high	90.1	Very high	12 Å²	12	17.4 Å²	17.4	7%	0.074	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	156.4	161.8	60.6	0	0	0	0	109.9	T29 H30 Q31 T239 P241 W493	T29-T201 PolarHBondContact O-N 3.15Å; T29-T201 PolarHBondContact O-OG1 2.97Å; H30-T201 WeakPolarHBondContact CA-O 3.15Å; H30-T201 PolarHBondContact ND1-O 2.97Å; H30-T201 PolarHBondContact ND1-OG1 2.97Å; Q31-T201 PolarHBondContact N-O 3.03Å; T201-T239 VanDerWaalsContact CG2-O 3.31Å; T201-T239 WeakPolarHBondContact CG2-O 3.07Å; T201-P241 HydrophobicContact CG2-CB 4.3Å; T201-W493 HydrophobicContact CG2-CH2 4.11Å; T201-W493 HydrophobicContact CG2-CZ2 4.46Å
202	W	93.6	Very high	89.9	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.3	-178.6	-60.5	-98.3	0	0	0	114.9	Q31 C200 L204 L238 T242 A243 I247	Q31-W202 VanDerWaalsContact O-CA 3.26Å; Q31-W202 WeakPolarHBondContact O-CA 3.45Å; C200-W202 HydrophobicContact CB-CH2 4.31Å; C200-W202 HydrophobicContact CB-CZ2 3.88Å; C200-W202 VanDerWaalsContact O-CE3 3.28Å; C200-W202 WeakPolarHBondContact O-CH2 3.23Å; C200-W202 WeakPolarHBondContact O-CZ3 3.49Å; W202-L204 HydrophobicContact CB-CD2 3.9Å; W202-L204 HydrophobicContact CB-CG 3.98Å; W202-L204 HydrophobicContact CG-CD2 4.27Å; W202-L238 HydrophobicContact CB-CB 4.47Å; W202-L238 HydrophobicContact CE3-CB 4.09Å; W202-L238 HydrophobicContact CE3-CD2 3.63Å; W202-L238 HydrophobicContact CE3-CG 3.9Å; W202-L238 HydrophobicContact CZ3-CD2 3.63Å; W202-L238 HydrophobicContact CZ3-CG 4.17Å; W202-L238 PolarHBondContact N-O 3.12Å; W202-L238 PolarHBondContact O-N 3.24Å; W202-T242 WeakPolarHBondContact CH2-O 3.47Å; W202-T242 VanDerWaalsContact CH2-OG1 3.26Å; W202-T242 WeakPolarHBondContact CH2-OG1 3.32Å; W202-T242 VanDerWaalsContact CZ3-OG1 3.28Å; W202-T242 WeakPolarHBondContact CZ3-OG1 3.43Å; W202-A243 WeakPolarHBondContact CH2-O 3.36Å; W202-I247 HydrophobicContact CD2-CD1 3.83Å; W202-I247 HydrophobicContact CD2-CG1 4.11Å; W202-I247 HydrophobicContact CE3-CD1 3.76Å; W202-I247 HydrophobicContact CE3-CG1 4.45Å; W202-I247 HydrophobicContact CH2-CD1 3.66Å; W202-I247 HydrophobicContact CH2-CG1 3.85Å; W202-I247 HydrophobicContact CZ2-CD1 3.86Å; W202-I247 HydrophobicContact CZ2-CG1 3.58Å; W202-I247 HydrophobicContact CZ3-CD1 3.66Å; W202-I247 HydrophobicContact CZ3-CG1 4.33Å
203	K	96	Very high	90.1	Very high	64 Å²	64	18.8 Å²	18.8	28%	0.278	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	129	151.6	-172.5	-164.4	-176.4	-144.2	0	107.7	Q31 V32 V33 E205	Q31-K203 PolarHBondContact O-N 3.31Å; V32-K203 CarbonylContact C-O 3.45Å; V32-K203 VanDerWaalsContact CA-O 3.29Å; V32-K203 WeakPolarHBondContact CA-O 3.3Å; V32-K203 HydrophobicContact CG1-CB 4.21Å; V32-K203 HydrophobicContact CG1-CD 4.15Å; V32-K203 HydrophobicContact CG1-CG 4.49Å; V32-K203 HydrophobicContact CG2-CB 4.26Å; V33-K203 PolarHBondContact N-O 3.07Å; K203-E205 IonicContact NZ-OE2 2.65Å; K203-E205 PolarHBondContact NZ-OE2 2.85Å
204	L	95.4	Very high	90.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.3	-178	-56	175.3	0	0	0	108.8	V33 W202 F206 S216 Y236 I247	V33-L204 HydrophobicContact CB-CD2 3.81Å; V33-L204 HydrophobicContact CG2-CD2 3.94Å; V33-L204 WeakPolarHBondContact O-CA 3.49Å; W202-L204 HydrophobicContact CB-CD2 3.9Å; W202-L204 HydrophobicContact CB-CG 3.98Å; W202-L204 HydrophobicContact CG-CD2 4.27Å; L204-F206 HydrophobicContact CB-CE2 3.62Å; L204-F206 HydrophobicContact CB-CZ 3.71Å; L204-F206 HydrophobicContact CD1-CE2 4.49Å; L204-F206 HydrophobicContact CD1-CZ 4.42Å; L204-F206 HydrophobicContact CG-CZ 4.45Å; L204-S216 WeakPolarHBondContact CD1-OG 3.43Å; L204-Y236 PolarHBondContact N-O 3.46Å; L204-Y236 PolarHBondContact O-N 3.1Å; L204-I247 HydrophobicContact CD1-CG2 3.96Å; L204-I247 HydrophobicContact CD2-CG2 4.41Å
205	E	95.7	Very high	90.7	Very high	37 Å²	37	18.7 Å²	18.7	17%	0.173	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	117	-170.5	-174.6	166.9	142.3	0	0	110.4	V33 C34 I35 K203 T233 F234 H235	V33-E205 PolarHBondContact O-N 2.91Å; C34-E205 CarbonylContact C-O 3.49Å; C34-E205 WeakPolarHBondContact CA-O 3.35Å; C34-E205 HydrophobicContact CB-CB 4.05Å; C34-E205 HydrophobicContact CB-CG 4.49Å; I35-E205 PolarHBondContact N-O 3.37Å; K203-E205 IonicContact NZ-OE2 2.65Å; K203-E205 PolarHBondContact NZ-OE2 2.85Å; E205-T233 HydrophobicContact CG-CG2 3.68Å; E205-F234 WeakPolarHBondContact CA-O 3.42Å; E205-H235 WeakPolarHBondContact CG-ND1 3.45Å; E205-H235 IonicContact OE1-CE1 3.03Å; E205-H235 IonicContact OE2-CE1 3.42Å; E205-H235 PolarHBondContact OE2-CE1 3.43Å; E205-H235 IonicContact OE2-ND1 2.66Å; E205-H235 PolarHBondContact OE2-ND1 3.26Å
206	F	95	Very high	91.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	109.9	-170.5	-55.1	-61.7	0	0	0	111.3	I35 W189 L204 A214 S216 T233 F234 Y236 L249	I35-F206 HydrophobicContact CB-CD1 4.1Å; I35-F206 HydrophobicContact CD1-CD1 3.86Å; I35-F206 HydrophobicContact CD1-CE1 3.75Å; I35-F206 HydrophobicContact CG1-CD1 3.97Å; I35-F206 HydrophobicContact CG1-CE1 4.06Å; W189-F206 HydrophobicContact CH2-CZ 4.45Å; W189-F206 HydrophobicContact CZ2-CE1 4.09Å; W189-F206 HydrophobicContact CZ2-CZ 4.37Å; L204-F206 HydrophobicContact CB-CE2 3.62Å; L204-F206 HydrophobicContact CB-CZ 3.71Å; L204-F206 HydrophobicContact CD1-CE2 4.49Å; L204-F206 HydrophobicContact CD1-CZ 4.42Å; L204-F206 HydrophobicContact CG-CZ 4.45Å; F206-A214 HydrophobicContact CB-CB 4.01Å; F206-S216 VanDerWaalsContact CE2-CB 3.46Å; F206-T233 WeakPolarHBondContact O-CA 3.26Å; F206-F234 PolarHBondContact N-O 2.83Å; F206-F234 PolarHBondContact O-N 2.85Å; F206-Y236 HydrophobicContact CD2-CD2 4.08Å; F206-Y236 HydrophobicContact CE2-CD2 4.22Å; F206-L249 HydrophobicContact CD1-CD1 3.99Å; F206-L249 HydrophobicContact CD1-CD2 3.84Å; F206-L249 HydrophobicContact CD2-CD1 3.76Å; F206-L249 HydrophobicContact CE1-CD1 4Å; F206-L249 HydrophobicContact CE1-CD2 3.76Å; F206-L249 HydrophobicContact CE1-CG 4.41Å; F206-L249 HydrophobicContact CE2-CD1 3.76Å; F206-L249 HydrophobicContact CG-CD1 3.87Å; F206-L249 HydrophobicContact CG-CD2 4.49Å; F206-L249 HydrophobicContact CZ-CD1 3.87Å; F206-L249 HydrophobicContact CZ-CD2 4.34Å
207	T	93.7	Very high	91.5	Very high	14 Å²	14	17.8 Å²	17.8	9%	0.086	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	108.6	177.5	-61.2	0	0	0	0	110.3	I35 T226 K231 K232 T233	I35-T207 WeakPolarHBondContact O-CB 3.11Å; I35-T207 PolarHBondContact O-N 3.06Å; T207-T226 HydrophobicContact CG2-CG2 3.96Å; T207-K231 HydrophobicContact CG2-CB 4.21Å; T207-K231 HydrophobicContact CG2-CD 3.86Å; T207-K232 CarbonylContact C-O 3.5Å; T207-K232 WeakPolarHBondContact CA-O 3.49Å; T207-T233 WeakPolarHBondContact OG1-CG2 3.33Å; T207-T233 PolarHBondContact OG1-OG1 3.22Å
208	V	91.6	Very high	91.9	Very high	6 Å²	6	17 Å²	17	4%	0.036	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	165.9	-172.7	-59.1	0	0	0	0	111.9	I38 M212 A214 K231 K232 F234 I251	I38-V208 HydrophobicContact CD1-CG1 4.36Å; V208-M212 HydrophobicContact CG2-CB 4.47Å; V208-A214 HydrophobicContact CG1-CB 4.15Å; V208-A214 HydrophobicContact CG2-CB 4.35Å; V208-K231 CarbonylContact O-C 3.59Å; V208-K231 WeakPolarHBondContact O-CA 3.48Å; V208-K231 WeakPolarHBondContact O-CB 3.23Å; V208-K232 PolarHBondContact N-O 2.92Å; V208-K232 PolarHBondContact O-N 3.46Å; V208-F234 HydrophobicContact CG2-CD2 3.82Å; V208-F234 HydrophobicContact CG2-CE2 3.53Å; V208-I251 HydrophobicContact CB-CG2 4.3Å; V208-I251 HydrophobicContact CG1-CD1 3.7Å; V208-I251 HydrophobicContact CG1-CG1 4.11Å; V208-I251 HydrophobicContact CG1-CG2 3.89Å
209	D	89.6	Confident	92.2	Very high	86 Å²	86	19.2 Å²	19.2	46%	0.46	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	140.9	172.7	-164.7	-44.3	0	0	0	110.9	A211 M212	D209-A211 PolarHBondContact O-N 3.3Å; D209-A211 VanDerWaalsContact O-N 3.15Å; D209-A211 PolarHBondContact OD1-N 3.22Å; D209-M212 HydrophobicContact CB-CG 4.05Å; D209-M212 PolarHBondContact O-N 3.14Å
210	A	87.8	Confident	92.4	Very high	24 Å²	24	22.7 Å²	22.7	20%	0.198	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.3	-177.4	0	0	0	0	0	113.9	M212 Y225 R230 K232	A210-M212 VanDerWaalsContact C-N 3.33Å; A210-Y225 HydrophobicContact CB-CE1 4.37Å; A210-R230 WeakPolarHBondContact CB-O 3.25Å; A210-R230 PolarHBondContact N-O 2.89Å; A210-R230 VanDerWaalsContact N-O 3.15Å; A210-K232 HydrophobicContact CB-CG 4.33Å; A210-K232 VanDerWaalsContact O-CE 3.3Å; A210-K232 WeakPolarHBondContact O-CE 3.35Å; A210-K232 PolarHBondContact O-NZ 3.03Å
211	A	87.4	Confident	92.6	Very high	61 Å²	61	26.5 Å²	26.5	50%	0.504	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-11.5	172.7	0	0	0	0	0	114.2	A171 D209	A171-A211 HydrophobicContact CB-CB 4.05Å; D209-A211 PolarHBondContact O-N 3.3Å; D209-A211 VanDerWaalsContact O-N 3.15Å; D209-A211 PolarHBondContact OD1-N 3.22Å
212	M	89.7	Confident	92.6	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	18%	0.177	C	C	.	.			trans	-104.3	150.9	-177.7	-60	-63.7	-172.1	0	0	111.5	F40 M170 A171 A175 V208 D209 A210 I251 P253	F40-M212 HydrophobicContact CE2-CE 4.47Å; M170-M212 HydrophobicContact CB-CE 4.16Å; A171-M212 HydrophobicContact CB-CE 4.23Å; A175-M212 WeakPolarHBondContact O-CE 3.2Å; V208-M212 HydrophobicContact CG2-CB 4.47Å; D209-M212 HydrophobicContact CB-CG 4.05Å; D209-M212 PolarHBondContact O-N 3.14Å; A210-M212 VanDerWaalsContact C-N 3.33Å; M212-I251 HydrophobicContact CB-CG2 3.99Å; M212-P253 HydrophobicContact SD-CB 4.02Å; M212-P253 VanDerWaalsContact SD-CD 3.6Å; M212-P253 HydrophobicContact SD-CG 4.3Å
213	V	93.4	Very high	92.6	Very high	26 Å²	26	34.2 Å²	34.2	16%	0.158	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.5	170.9	-178.8	0	0	0	0	108.2	V215 F234 I251 G252 F254 F268	V213-V215 HydrophobicContact CG1-CG2 4.09Å; V213-F234 HydrophobicContact CG1-CE1 4.42Å; V213-F234 HydrophobicContact CG1-CZ 4.38Å; V213-I251 WeakPolarHBondContact O-CA 3.3Å; V213-G252 PolarHBondContact N-O 3.41Å; V213-G252 PolarHBondContact O-N 3.42Å; V213-F254 HydrophobicContact CB-CB 4.4Å; V213-F254 HydrophobicContact CB-CD2 4.39Å; V213-F268 HydrophobicContact CG1-CE1 4.2Å
214	A	93.9	Very high	92.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	133.2	167.5	0	0	0	0	0	109.4	F206 V208 F234 Y236 I251	F206-A214 HydrophobicContact CB-CB 4.01Å; V208-A214 HydrophobicContact CG1-CB 4.15Å; V208-A214 HydrophobicContact CG2-CB 4.35Å; A214-F234 HydrophobicContact CB-CB 4.33Å; A214-F234 HydrophobicContact CB-CD2 3.72Å; A214-F234 HydrophobicContact CB-CE2 4.21Å; A214-F234 HydrophobicContact CB-CG 4.05Å; A214-Y236 PolarHBondContact O-OH 3.3Å; A214-I251 HydrophobicContact CB-CG1 3.82Å
215	V	94.8	Very high	92.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.2	177.7	-162.2	0	0	0	0	108.7	V213 A250 F254 F268 K305 V307 M322	V213-V215 HydrophobicContact CG1-CG2 4.09Å; V215-A250 PolarHBondContact N-O 2.96Å; V215-A250 PolarHBondContact O-N 2.92Å; V215-F254 HydrophobicContact CG2-CD2 3.88Å; V215-F254 HydrophobicContact CG2-CE2 4.16Å; V215-F268 HydrophobicContact CG1-CD2 3.83Å; V215-F268 HydrophobicContact CG1-CE1 4.43Å; V215-F268 HydrophobicContact CG1-CE2 3.6Å; V215-F268 HydrophobicContact CG1-CG 4.36Å; V215-F268 HydrophobicContact CG1-CZ 3.93Å; V215-F268 HydrophobicContact CG2-CB 4.49Å; V215-F268 HydrophobicContact CG2-CD1 3.63Å; V215-F268 HydrophobicContact CG2-CD2 4.16Å; V215-F268 HydrophobicContact CG2-CE1 3.77Å; V215-F268 HydrophobicContact CG2-CE2 4.3Å; V215-F268 HydrophobicContact CG2-CG 3.84Å; V215-F268 HydrophobicContact CG2-CZ 4.12Å; V215-K305 HydrophobicContact CG1-CB 4.48Å; V215-K305 HydrophobicContact CG1-CD 3.9Å; V215-V307 HydrophobicContact CB-CG2 4.22Å; V215-V307 HydrophobicContact CG1-CG2 4.01Å; V215-M322 HydrophobicContact CB-SD 4.22Å; V215-M322 HydrophobicContact CG1-SD 3.65Å
216	S	93.9	Very high	91.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	-178.8	-179.5	-166.1	0	0	0	0	111.2	L204 F206 S248 K305	L204-S216 WeakPolarHBondContact CD1-OG 3.43Å; F206-S216 VanDerWaalsContact CE2-CB 3.46Å; S216-S248 WeakPolarHBondContact CB-O 3.29Å; S216-S248 PolarHBondContact OG-O 3Å; S216-K305 PolarHBondContact O-NZ 2.94Å
217	N	92.1	Very high	91	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-76.5	151.6	-173.7	-39.4	87.5	0	0	0	111.9	L238 N246 I247 S248 A320 S321	N217-L238 HydrophobicContact CB-CD2 3.96Å; N217-N246 PolarHBondContact ND2-O 3.46Å; N217-I247 HydrophobicContact CB-CD1 4.22Å; N217-I247 WeakPolarHBondContact OD1-CA 3.13Å; N217-I247 WeakPolarHBondContact OD1-CG2 3.17Å; N217-S248 PolarHBondContact ND2-OG 3.21Å; N217-S248 VanDerWaalsContact ND2-OG 3.1Å; N217-S248 PolarHBondContact OD1-N 2.94Å; N217-S248 PolarHBondContact OD1-O 2.9Å; N217-A320 VanDerWaalsContact CB-O 3.3Å; N217-A320 WeakPolarHBondContact CB-O 3.43Å; N217-A320 PolarHBondContact ND2-O 2.94Å; N217-S321 WeakPolarHBondContact CA-OG 3.43Å
218	G	90.4	Very high	90.4	Very high	2 Å²	2	51.3 Å²	51.3	2%	0.021	28%	0.277	C	S	.	.	S	Bend	trans	82.3	-178.5	-178.4	0	0	0	0	0	114	M237 K305 S321	G218-M237 CarbonylContact C-O 3.57Å; G218-M237 WeakPolarHBondContact CA-O 3.49Å; G218-K305 PolarHBondContact O-NZ 3.11Å; G218-S321 PolarHBondContact N-OG 3.26Å
219	D	92.3	Very high	89.9	Confident	56 Å²	56	56.7 Å²	56.7	30%	0.299	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	140.6	-174.8	-64.6	-60.3	0	0	0	112.1	V221 Y236 M237 S302	D219-V221 HydrophobicContact CB-CG1 4.43Å; D219-V221 PolarHBondContact O-N 2.78Å; D219-Y236 CarbonylContact O-C 3.54Å; D219-Y236 WeakPolarHBondContact O-CA 3.37Å; D219-Y236 WeakPolarHBondContact O-CD1 3.35Å; D219-M237 PolarHBondContact N-O 3.35Å; D219-M237 PolarHBondContact O-N 3.24Å; D219-S302 VanDerWaalsContact CG-OG 3.23Å; D219-S302 VanDerWaalsContact OD1-CB 3.22Å; D219-S302 WeakPolarHBondContact OD1-CB 3.4Å; D219-S302 PolarHBondContact OD1-OG 3.24Å; D219-S302 PolarHBondContact OD2-OG 2.94Å
220	L	92.9	Very high	89.8	Confident	86 Å²	86	61.8 Å²	61.8	45%	0.45	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	100.6	167.3	-176.6	60.5	0	0	0	108	F234 Y236	L220-F234 HydrophobicContact CD1-CB 4.48Å; L220-F234 HydrophobicContact CD1-CD1 4.09Å; L220-Y236 HydrophobicContact CB-CD1 4.09Å; L220-Y236 HydrophobicContact CB-CE1 3.63Å; L220-Y236 HydrophobicContact CD1-CD1 4.15Å; L220-Y236 HydrophobicContact CD1-CE1 3.74Å; L220-Y236 HydrophobicContact CD1-CE2 4.21Å; L220-Y236 HydrophobicContact CG-CE1 4.23Å
221	V	92.9	Very high	89.9	Confident	81 Å²	81	63.6 Å²	63.6	49%	0.491	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-33.8	-178.1	-61.2	0	0	0	0	112.1	D219 H235 M237	D219-V221 HydrophobicContact CB-CG1 4.43Å; D219-V221 PolarHBondContact O-N 2.78Å; V221-H235 HydrophobicContact CG2-CB 3.83Å; V221-H235 WeakPolarHBondContact CG2-O 3.24Å; V221-H235 PolarHBondContact N-O 3.06Å; V221-M237 HydrophobicContact CG1-CB 3.77Å
222	E	92.3	Very high	90.1	Very high	116 Å²	116	62.9 Å²	62.9	54%	0.542	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	154	-179.2	-163.5	174.1	-171.1	0	0	111.3	V224 H235	E222-V224 HydrophobicContact CG-CG1 3.8Å; E222-V224 WeakPolarHBondContact OE1-CG1 3.39Å; E222-H235 HydrophobicContact CB-CB 4.35Å; E222-H235 PolarHBondContact O-N 3.36Å
223	T	92.9	Very high	90.3	Very high	57 Å²	57	63.3 Å²	63.3	35%	0.35	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	107.9	167.5	-59.4	0	0	0	0	108.7	K232 T233 F234	T223-K232 HydrophobicContact CG2-CB 4.44Å; T223-T233 WeakPolarHBondContact CA-O 2.81Å; T223-F234 HydrophobicContact CG2-CD1 3.78Å; T223-F234 HydrophobicContact CG2-CE1 3.68Å; T223-F234 HydrophobicContact CG2-CE2 4.47Å; T223-F234 HydrophobicContact CG2-CG 4.22Å; T223-F234 HydrophobicContact CG2-CZ 4.05Å; T223-F234 WeakPolarHBondContact OG1-CD1 3.35Å
224	V	93.3	Very high	90.4	Very high	46 Å²	46	62.8 Å²	62.8	28%	0.279	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	152.6	-179.1	-58.1	0	0	0	0	110.9	E222 K232 T233	E222-V224 HydrophobicContact CG-CG1 3.8Å; E222-V224 WeakPolarHBondContact OE1-CG1 3.39Å; V224-K232 CarbonylContact O-C 3.44Å; V224-K232 WeakPolarHBondContact O-CA 3.39Å; V224-T233 PolarHBondContact N-O 3.44Å; V224-T233 PolarHBondContact O-N 3Å
225	Y	91	Very high	90.5	Very high	122 Å²	122	63.8 Å²	63.8	48%	0.478	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	140.2	162.9	-74.7	-95.1	0	0	0	109.4	A210 M229 K232	A210-Y225 HydrophobicContact CB-CE1 4.37Å; Y225-M229 HydrophobicContact CD1-CE 3.86Å; Y225-M229 HydrophobicContact CD1-SD 4.34Å; Y225-M229 HydrophobicContact CD2-CE 4.23Å; Y225-M229 HydrophobicContact CE1-CE 4.35Å; Y225-M229 HydrophobicContact CG-CE 3.79Å; Y225-M229 HydrophobicContact CG-SD 4.05Å; Y225-K232 HydrophobicContact CD1-CG 4.01Å; Y225-K232 HydrophobicContact CE1-CD 4.34Å; Y225-K232 HydrophobicContact CE1-CG 3.81Å; Y225-K232 VanDerWaalsContact CZ-CE 3.45Å; Y225-K232 WeakPolarHBondContact OH-CE 3.41Å
226	T	84.1	Confident	90.5	Very high	29 Å²	29	64.2 Å²	64.2	18%	0.178	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-62.4	157	166	54.4	0	0	0	0	110.8	T207 D228 M229 K231	T207-T226 HydrophobicContact CG2-CG2 3.96Å; T226-D228 PolarHBondContact O-N 3.48Å; T226-D228 VanDerWaalsContact O-N 3.1Å; T226-M229 WeakPolarHBondContact O-CA 3.31Å; T226-M229 PolarHBondContact O-N 3.35Å; T226-K231 HydrophobicContact CG2-CB 3.78Å; T226-K231 PolarHBondContact N-O 3.41Å; T226-K231 WeakPolarHBondContact OG1-CB 3.41Å; T226-K231 PolarHBondContact OG1-N 3.25Å; T226-K231 PolarHBondContact OG1-O 3.44Å
227	H	81.4	Confident	90.6	Very high	174 Å²	174	67.7 Å²	67.7	81%	0.806	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.9	-177.7	56	-96	0	0	0	114.2	M229	H227-M229 PolarHBondContact O-N 2.76Å
228	D	80.2	Confident	90.6	Very high	103 Å²	103	67.8 Å²	67.8	55%	0.551	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-6.7	175.2	-76.5	-21	0	0	0	114.1	T226 R230	T226-D228 PolarHBondContact O-N 3.48Å; T226-D228 VanDerWaalsContact O-N 3.1Å; D228-R230 HydrophobicContact CB-CB 4.39Å; D228-R230 HydrophobicContact CB-CG 4.38Å; D228-R230 PolarHBondContact O-N 2.86Å
229	M	82.1	Confident	90.6	Very high	119 Å²	119	71.6 Å²	71.6	59%	0.586	35%	0.35	S	S	*	.	S	Bend	trans	57.6	-6.9	-168.8	-64.2	-64.2	-65.8	0	0	116.2	Y225 T226 H227 K231	Y225-M229 HydrophobicContact CD1-CE 3.86Å; Y225-M229 HydrophobicContact CD1-SD 4.34Å; Y225-M229 HydrophobicContact CD2-CE 4.23Å; Y225-M229 HydrophobicContact CE1-CE 4.35Å; Y225-M229 HydrophobicContact CG-CE 3.79Å; Y225-M229 HydrophobicContact CG-SD 4.05Å; T226-M229 WeakPolarHBondContact O-CA 3.31Å; T226-M229 PolarHBondContact O-N 3.35Å; H227-M229 PolarHBondContact O-N 2.76Å; M229-K231 PolarHBondContact O-N 2.94Å
230	R	86.2	Confident	90.5	Very high	193 Å²	193	70.4 Å²	70.4	73%	0.728	34%	0.343	S	S	*	.	S	Bend	trans	-74.9	-18.7	-178	-67.9	171.9	-172	-164.4	0.6	114.7	A210 D228	A210-R230 WeakPolarHBondContact CB-O 3.25Å; A210-R230 PolarHBondContact N-O 2.89Å; A210-R230 VanDerWaalsContact N-O 3.15Å; D228-R230 HydrophobicContact CB-CB 4.39Å; D228-R230 HydrophobicContact CB-CG 4.38Å; D228-R230 PolarHBondContact O-N 2.86Å
231	K	90	Very high	90.4	Very high	63 Å²	63	66.3 Å²	66.3	27%	0.274	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	150.1	-176.9	-67.2	-174.5	-178.7	179.4	0	111.8	N37 T207 V208 T226 M229	N37-K231 PolarHBondContact OD1-NZ 3.2Å; T207-K231 HydrophobicContact CG2-CB 4.21Å; T207-K231 HydrophobicContact CG2-CD 3.86Å; V208-K231 CarbonylContact O-C 3.59Å; V208-K231 WeakPolarHBondContact O-CA 3.48Å; V208-K231 WeakPolarHBondContact O-CB 3.23Å; T226-K231 HydrophobicContact CG2-CB 3.78Å; T226-K231 PolarHBondContact N-O 3.41Å; T226-K231 WeakPolarHBondContact OG1-CB 3.41Å; T226-K231 PolarHBondContact OG1-N 3.25Å; T226-K231 PolarHBondContact OG1-O 3.44Å; M229-K231 PolarHBondContact O-N 2.94Å
232	K	92.8	Very high	90.2	Very high	46 Å²	46	62.5 Å²	62.5	20%	0.2	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	141.5	171.4	-70.7	167.4	179.4	163.8	0	109.6	T207 V208 A210 T223 V224 Y225 F234	T207-K232 CarbonylContact C-O 3.5Å; T207-K232 WeakPolarHBondContact CA-O 3.49Å; V208-K232 PolarHBondContact N-O 2.92Å; V208-K232 PolarHBondContact O-N 3.46Å; A210-K232 HydrophobicContact CB-CG 4.33Å; A210-K232 VanDerWaalsContact O-CE 3.3Å; A210-K232 WeakPolarHBondContact O-CE 3.35Å; A210-K232 PolarHBondContact O-NZ 3.03Å; T223-K232 HydrophobicContact CG2-CB 4.44Å; V224-K232 CarbonylContact O-C 3.44Å; V224-K232 WeakPolarHBondContact O-CA 3.39Å; Y225-K232 HydrophobicContact CD1-CG 4.01Å; Y225-K232 HydrophobicContact CE1-CD 4.34Å; Y225-K232 HydrophobicContact CE1-CG 3.81Å; Y225-K232 VanDerWaalsContact CZ-CE 3.45Å; Y225-K232 WeakPolarHBondContact OH-CE 3.41Å; K232-F234 HydrophobicContact CB-CD2 4.32Å; K232-F234 HydrophobicContact CB-CE2 3.79Å; K232-F234 HydrophobicContact CB-CZ 4.4Å; K232-F234 HydrophobicContact CD-CE2 4.35Å; K232-F234 HydrophobicContact CD-CZ 4.24Å
233	T	93.8	Very high	90	Very high	11 Å²	11	57 Å²	57	7%	0.067	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	114.5	170.6	-57.2	0	0	0	0	108.2	E205 F206 T207 T223 V224	E205-T233 HydrophobicContact CG-CG2 3.68Å; F206-T233 WeakPolarHBondContact O-CA 3.26Å; T207-T233 WeakPolarHBondContact OG1-CG2 3.33Å; T207-T233 PolarHBondContact OG1-OG1 3.22Å; T223-T233 WeakPolarHBondContact CA-O 2.81Å; V224-T233 PolarHBondContact N-O 3.44Å; V224-T233 PolarHBondContact O-N 3Å
234	F	95.1	Very high	89.9	Confident	14 Å²	14	54.3 Å²	54.3	6%	0.061	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.4	177.5	-67.5	-97.1	0	0	0	109	E205 F206 V208 V213 A214 L220 T223 K232 Y236	E205-F234 WeakPolarHBondContact CA-O 3.42Å; F206-F234 PolarHBondContact N-O 2.83Å; F206-F234 PolarHBondContact O-N 2.85Å; V208-F234 HydrophobicContact CG2-CD2 3.82Å; V208-F234 HydrophobicContact CG2-CE2 3.53Å; V213-F234 HydrophobicContact CG1-CE1 4.42Å; V213-F234 HydrophobicContact CG1-CZ 4.38Å; A214-F234 HydrophobicContact CB-CB 4.33Å; A214-F234 HydrophobicContact CB-CD2 3.72Å; A214-F234 HydrophobicContact CB-CE2 4.21Å; A214-F234 HydrophobicContact CB-CG 4.05Å; L220-F234 HydrophobicContact CD1-CB 4.48Å; L220-F234 HydrophobicContact CD1-CD1 4.09Å; T223-F234 HydrophobicContact CG2-CD1 3.78Å; T223-F234 HydrophobicContact CG2-CE1 3.68Å; T223-F234 HydrophobicContact CG2-CE2 4.47Å; T223-F234 HydrophobicContact CG2-CG 4.22Å; T223-F234 HydrophobicContact CG2-CZ 4.05Å; T223-F234 WeakPolarHBondContact OG1-CD1 3.35Å; K232-F234 HydrophobicContact CB-CD2 4.32Å; K232-F234 HydrophobicContact CB-CE2 3.79Å; K232-F234 HydrophobicContact CB-CZ 4.4Å; K232-F234 HydrophobicContact CD-CE2 4.35Å; K232-F234 HydrophobicContact CD-CZ 4.24Å; F234-Y236 HydrophobicContact CB-CD2 4.35Å; F234-Y236 HydrophobicContact CB-CE2 4.03Å
235	H	95.6	Very high	89.6	Confident	22 Å²	22	52.3 Å²	52.3	10%	0.102	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	110.8	174.3	-59.7	-72.5	0	0	0	109.3	E205 V221 E222	E205-H235 WeakPolarHBondContact CG-ND1 3.45Å; E205-H235 IonicContact OE1-CE1 3.03Å; E205-H235 IonicContact OE2-CE1 3.42Å; E205-H235 PolarHBondContact OE2-CE1 3.43Å; E205-H235 IonicContact OE2-ND1 2.66Å; E205-H235 PolarHBondContact OE2-ND1 3.26Å; V221-H235 HydrophobicContact CG2-CB 3.83Å; V221-H235 WeakPolarHBondContact CG2-O 3.24Å; V221-H235 PolarHBondContact N-O 3.06Å; E222-H235 HydrophobicContact CB-CB 4.35Å; E222-H235 PolarHBondContact O-N 3.36Å
236	Y	95.8	Very high	89.6	Confident	8 Å²	8	46.7 Å²	46.7	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	144.5	173.1	-75.2	-74.5	0	0	0	110.8	L204 F206 A214 D219 L220 F234 K305	L204-Y236 PolarHBondContact N-O 3.46Å; L204-Y236 PolarHBondContact O-N 3.1Å; F206-Y236 HydrophobicContact CD2-CD2 4.08Å; F206-Y236 HydrophobicContact CE2-CD2 4.22Å; A214-Y236 PolarHBondContact O-OH 3.3Å; D219-Y236 CarbonylContact O-C 3.54Å; D219-Y236 WeakPolarHBondContact O-CA 3.37Å; D219-Y236 WeakPolarHBondContact O-CD1 3.35Å; L220-Y236 HydrophobicContact CB-CD1 4.09Å; L220-Y236 HydrophobicContact CB-CE1 3.63Å; L220-Y236 HydrophobicContact CD1-CD1 4.15Å; L220-Y236 HydrophobicContact CD1-CE1 3.74Å; L220-Y236 HydrophobicContact CD1-CE2 4.21Å; L220-Y236 HydrophobicContact CG-CE1 4.23Å; F234-Y236 HydrophobicContact CB-CD2 4.35Å; F234-Y236 HydrophobicContact CB-CE2 4.03Å; Y236-K305 VanDerWaalsContact CE1-NZ 3.26Å
237	M	94.5	Very high	89.9	Confident	73 Å²	73	45.5 Å²	45.5	36%	0.36	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	117.7	176.6	-168.4	174.8	-63.4	0	0	111.1	G218 D219 V221	G218-M237 CarbonylContact C-O 3.57Å; G218-M237 WeakPolarHBondContact CA-O 3.49Å; D219-M237 PolarHBondContact N-O 3.35Å; D219-M237 PolarHBondContact O-N 3.24Å; V221-M237 HydrophobicContact CG1-CB 3.77Å
238	L	93.5	Very high	90.5	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	91.8	174.4	-178.8	52.7	0	0	0	109.3	W202 N217 I240 I247 Y301 A320	W202-L238 HydrophobicContact CB-CB 4.47Å; W202-L238 HydrophobicContact CE3-CB 4.09Å; W202-L238 HydrophobicContact CE3-CD2 3.63Å; W202-L238 HydrophobicContact CE3-CG 3.9Å; W202-L238 HydrophobicContact CZ3-CD2 3.63Å; W202-L238 HydrophobicContact CZ3-CG 4.17Å; W202-L238 PolarHBondContact N-O 3.12Å; W202-L238 PolarHBondContact O-N 3.24Å; N217-L238 HydrophobicContact CB-CD2 3.96Å; L238-I240 VanDerWaalsContact C-N 3.35Å; L238-I240 HydrophobicContact CD1-CB 4.11Å; L238-I247 HydrophobicContact CD2-CD1 3.64Å; L238-Y301 HydrophobicContact CD1-CD1 4.31Å; L238-Y301 HydrophobicContact CD1-CE1 4.31Å; L238-A320 HydrophobicContact CD2-CB 4.02Å
239	T	90.1	Very high	91.1	Very high	81 Å²	81	32.6 Å²	32.6	50%	0.497	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	-27.9	180	-54	0	0	0	0	112.7	T201	T201-T239 VanDerWaalsContact CG2-O 3.31Å; T201-T239 WeakPolarHBondContact CG2-O 3.07Å
240	I	90.3	Very high	91.7	Very high	31 Å²	31	26.9 Å²	26.9	16%	0.159	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	124.8	178.5	-67.4	154.7	0	0	0	108.9	L238 T242 P300 Y301 F358	L238-I240 VanDerWaalsContact C-N 3.35Å; L238-I240 HydrophobicContact CD1-CB 4.11Å; I240-T242 HydrophobicContact CG2-CG2 4.15Å; I240-T242 PolarHBondContact O-N 2.88Å; I240-P300 WeakPolarHBondContact CD1-O 3.43Å; I240-Y301 HydrophobicContact CB-CD1 4.38Å; I240-Y301 HydrophobicContact CB-CE1 4.24Å; I240-Y301 HydrophobicContact CD1-CD1 3.48Å; I240-Y301 VanDerWaalsContact CD1-CD1 3.48Å; I240-Y301 HydrophobicContact CD1-CE1 4.13Å; I240-Y301 HydrophobicContact CD1-CG 4.12Å; I240-Y301 HydrophobicContact CG2-CD1 4.4Å; I240-Y301 HydrophobicContact CG2-CE1 3.9Å; I240-F358 HydrophobicContact CG2-CD2 4.24Å; I240-F358 HydrophobicContact CG2-CE2 4.31Å
241	P	89.6	Confident	92.1	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	122.9	-177.6	29	-34.6	0	0	0	111.2	L199 C200 T201 W493 M496	L199-P241 HydrophobicContact CB-CB 4.26Å; C200-P241 VanDerWaalsContact O-CA 3.23Å; C200-P241 WeakPolarHBondContact O-CA 3.44Å; T201-P241 HydrophobicContact CG2-CB 4.3Å; P241-W493 HydrophobicContact CB-CD2 3.95Å; P241-W493 HydrophobicContact CB-CE3 4.05Å; P241-W493 HydrophobicContact CB-CG 4.38Å; P241-W493 HydrophobicContact CB-CH2 4.49Å; P241-W493 HydrophobicContact CB-CZ2 4.41Å; P241-W493 HydrophobicContact CB-CZ3 4.32Å; P241-W493 HydrophobicContact CG-CD2 4.05Å; P241-W493 HydrophobicContact CG-CG 4.11Å; P241-W493 HydrophobicContact CG-CZ2 4.5Å; P241-M496 HydrophobicContact CG-CE 4.4Å; P241-M496 HydrophobicContact CG-SD 3.86Å; P241-M496 VanDerWaalsContact O-CE 3.32Å; P241-M496 WeakPolarHBondContact O-CE 3.12Å
242	T	89.2	Confident	92.2	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.006	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	-174.9	175.3	84.3	0	0	0	0	110.9	L199 C200 W202 I240 Y301 A320	L199-T242 CarbonylContact C-O 3.59Å; L199-T242 VanDerWaalsContact CA-O 3.3Å; L199-T242 WeakPolarHBondContact CA-O 3.27Å; C200-T242 PolarHBondContact N-O 2.95Å; C200-T242 PolarHBondContact O-N 2.86Å; W202-T242 WeakPolarHBondContact CH2-O 3.47Å; W202-T242 VanDerWaalsContact CH2-OG1 3.26Å; W202-T242 WeakPolarHBondContact CH2-OG1 3.32Å; W202-T242 VanDerWaalsContact CZ3-OG1 3.28Å; W202-T242 WeakPolarHBondContact CZ3-OG1 3.43Å; I240-T242 HydrophobicContact CG2-CG2 4.15Å; I240-T242 PolarHBondContact O-N 2.88Å; T242-Y301 HydrophobicContact CG2-CE1 4.17Å; T242-A320 HydrophobicContact CG2-CB 4.08Å
243	A	89.5	Confident	92.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	152	176.8	0	0	0	0	0	113.7	Y196 W202 S245 N246	Y196-A243 HydrophobicContact CD1-CB 4.37Å; W202-A243 WeakPolarHBondContact CH2-O 3.36Å; A243-S245 PolarHBondContact O-N 2.86Å; A243-N246 WeakPolarHBondContact O-CB 3.47Å; A243-N246 PolarHBondContact O-N 3.48Å
244	A	89.7	Confident	92.1	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.008	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-58.5	-29.5	178	0	0	0	0	0	114.1	T186 N246 I247	T186-A244 WeakPolarHBondContact CG2-O 3.26Å; T186-A244 PolarHBondContact OG1-O 2.93Å; A244-N246 PolarHBondContact O-N 2.85Å; A244-I247 PolarHBondContact O-N 3.45Å
245	S	87.3	Confident	91.9	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.021	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-68.9	-10.1	175	-46.9	0	0	0	0	114	Q183 T186 D194 Y196 A243	Q183-S245 WeakPolarHBondContact O-CB 3.41Å; T186-S245 WeakPolarHBondContact OG1-CA 3.41Å; D194-S245 PolarHBondContact OD1-OG 3.29Å; Y196-S245 WeakPolarHBondContact CE2-OG 3.24Å; Y196-S245 VanDerWaalsContact CZ-CB 3.47Å; Y196-S245 WeakPolarHBondContact OH-CB 3.15Å; A243-S245 PolarHBondContact O-N 2.86Å
246	N	90.1	Very high	91.7	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.021	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-100.1	9.1	178.1	-60.5	-20.9	0	0	0	113	N217 A243 A244 Y319 A320 G356 C357	N217-N246 PolarHBondContact ND2-O 3.46Å; A243-N246 WeakPolarHBondContact O-CB 3.47Å; A243-N246 PolarHBondContact O-N 3.48Å; A244-N246 PolarHBondContact O-N 2.85Å; N246-Y319 WeakPolarHBondContact O-CB 3.34Å; N246-A320 HydrophobicContact CB-CB 4.32Å; N246-A320 PolarHBondContact O-N 3.37Å; N246-A320 VanDerWaalsContact O-N 3.12Å; N246-G356 PolarHBondContact ND2-O 2.94Å; N246-C357 WeakPolarHBondContact ND2-CA 3.26Å
247	I	92.1	Very high	91.5	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.021	11%	0.107	C	C	.	.			trans	-101	138.3	177.2	-51.2	-59.7	0	0	0	110.5	W189 W202 L204 N217 L238 A244	W189-I247 HydrophobicContact CH2-CG2 4.07Å; W189-I247 HydrophobicContact CZ3-CB 4.45Å; W189-I247 HydrophobicContact CZ3-CG2 3.88Å; W202-I247 HydrophobicContact CD2-CD1 3.83Å; W202-I247 HydrophobicContact CD2-CG1 4.11Å; W202-I247 HydrophobicContact CE3-CD1 3.76Å; W202-I247 HydrophobicContact CE3-CG1 4.45Å; W202-I247 HydrophobicContact CH2-CD1 3.66Å; W202-I247 HydrophobicContact CH2-CG1 3.85Å; W202-I247 HydrophobicContact CZ2-CD1 3.86Å; W202-I247 HydrophobicContact CZ2-CG1 3.58Å; W202-I247 HydrophobicContact CZ3-CD1 3.66Å; W202-I247 HydrophobicContact CZ3-CG1 4.33Å; L204-I247 HydrophobicContact CD1-CG2 3.96Å; L204-I247 HydrophobicContact CD2-CG2 4.41Å; N217-I247 HydrophobicContact CB-CD1 4.22Å; N217-I247 WeakPolarHBondContact OD1-CA 3.13Å; N217-I247 WeakPolarHBondContact OD1-CG2 3.17Å; L238-I247 HydrophobicContact CD2-CD1 3.64Å; A244-I247 PolarHBondContact O-N 3.45Å
248	S	92.1	Very high	91.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.			trans	-151.1	155.3	-170.2	44.8	0	0	0	0	111.4	S179 S216 N217 Y319 M322	S179-S248 VanDerWaalsContact OG-CA 3.28Å; S179-S248 WeakPolarHBondContact OG-CA 3.33Å; S179-S248 WeakPolarHBondContact OG-CB 3.42Å; S216-S248 WeakPolarHBondContact CB-O 3.29Å; S216-S248 PolarHBondContact OG-O 3Å; N217-S248 PolarHBondContact ND2-OG 3.21Å; N217-S248 VanDerWaalsContact ND2-OG 3.1Å; N217-S248 PolarHBondContact OD1-N 2.94Å; N217-S248 PolarHBondContact OD1-O 2.9Å; S248-Y319 WeakPolarHBondContact OG-CB 3.48Å; S248-Y319 VanDerWaalsContact OG-CD2 3.24Å; S248-Y319 WeakPolarHBondContact OG-CD2 3.26Å; S248-M322 WeakPolarHBondContact OG-CE 3.38Å
249	L	94.3	Very high	91.1	Very high	6 Å²	6	20.1 Å²	20.1	3%	0.031	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	132.1	-178.2	178	62.9	0	0	0	108.8	I35 F178 S179 W189 F206 I251	I35-L249 HydrophobicContact CD1-CD2 3.99Å; F178-L249 CarbonylContact C-O 3.59Å; F178-L249 WeakPolarHBondContact CA-O 3.47Å; S179-L249 PolarHBondContact N-O 2.9Å; S179-L249 PolarHBondContact OG-N 2.64Å; S179-L249 PolarHBondContact OG-O 2.79Å; W189-L249 HydrophobicContact CH2-CB 3.88Å; W189-L249 HydrophobicContact CZ2-CB 3.88Å; W189-L249 HydrophobicContact CZ2-CD2 3.92Å; F206-L249 HydrophobicContact CD1-CD1 3.99Å; F206-L249 HydrophobicContact CD1-CD2 3.84Å; F206-L249 HydrophobicContact CD2-CD1 3.76Å; F206-L249 HydrophobicContact CE1-CD1 4Å; F206-L249 HydrophobicContact CE1-CD2 3.76Å; F206-L249 HydrophobicContact CE1-CG 4.41Å; F206-L249 HydrophobicContact CE2-CD1 3.76Å; F206-L249 HydrophobicContact CG-CD1 3.87Å; F206-L249 HydrophobicContact CG-CD2 4.49Å; F206-L249 HydrophobicContact CZ-CD1 3.87Å; F206-L249 HydrophobicContact CZ-CD2 4.34Å; L249-I251 HydrophobicContact CD1-CD1 4.01Å; L249-I251 HydrophobicContact CD1-CG1 3.93Å; L249-I251 HydrophobicContact CD2-CD1 3.72Å; L249-I251 HydrophobicContact CD2-CG1 4.45Å; L249-I251 HydrophobicContact CG-CD1 3.9Å; L249-I251 HydrophobicContact CG-CG1 4.07Å
250	A	94.7	Very high	91	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.4	168.6	0	0	0	0	0	108.9	F178 V215 F254 V307 I309	F178-A250 HydrophobicContact CB-CB 4.31Å; V215-A250 PolarHBondContact N-O 2.96Å; V215-A250 PolarHBondContact O-N 2.92Å; A250-F254 HydrophobicContact CB-CE2 4.08Å; A250-F254 HydrophobicContact CB-CZ 4.1Å; A250-V307 HydrophobicContact CB-CB 4.43Å; A250-V307 HydrophobicContact CB-CG1 3.95Å; A250-V307 HydrophobicContact CB-CG2 4.32Å; A250-I309 HydrophobicContact CB-CD1 3.63Å
251	I	94.3	Very high	91	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	126.5	179	-61.1	158.6	0	0	0	108.9	I38 F40 H176 V177 V208 M212 V213 A214 L249	I38-I251 HydrophobicContact CD1-CD1 3.25Å; F40-I251 HydrophobicContact CZ-CG2 4.4Å; H176-I251 CarbonylContact C-O 3.51Å; H176-I251 VanDerWaalsContact CA-O 3.23Å; H176-I251 WeakPolarHBondContact CA-O 3.41Å; H176-I251 VanDerWaalsContact CB-O 3.29Å; H176-I251 WeakPolarHBondContact CB-O 3.27Å; V177-I251 HydrophobicContact CG1-CB 3.82Å; V177-I251 HydrophobicContact CG1-CD1 4.18Å; V177-I251 HydrophobicContact CG1-CG2 4.48Å; V177-I251 PolarHBondContact N-O 3.41Å; V177-I251 PolarHBondContact O-N 3.49Å; V208-I251 HydrophobicContact CB-CG2 4.3Å; V208-I251 HydrophobicContact CG1-CD1 3.7Å; V208-I251 HydrophobicContact CG1-CG1 4.11Å; V208-I251 HydrophobicContact CG1-CG2 3.89Å; M212-I251 HydrophobicContact CB-CG2 3.99Å; V213-I251 WeakPolarHBondContact O-CA 3.3Å; A214-I251 HydrophobicContact CB-CG1 3.82Å; L249-I251 HydrophobicContact CD1-CD1 4.01Å; L249-I251 HydrophobicContact CD1-CG1 3.93Å; L249-I251 HydrophobicContact CD2-CD1 3.72Å; L249-I251 HydrophobicContact CD2-CG1 4.45Å; L249-I251 HydrophobicContact CG-CD1 3.9Å; L249-I251 HydrophobicContact CG-CG1 4.07Å
252	G	92.6	Very high	90.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172	-178.6	178.7	0	0	0	0	0	111.3	V213 F254	V213-G252 PolarHBondContact N-O 3.41Å; V213-G252 PolarHBondContact O-N 3.42Å; G252-F254 VanDerWaalsContact N-CE2 3.29Å; G252-F254 PolarHBondContact O-N 2.67Å
253	P	90.8	Very high	90.4	Very high	15 Å²	15	36.5 Å²	36.5	10%	0.097	18%	0.183	C	C	.	.	S	Bend	trans	-79.9	59.1	177.6	32.8	-32.9	0	0	0	109.8	A171 M212 E255 P271	A171-P253 HydrophobicContact CB-CB 4.26Å; M212-P253 HydrophobicContact SD-CB 4.02Å; M212-P253 VanDerWaalsContact SD-CD 3.6Å; M212-P253 HydrophobicContact SD-CG 4.3Å; P253-E255 PolarHBondContact O-N 3.48Å; P253-P271 HydrophobicContact CB-CG 4.2Å; P253-P271 HydrophobicContact CG-CG 4.14Å; P253-P271 VanDerWaalsContact O-CD 3.26Å; P253-P271 WeakPolarHBondContact O-CD 3.47Å; P253-P271 WeakPolarHBondContact O-CG 3.28Å
254	F	93	Very high	90.2	Very high	11 Å²	11	42.7 Å²	42.7	5%	0.048	21%	0.212	C	C	.	.			trans	-74.4	127.3	-169.3	-62.6	-58	0	0	0	112.9	V213 V215 A250 G252 F268 C269 L270 V307	V213-F254 HydrophobicContact CB-CB 4.4Å; V213-F254 HydrophobicContact CB-CD2 4.39Å; V215-F254 HydrophobicContact CG2-CD2 3.88Å; V215-F254 HydrophobicContact CG2-CE2 4.16Å; A250-F254 HydrophobicContact CB-CE2 4.08Å; A250-F254 HydrophobicContact CB-CZ 4.1Å; G252-F254 VanDerWaalsContact N-CE2 3.29Å; G252-F254 PolarHBondContact O-N 2.67Å; F254-F268 HydrophobicContact CB-CB 4.08Å; F254-F268 HydrophobicContact CB-CD1 4.11Å; F254-F268 HydrophobicContact CD1-CB 4.44Å; F254-F268 HydrophobicContact CG-CB 4.15Å; F254-C269 CarbonylContact C-O 3.58Å; F254-C269 VanDerWaalsContact CA-O 3.28Å; F254-C269 WeakPolarHBondContact CA-O 3.39Å; F254-L270 HydrophobicContact CD1-CD2 4.26Å; F254-L270 HydrophobicContact CE1-CD2 3.99Å; F254-V307 HydrophobicContact CD1-CG1 4.29Å; F254-V307 HydrophobicContact CE1-CG1 3.69Å; F254-V307 HydrophobicContact CE2-CG1 4.03Å; F254-V307 HydrophobicContact CZ-CG1 3.54Å
255	E	90.6	Very high	90.4	Very high	66 Å²	66	42.9 Å²	42.9	31%	0.308	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	136.4	162.1	-71.4	-174.7	-139.7	0	0	109.3	P253 F268 C269 P271 Q272 L274	P253-E255 PolarHBondContact O-N 3.48Å; E255-F268 WeakPolarHBondContact O-CA 3.31Å; E255-C269 PolarHBondContact N-O 3.09Å; E255-C269 PolarHBondContact O-N 2.78Å; E255-P271 WeakPolarHBondContact OE1-CA 3.48Å; E255-Q272 PolarHBondContact OE1-N 3.31Å; E255-L274 VanDerWaalsContact OE2-CB 3.31Å; E255-L274 WeakPolarHBondContact OE2-CB 3.34Å; E255-L274 WeakPolarHBondContact OE2-CD2 3.48Å
256	I	91.4	Very high	90.7	Very high	96 Å²	96	44.1 Å²	44.1	49%	0.492	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128	-175.8	-49.2	-178.7	0	0	0	109.8	T266 H267 F268	I256-T266 HydrophobicContact CG2-CG2 3.61Å; I256-H267 WeakPolarHBondContact CA-O 3.45Å; I256-F268 HydrophobicContact CD1-CD1 4.49Å; I256-F268 HydrophobicContact CD1-CE1 3.88Å; I256-F268 HydrophobicContact CG1-CD1 3.92Å; I256-F268 HydrophobicContact CG1-CE1 3.77Å; I256-F268 HydrophobicContact CG2-CE1 4.15Å
257	L	92.4	Very high	90.9	Very high	28 Å²	28	44 Å²	44	15%	0.147	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.9	170	177.4	72.4	0	0	0	109.1	H267 L274 L277 K278	L257-H267 HydrophobicContact CB-CB 4.22Å; L257-H267 PolarHBondContact N-O 3.37Å; L257-H267 WeakPolarHBondContact O-CB 3.34Å; L257-H267 PolarHBondContact O-CD2 2.86Å; L257-H267 PolarHBondContact O-N 2.72Å; L257-L274 HydrophobicContact CB-CD1 3.91Å; L257-L274 HydrophobicContact CD1-CD1 4.44Å; L257-L277 HydrophobicContact CB-CD2 3.92Å; L257-L277 HydrophobicContact CD2-CD2 4.01Å; L257-L277 HydrophobicContact CD2-CG 3.91Å; L257-K278 HydrophobicContact CD1-CD 4.43Å; L257-K278 HydrophobicContact CD1-CG 3.9Å; L257-K278 HydrophobicContact CD2-CB 4.41Å; L257-K278 HydrophobicContact CD2-CG 3.64Å; L257-K278 HydrophobicContact CG-CG 4.45Å
258	V	91.1	Very high	91	Very high	71 Å²	71	44.4 Å²	44.4	43%	0.43	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	139.5	167.8	-179.1	0	0	0	0	108.4	H263 T266	V258-H263 HydrophobicContact CG1-CB 4.27Å; V258-T266 HydrophobicContact CG2-CG2 4.48Å
259	D	88.5	Confident	91	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.016	22%	0.221	C	C	.	.			trans	-70.7	136.5	178.4	-173.1	-80.2	0	0	0	111.5	Y261 M262 H263 V265	D259-Y261 VanDerWaalsContact C-N 3.34Å; D259-Y261 PolarHBondContact O-N 3.32Å; D259-Y261 WeakPolarHBondContact OD1-CA 3.48Å; D259-Y261 WeakPolarHBondContact OD1-CB 3.26Å; D259-Y261 PolarHBondContact OD1-N 3.12Å; D259-M262 PolarHBondContact OD1-N 2.87Å; D259-H263 PolarHBondContact O-ND1 3.03Å; D259-H263 VanDerWaalsContact O-ND1 3.13Å; D259-V265 HydrophobicContact CB-CB 3.97Å; D259-V265 HydrophobicContact CB-CG1 4.29Å; D259-V265 PolarHBondContact N-O 3.19Å
260	P	88.3	Confident	90.9	Very high	97 Å²	97	45.1 Å²	45.1	63%	0.63	23%	0.225	S	C	*	.	S	Bend	trans	-75	-19.2	-177	30.7	-36.2	0	0	0	114.1
261	Y	88.6	Confident	90.6	Very high	164 Å²	164	47.4 Å²	47.4	64%	0.643	24%	0.24	S	C	*	.	S	Bend	trans	-95.7	-36.2	179	-57.1	-78.7	0	0	0	111.9	D259 H285	D259-Y261 VanDerWaalsContact C-N 3.34Å; D259-Y261 PolarHBondContact O-N 3.32Å; D259-Y261 WeakPolarHBondContact OD1-CA 3.48Å; D259-Y261 WeakPolarHBondContact OD1-CB 3.26Å; D259-Y261 PolarHBondContact OD1-N 3.12Å; Y261-H285 AromaticContact CD2-CE1 3.54Å; Y261-H285 AromaticContact CD2-ND1 3.42Å; Y261-H285 WeakPolarHBondContact CD2-ND1 3.43Å; Y261-H285 AromaticContact CE2-CE1 3.6Å; Y261-H285 AromaticContact CE2-ND1 3.91Å
262	M	85.4	Confident	90.3	Very high	54 Å²	54	55.8 Å²	55.8	27%	0.266	28%	0.279	S	S	.	.			trans	-130.7	94.5	179.9	-67.2	-178.3	172.9	0	0	111.2	D259 E264 V265 H285 F288	D259-M262 PolarHBondContact OD1-N 2.87Å; M262-E264 PolarHBondContact O-N 3Å; M262-V265 HydrophobicContact CB-CB 4.35Å; M262-V265 HydrophobicContact CB-CG2 3.64Å; M262-V265 VanDerWaalsContact O-CB 3.31Å; M262-V265 WeakPolarHBondContact O-CB 3.4Å; M262-V265 PolarHBondContact O-N 2.92Å; M262-V265 HydrophobicContact SD-CG2 4.4Å; M262-H285 HydrophobicContact CE-CB 4.22Å; M262-H285 HydrophobicContact CG-CB 4.29Å; M262-H285 HydrophobicContact SD-CB 3.99Å; M262-F288 HydrophobicContact CE-CB 3.87Å; M262-F288 HydrophobicContact SD-CB 3.81Å; M262-F288 HydrophobicContact SD-CD2 4.27Å; M262-F288 HydrophobicContact SD-CG 4.13Å
263	H	81.9	Confident	90.2	Very high	143 Å²	143	58.1 Å²	58.1	66%	0.662	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.2	-175.7	-56.4	-23.9	0	0	0	115	V258 D259 V265	V258-H263 HydrophobicContact CG1-CB 4.27Å; D259-H263 PolarHBondContact O-ND1 3.03Å; D259-H263 VanDerWaalsContact O-ND1 3.13Å; H263-V265 PolarHBondContact O-N 3.14Å
264	E	86	Confident	90.1	Very high	130 Å²	130	59.2 Å²	59.2	61%	0.607	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-12.9	171.6	-63.5	174.1	177.5	0	0	112.7	M262 C303 F304	M262-E264 PolarHBondContact O-N 3Å; E264-C303 CarbonylContact O-C 3.56Å; E264-C303 VanDerWaalsContact O-CA 3.24Å; E264-C303 WeakPolarHBondContact O-CA 3.37Å; E264-C303 WeakPolarHBondContact O-CB 3.49Å; E264-F304 PolarHBondContact O-N 3.09Å
265	V	92	Very high	90	Very high	6 Å²	6	63.1 Å²	63.1	4%	0.036	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	117.8	-178.8	-173.2	0	0	0	0	109.1	D259 M262 H263 H267 L284 F288 F304	D259-V265 HydrophobicContact CB-CB 3.97Å; D259-V265 HydrophobicContact CB-CG1 4.29Å; D259-V265 PolarHBondContact N-O 3.19Å; M262-V265 HydrophobicContact CB-CB 4.35Å; M262-V265 HydrophobicContact CB-CG2 3.64Å; M262-V265 VanDerWaalsContact O-CB 3.31Å; M262-V265 WeakPolarHBondContact O-CB 3.4Å; M262-V265 PolarHBondContact O-N 2.92Å; M262-V265 HydrophobicContact SD-CG2 4.4Å; H263-V265 PolarHBondContact O-N 3.14Å; V265-H267 VanDerWaalsContact CG1-NE2 3.27Å; V265-H267 WeakPolarHBondContact CG1-NE2 3.14Å; V265-L284 HydrophobicContact CG1-CD2 3.69Å; V265-F288 HydrophobicContact CG2-CD2 4.44Å; V265-F288 HydrophobicContact CG2-CE2 4.03Å; V265-F288 HydrophobicContact CG2-CZ 4.5Å; V265-F304 WeakPolarHBondContact CA-O 3.2Å; V265-F304 HydrophobicContact CG1-CD1 3.95Å
266	T	93.5	Very high	90	Very high	28 Å²	28	62.7 Å²	62.7	17%	0.172	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.8	-176.7	-53.4	0	0	0	0	111.5	I256 V258 F268 F304 K305 T306	I256-T266 HydrophobicContact CG2-CG2 3.61Å; V258-T266 HydrophobicContact CG2-CG2 4.48Å; T266-F268 HydrophobicContact CG2-CD2 4.38Å; T266-F268 HydrophobicContact CG2-CE1 4.41Å; T266-F268 HydrophobicContact CG2-CE2 3.59Å; T266-F268 HydrophobicContact CG2-CZ 3.61Å; T266-F304 PolarHBondContact N-O 3.29Å; T266-K305 CarbonylContact O-C 3.45Å; T266-K305 VanDerWaalsContact O-CA 3.27Å; T266-K305 WeakPolarHBondContact O-CA 3.46Å; T266-T306 PolarHBondContact O-N 3.34Å
267	H	94.4	Very high	90	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	139.4	-175.4	-53.9	-86.3	0	0	0	111.3	I256 L257 V265 L277 T281 T306	I256-H267 WeakPolarHBondContact CA-O 3.45Å; L257-H267 HydrophobicContact CB-CB 4.22Å; L257-H267 PolarHBondContact N-O 3.37Å; L257-H267 WeakPolarHBondContact O-CB 3.34Å; L257-H267 PolarHBondContact O-CD2 2.86Å; L257-H267 PolarHBondContact O-N 2.72Å; V265-H267 VanDerWaalsContact CG1-NE2 3.27Å; V265-H267 WeakPolarHBondContact CG1-NE2 3.14Å; H267-L277 HydrophobicContact CB-CD1 4.09Å; H267-L277 HydrophobicContact CB-CD2 3.76Å; H267-L277 HydrophobicContact CB-CG 4.22Å; H267-T281 VanDerWaalsContact CE1-CG2 3.49Å; H267-T281 WeakPolarHBondContact CE1-CG2 3.43Å; H267-T281 PolarHBondContact CE1-OG1 2.83Å; H267-T281 VanDerWaalsContact CE1-OG1 3.31Å; H267-T281 PolarHBondContact ND1-OG1 2.82Å; H267-T281 VanDerWaalsContact ND1-OG1 3.13Å; H267-T281 WeakPolarHBondContact NE2-CG2 2.97Å; H267-T306 WeakPolarHBondContact ND1-CG2 3.32Å; H267-T306 PolarHBondContact ND1-OG1 3.14Å
268	F	94.5	Very high	89.9	Confident	13 Å²	13	62.2 Å²	62.2	6%	0.057	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127	-178.8	-59.8	-91.1	0	0	0	108.7	V213 V215 F254 E255 I256 T266 K305 T306 V307 F308	V213-F268 HydrophobicContact CG1-CE1 4.2Å; V215-F268 HydrophobicContact CG1-CD2 3.83Å; V215-F268 HydrophobicContact CG1-CE1 4.43Å; V215-F268 HydrophobicContact CG1-CE2 3.6Å; V215-F268 HydrophobicContact CG1-CG 4.36Å; V215-F268 HydrophobicContact CG1-CZ 3.93Å; V215-F268 HydrophobicContact CG2-CB 4.49Å; V215-F268 HydrophobicContact CG2-CD1 3.63Å; V215-F268 HydrophobicContact CG2-CD2 4.16Å; V215-F268 HydrophobicContact CG2-CE1 3.77Å; V215-F268 HydrophobicContact CG2-CE2 4.3Å; V215-F268 HydrophobicContact CG2-CG 3.84Å; V215-F268 HydrophobicContact CG2-CZ 4.12Å; F254-F268 HydrophobicContact CB-CB 4.08Å; F254-F268 HydrophobicContact CB-CD1 4.11Å; F254-F268 HydrophobicContact CD1-CB 4.44Å; F254-F268 HydrophobicContact CG-CB 4.15Å; E255-F268 WeakPolarHBondContact O-CA 3.31Å; I256-F268 HydrophobicContact CD1-CD1 4.49Å; I256-F268 HydrophobicContact CD1-CE1 3.88Å; I256-F268 HydrophobicContact CG1-CD1 3.92Å; I256-F268 HydrophobicContact CG1-CE1 3.77Å; I256-F268 HydrophobicContact CG2-CE1 4.15Å; T266-F268 HydrophobicContact CG2-CD2 4.38Å; T266-F268 HydrophobicContact CG2-CE1 4.41Å; T266-F268 HydrophobicContact CG2-CE2 3.59Å; T266-F268 HydrophobicContact CG2-CZ 3.61Å; F268-K305 HydrophobicContact CE2-CB 4.19Å; F268-K305 HydrophobicContact CE2-CD 4.44Å; F268-K305 HydrophobicContact CE2-CG 4.23Å; F268-T306 PolarHBondContact N-O 2.83Å; F268-V307 HydrophobicContact CB-CB 4.43Å; F268-V307 HydrophobicContact CB-CG1 4.02Å; F268-V307 HydrophobicContact CB-CG2 4.29Å; F268-V307 HydrophobicContact CD2-CG2 4.32Å; F268-V307 WeakPolarHBondContact O-CA 3.17Å; F268-F308 PolarHBondContact O-N 2.78Å
269	C	93.6	Very high	89.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	161	172.4	67.9	0	0	0	0	111	F254 E255 L273 L277 F308	F254-C269 CarbonylContact C-O 3.58Å; F254-C269 VanDerWaalsContact CA-O 3.28Å; F254-C269 WeakPolarHBondContact CA-O 3.39Å; E255-C269 PolarHBondContact N-O 3.09Å; E255-C269 PolarHBondContact O-N 2.78Å; C269-L273 HydrophobicContact CB-CB 4.37Å; C269-L277 HydrophobicContact CB-CD2 3.98Å; C269-F308 HydrophobicContact CB-CB 4.39Å
270	L	91.2	Very high	89.9	Confident	22 Å²	22	61 Å²	61	12%	0.115	31%	0.305	C	S	.	.			trans	-61.3	156.6	169	-61.4	174	0	0	0	110.6	H176 F254 L273 D310 T327	H176-L270 HydrophobicContact CB-CD2 4.42Å; F254-L270 HydrophobicContact CD1-CD2 4.26Å; F254-L270 HydrophobicContact CE1-CD2 3.99Å; L270-L273 HydrophobicContact CB-CD1 4.13Å; L270-L273 PolarHBondContact O-N 3.34Å; L270-D310 HydrophobicContact CD1-CB 4.48Å; L270-T327 HydrophobicContact CD1-CG2 4.45Å
271	P	88.5	Confident	89.9	Confident	47 Å²	47	56.7 Å²	56.7	31%	0.305	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	157.8	-174.7	-27.1	35.9	0	0	0	113.8	P253 E255 L273	P253-P271 HydrophobicContact CB-CG 4.2Å; P253-P271 HydrophobicContact CG-CG 4.14Å; P253-P271 VanDerWaalsContact O-CD 3.26Å; P253-P271 WeakPolarHBondContact O-CD 3.47Å; P253-P271 WeakPolarHBondContact O-CG 3.28Å; E255-P271 WeakPolarHBondContact OE1-CA 3.48Å; P271-L273 PolarHBondContact O-N 3.31Å
272	Q	88.1	Confident	89.9	Confident	177 Å²	177	50.6 Å²	50.6	83%	0.827	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	-15.9	-179.7	-45.9	174.3	7.9	0	0	115.2	E255 P275	E255-Q272 PolarHBondContact OE1-N 3.31Å; Q272-P275 WeakPolarHBondContact O-CD 3.39Å
273	L	89.9	Confident	89.9	Confident	49 Å²	49	51.2 Å²	51.2	26%	0.257	26%	0.258	S	S	.	.			trans	-82.8	-7.5	-179.4	-56.8	-179.1	0	0	0	114.3	C269 L270 P271 P275 L276 L277 T327 L330	C269-L273 HydrophobicContact CB-CB 4.37Å; L270-L273 HydrophobicContact CB-CD1 4.13Å; L270-L273 PolarHBondContact O-N 3.34Å; P271-L273 PolarHBondContact O-N 3.31Å; L273-P275 VanDerWaalsContact C-N 3.34Å; L273-P275 VanDerWaalsContact O-N 3.16Å; L273-L276 HydrophobicContact CD2-CD1 4.32Å; L273-L276 WeakPolarHBondContact O-CB 3.39Å; L273-L276 PolarHBondContact O-N 3.47Å; L273-L277 PolarHBondContact O-N 2.96Å; L273-L277 VanDerWaalsContact O-N 3.11Å; L273-T327 HydrophobicContact CD1-CG2 4.05Å; L273-L330 HydrophobicContact CB-CD1 4.14Å; L273-L330 HydrophobicContact CD1-CD1 3.96Å
274	L	89.1	Confident	90.2	Very high	38 Å²	38	44.5 Å²	44.5	20%	0.199	23%	0.227	C	C	.	.	H	α-helix	trans	-49	-38.4	-177.2	-171.7	74.6	0	0	0	115.4	E255 L257 L276 L277 K278	E255-L274 VanDerWaalsContact OE2-CB 3.31Å; E255-L274 WeakPolarHBondContact OE2-CB 3.34Å; E255-L274 WeakPolarHBondContact OE2-CD2 3.48Å; L257-L274 HydrophobicContact CB-CD1 3.91Å; L257-L274 HydrophobicContact CD1-CD1 4.44Å; L274-L276 VanDerWaalsContact C-N 3.34Å; L274-L276 PolarHBondContact O-N 3.24Å; L274-L277 HydrophobicContact CD1-CD2 4.41Å; L274-L277 PolarHBondContact O-N 3.15Å; L274-K278 WeakPolarHBondContact O-CG 3.24Å; L274-K278 PolarHBondContact O-N 3.22Å
275	P	91.1	Very high	90.4	Very high	93 Å²	93	40 Å²	40	60%	0.604	21%	0.206	S	C	*	.	H	α-helix	trans	-66.6	-33.2	177.3	-21.1	34.6	0	0	0	113.6	Q272 L273	Q272-P275 WeakPolarHBondContact O-CD 3.39Å; L273-P275 VanDerWaalsContact C-N 3.34Å; L273-P275 VanDerWaalsContact O-N 3.16Å
276	L	91	Very high	90.4	Very high	56 Å²	56	43.1 Å²	43.1	29%	0.293	22%	0.22	S	C	.	.	H	α-helix	trans	-73.5	-41	176	-54.4	177.7	0	0	0	110.3	L273 L274 K278 H279 T280 L330	L273-L276 HydrophobicContact CD2-CD1 4.32Å; L273-L276 WeakPolarHBondContact O-CB 3.39Å; L273-L276 PolarHBondContact O-N 3.47Å; L274-L276 VanDerWaalsContact C-N 3.34Å; L274-L276 PolarHBondContact O-N 3.24Å; L276-K278 PolarHBondContact O-N 2.84Å; L276-H279 PolarHBondContact O-N 2.9Å; L276-T280 WeakPolarHBondContact O-CB 3.42Å; L276-T280 PolarHBondContact O-N 3.2Å; L276-T280 PolarHBondContact O-OG1 3.21Å; L276-L330 HydrophobicContact CB-CB 4.16Å
277	L	91.3	Very high	90.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.7	-48.3	175	-177.8	65.3	0	0	0	111.3	L257 H267 C269 L273 L274 H279 T280 T281 F308 L330	L257-L277 HydrophobicContact CB-CD2 3.92Å; L257-L277 HydrophobicContact CD2-CD2 4.01Å; L257-L277 HydrophobicContact CD2-CG 3.91Å; H267-L277 HydrophobicContact CB-CD1 4.09Å; H267-L277 HydrophobicContact CB-CD2 3.76Å; H267-L277 HydrophobicContact CB-CG 4.22Å; C269-L277 HydrophobicContact CB-CD2 3.98Å; L273-L277 PolarHBondContact O-N 2.96Å; L273-L277 VanDerWaalsContact O-N 3.11Å; L274-L277 HydrophobicContact CD1-CD2 4.41Å; L274-L277 PolarHBondContact O-N 3.15Å; L277-H279 PolarHBondContact O-N 2.87Å; L277-T280 PolarHBondContact O-N 3.02Å; L277-T280 VanDerWaalsContact O-N 3.11Å; L277-T281 VanDerWaalsContact O-CB 3.26Å; L277-T281 WeakPolarHBondContact O-CB 3.08Å; L277-T281 PolarHBondContact O-N 2.86Å; L277-T281 PolarHBondContact O-OG1 2.8Å; L277-F308 HydrophobicContact CD1-CD2 3.56Å; L277-F308 HydrophobicContact CD1-CE2 3.39Å; L277-F308 HydrophobicContact CD1-CZ 4.3Å; L277-L330 HydrophobicContact CB-CD2 4.28Å; L277-L330 HydrophobicContact CD1-CD2 3.95Å
278	K	90.6	Very high	90.2	Very high	115 Å²	115	42.2 Å²	42.2	50%	0.5	21%	0.214	S	C	.	.	H	α-helix	trans	-54.8	-36.1	178.6	-77.6	176.9	178.3	-179.3	0	113.8	L257 L274 L276	L257-K278 HydrophobicContact CD1-CD 4.43Å; L257-K278 HydrophobicContact CD1-CG 3.9Å; L257-K278 HydrophobicContact CD2-CB 4.41Å; L257-K278 HydrophobicContact CD2-CG 3.64Å; L257-K278 HydrophobicContact CG-CG 4.45Å; L274-K278 WeakPolarHBondContact O-CG 3.24Å; L274-K278 PolarHBondContact O-N 3.22Å; L276-K278 PolarHBondContact O-N 2.84Å
279	H	90.6	Very high	90.1	Very high	43 Å²	43	47.7 Å²	47.7	20%	0.199	24%	0.24	C	C	.	.	H	α-helix	trans	-80	-43.2	174.4	-177.7	56.8	0	0	0	112.6	L276 L277 T281 S282 A333	L276-H279 PolarHBondContact O-N 2.9Å; L277-H279 PolarHBondContact O-N 2.87Å; H279-T281 VanDerWaalsContact C-N 3.31Å; H279-T281 PolarHBondContact O-N 3.36Å; H279-S282 PolarHBondContact O-N 2.95Å; H279-S282 PolarHBondContact O-OG 3.46Å; H279-A333 PolarHBondContact CD2-N 3.12Å; H279-A333 VanDerWaalsContact CD2-N 3.28Å; H279-A333 WeakPolarHBondContact NE2-CA 3.22Å
280	T	89.4	Confident	90	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-39.9	-177.8	-58.8	0	0	0	0	111.8	L276 L277 F308 L330 H331 T342	L276-T280 WeakPolarHBondContact O-CB 3.42Å; L276-T280 PolarHBondContact O-N 3.2Å; L276-T280 PolarHBondContact O-OG1 3.21Å; L277-T280 PolarHBondContact O-N 3.02Å; L277-T280 VanDerWaalsContact O-N 3.11Å; T280-F308 HydrophobicContact CG2-CZ 4.25Å; T280-L330 HydrophobicContact CG2-CD2 4.16Å; T280-H331 PolarHBondContact OG1-N 3.3Å; T280-H331 VanDerWaalsContact OG1-N 3.15Å; T280-H331 PolarHBondContact OG1-O 2.76Å; T280-T342 HydrophobicContact CG2-CG2 3.6Å
281	T	87.5	Confident	90.1	Very high	6 Å²	6	47.7 Å²	47.7	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-71.2	-31.3	179.5	-80.5	0	0	0	0	113.9	H267 L277 H279 Y283 L284	H267-T281 VanDerWaalsContact CE1-CG2 3.49Å; H267-T281 WeakPolarHBondContact CE1-CG2 3.43Å; H267-T281 PolarHBondContact CE1-OG1 2.83Å; H267-T281 VanDerWaalsContact CE1-OG1 3.31Å; H267-T281 PolarHBondContact ND1-OG1 2.82Å; H267-T281 VanDerWaalsContact ND1-OG1 3.13Å; H267-T281 WeakPolarHBondContact NE2-CG2 2.97Å; L277-T281 VanDerWaalsContact O-CB 3.26Å; L277-T281 WeakPolarHBondContact O-CB 3.08Å; L277-T281 PolarHBondContact O-N 2.86Å; L277-T281 PolarHBondContact O-OG1 2.8Å; H279-T281 VanDerWaalsContact C-N 3.31Å; H279-T281 PolarHBondContact O-N 3.36Å; T281-Y283 PolarHBondContact O-N 3.3Å; T281-L284 VanDerWaalsContact O-CB 3.27Å; T281-L284 WeakPolarHBondContact O-CB 3.34Å; T281-L284 PolarHBondContact O-N 3.04Å
282	S	87.7	Confident	90.2	Very high	36 Å²	36	47 Å²	47	25%	0.252	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-15.1	-157.7	66.5	0	0	0	0	116	H279 H285	H279-S282 PolarHBondContact O-N 2.95Å; H279-S282 PolarHBondContact O-OG 3.46Å; S282-H285 PolarHBondContact O-CE1 3.25Å; S282-H285 PolarHBondContact O-ND1 3.37Å; S282-H285 VanDerWaalsContact O-ND1 3.07Å
283	Y	85.6	Confident	90.4	Very high	68 Å²	68	44.6 Å²	44.6	27%	0.267	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-2.4	178.5	-61.4	-76.5	0	0	0	113.8	T281 H285 E286 R343	T281-Y283 PolarHBondContact O-N 3.3Å; Y283-H285 PolarHBondContact O-N 3.29Å; Y283-E286 WeakPolarHBondContact CD1-OE1 3.44Å; Y283-E286 WeakPolarHBondContact O-CB 3.24Å; Y283-E286 PolarHBondContact O-N 2.91Å; Y283-R343 VanDerWaalsContact CG-CZ 3.49Å
284	L	89.5	Confident	90.5	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-68	-35.3	-173.7	-176.9	64.8	0	0	0	112.7	V265 T281 E286 V287 F288 F304 T306 L346	V265-L284 HydrophobicContact CG1-CD2 3.69Å; T281-L284 VanDerWaalsContact O-CB 3.27Å; T281-L284 WeakPolarHBondContact O-CB 3.34Å; T281-L284 PolarHBondContact O-N 3.04Å; L284-E286 VanDerWaalsContact C-N 3.28Å; L284-E286 PolarHBondContact O-N 2.85Å; L284-V287 WeakPolarHBondContact O-CA 3.3Å; L284-V287 WeakPolarHBondContact O-CB 3.14Å; L284-V287 PolarHBondContact O-N 3.33Å; L284-F288 HydrophobicContact CD1-CD2 4.43Å; L284-F288 HydrophobicContact CD1-CE2 4.2Å; L284-F288 HydrophobicContact CD2-CE2 4.06Å; L284-F288 HydrophobicContact CG-CD2 4.01Å; L284-F288 HydrophobicContact CG-CE2 3.84Å; L284-F288 WeakPolarHBondContact O-CD2 2.97Å; L284-F288 PolarHBondContact O-N 3.41Å; L284-F288 VanDerWaalsContact O-N 3.1Å; L284-F304 HydrophobicContact CD2-CD1 4.02Å; L284-F304 HydrophobicContact CD2-CE1 3.58Å; L284-T306 HydrophobicContact CD2-CG2 4.5Å; L284-L346 HydrophobicContact CD1-CB 4.41Å
285	H	89.9	Confident	90.4	Very high	36 Å²	36	41.7 Å²	41.7	17%	0.167	21%	0.205	C	C	.	.	H	α-helix	trans	-61.9	-35.2	176.3	69.9	-91.6	0	0	0	112.2	Y261 M262 S282 Y283 V287 F288 E289	Y261-H285 AromaticContact CD2-CE1 3.54Å; Y261-H285 AromaticContact CD2-ND1 3.42Å; Y261-H285 WeakPolarHBondContact CD2-ND1 3.43Å; Y261-H285 AromaticContact CE2-CE1 3.6Å; Y261-H285 AromaticContact CE2-ND1 3.91Å; M262-H285 HydrophobicContact CE-CB 4.22Å; M262-H285 HydrophobicContact CG-CB 4.29Å; M262-H285 HydrophobicContact SD-CB 3.99Å; S282-H285 PolarHBondContact O-CE1 3.25Å; S282-H285 PolarHBondContact O-ND1 3.37Å; S282-H285 VanDerWaalsContact O-ND1 3.07Å; Y283-H285 PolarHBondContact O-N 3.29Å; H285-V287 PolarHBondContact O-N 2.93Å; H285-F288 PolarHBondContact O-N 2.94Å; H285-E289 PolarHBondContact O-N 2.92Å
286	E	91.1	Very high	90.4	Very high	71 Å²	71	41.7 Å²	41.7	33%	0.332	20%	0.204	S	C	.	.	H	α-helix	trans	-61.4	-32.4	173	-53.9	178	174.4	0	0	111.8	Y283 L284 F290	Y283-E286 WeakPolarHBondContact CD1-OE1 3.44Å; Y283-E286 WeakPolarHBondContact O-CB 3.24Å; Y283-E286 PolarHBondContact O-N 2.91Å; L284-E286 VanDerWaalsContact C-N 3.28Å; L284-E286 PolarHBondContact O-N 2.85Å; E286-F290 VanDerWaalsContact O-CB 3.28Å; E286-F290 WeakPolarHBondContact O-CB 3.36Å; E286-F290 PolarHBondContact O-N 3.31Å
287	V	92.3	Very high	90.1	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	20%	0.201	C	C	.	.	H	α-helix	trans	-73.8	-40.8	176.4	-164	0	0	0	0	110.9	L284 H285 Y291 A347 L350 W381	L284-V287 WeakPolarHBondContact O-CA 3.3Å; L284-V287 WeakPolarHBondContact O-CB 3.14Å; L284-V287 PolarHBondContact O-N 3.33Å; H285-V287 PolarHBondContact O-N 2.93Å; V287-Y291 HydrophobicContact CG1-CD2 4.11Å; V287-Y291 HydrophobicContact CG1-CE1 4.26Å; V287-Y291 HydrophobicContact CG1-CE2 3.73Å; V287-Y291 WeakPolarHBondContact O-CB 3.48Å; V287-Y291 PolarHBondContact O-N 2.83Å; V287-A347 HydrophobicContact CG1-CB 4.02Å; V287-L350 HydrophobicContact CB-CD2 4.5Å; V287-L350 HydrophobicContact CG1-CD2 4.15Å; V287-W381 HydrophobicContact CG2-CH2 4.28Å; V287-W381 HydrophobicContact CG2-CZ2 3.56Å
288	F	91.8	Very high	90	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.035	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-53.7	174.2	-86.6	-78	0	0	0	111.3	M262 V265 L284 H285 F290 Y291 E292 Y299 F304 L350	M262-F288 HydrophobicContact CE-CB 3.87Å; M262-F288 HydrophobicContact SD-CB 3.81Å; M262-F288 HydrophobicContact SD-CD2 4.27Å; M262-F288 HydrophobicContact SD-CG 4.13Å; V265-F288 HydrophobicContact CG2-CD2 4.44Å; V265-F288 HydrophobicContact CG2-CE2 4.03Å; V265-F288 HydrophobicContact CG2-CZ 4.5Å; L284-F288 HydrophobicContact CD1-CD2 4.43Å; L284-F288 HydrophobicContact CD1-CE2 4.2Å; L284-F288 HydrophobicContact CD2-CE2 4.06Å; L284-F288 HydrophobicContact CG-CD2 4.01Å; L284-F288 HydrophobicContact CG-CE2 3.84Å; L284-F288 WeakPolarHBondContact O-CD2 2.97Å; L284-F288 PolarHBondContact O-N 3.41Å; L284-F288 VanDerWaalsContact O-N 3.1Å; H285-F288 PolarHBondContact O-N 2.94Å; F288-F290 VanDerWaalsContact C-N 3.32Å; F288-F290 PolarHBondContact O-N 3.02Å; F288-Y291 PolarHBondContact O-N 2.96Å; F288-Y291 VanDerWaalsContact O-N 3.12Å; F288-E292 WeakPolarHBondContact O-CG 2.96Å; F288-E292 PolarHBondContact O-N 3.05Å; F288-Y299 HydrophobicContact CD1-CG 4.49Å; F288-Y299 HydrophobicContact CE1-CD1 4.2Å; F288-Y299 AromaticContact CE1-CD2 3.74Å; F288-Y299 HydrophobicContact CE1-CD2 3.74Å; F288-Y299 HydrophobicContact CE1-CE2 4.19Å; F288-Y299 AromaticContact CE1-CG 3.76Å; F288-Y299 HydrophobicContact CE1-CG 3.76Å; F288-F304 HydrophobicContact CE2-CB 4.47Å; F288-F304 HydrophobicContact CE2-CD1 4.13Å; F288-F304 HydrophobicContact CE2-CE1 4.47Å; F288-F304 HydrophobicContact CE2-CG 4.19Å; F288-F304 HydrophobicContact CZ-CB 3.75Å; F288-F304 HydrophobicContact CZ-CD1 4.04Å; F288-F304 AromaticContact CZ-CD2 3.85Å; F288-F304 HydrophobicContact CZ-CD2 3.85Å; F288-F304 HydrophobicContact CZ-CE2 4.42Å; F288-F304 AromaticContact CZ-CG 3.63Å; F288-F304 HydrophobicContact CZ-CG 3.63Å; F288-L350 HydrophobicContact CD1-CD1 4.43Å; F288-L350 HydrophobicContact CD1-CD2 3.89Å; F288-L350 HydrophobicContact CD2-CD2 4.05Å; F288-L350 HydrophobicContact CE1-CD1 3.62Å; F288-L350 HydrophobicContact CE1-CD2 3.84Å; F288-L350 HydrophobicContact CE1-CG 4.38Å; F288-L350 HydrophobicContact CE2-CD1 4.46Å; F288-L350 HydrophobicContact CE2-CD2 3.99Å; F288-L350 HydrophobicContact CG-CD2 4Å; F288-L350 HydrophobicContact CZ-CD1 3.63Å; F288-L350 HydrophobicContact CZ-CD2 3.88Å; F288-L350 HydrophobicContact CZ-CG 4.43Å
289	E	91.7	Very high	89.9	Confident	128 Å²	128	45.3 Å²	45.3	60%	0.598	22%	0.215	S	C	*	.	H	α-helix	trans	-54.1	-47.9	179.4	-175.7	178.2	-168.2	0	0	111.6	H285 Y291 E292 E293	H285-E289 PolarHBondContact O-N 2.92Å; E289-Y291 PolarHBondContact O-N 2.71Å; E289-E292 PolarHBondContact O-N 2.72Å; E289-E293 WeakPolarHBondContact O-CB 3.12Å; E289-E293 PolarHBondContact O-N 3.09Å
290	F	93	Very high	89.7	Confident	21 Å²	21	44.8 Å²	44.8	9%	0.092	22%	0.216	C	C	.	.	H	α-helix	trans	-65.7	-35.3	178.8	-178.2	-98.4	0	0	0	113.8	E286 F288 I294 L380 W381 K384	E286-F290 VanDerWaalsContact O-CB 3.28Å; E286-F290 WeakPolarHBondContact O-CB 3.36Å; E286-F290 PolarHBondContact O-N 3.31Å; F288-F290 VanDerWaalsContact C-N 3.32Å; F288-F290 PolarHBondContact O-N 3.02Å; F290-I294 HydrophobicContact CD1-CD1 4.11Å; F290-I294 HydrophobicContact CE1-CD1 3.35Å; F290-I294 HydrophobicContact CE1-CG1 4.32Å; F290-I294 HydrophobicContact CE2-CD1 3.89Å; F290-I294 HydrophobicContact CE2-CG1 4.46Å; F290-I294 HydrophobicContact CZ-CD1 3.25Å; F290-I294 HydrophobicContact CZ-CG1 4.24Å; F290-I294 WeakPolarHBondContact O-CB 3.46Å; F290-I294 WeakPolarHBondContact O-CG1 3.23Å; F290-I294 PolarHBondContact O-N 3.06Å; F290-L380 HydrophobicContact CE1-CB 4.47Å; F290-L380 HydrophobicContact CZ-CB 4.45Å; F290-W381 HydrophobicContact CD1-CB 3.73Å; F290-W381 AromaticContact CD1-CD1 3.47Å; F290-W381 VanDerWaalsContact CD1-CD1 3.47Å; F290-W381 AromaticContact CD1-CG 3.99Å; F290-W381 HydrophobicContact CD1-CG 3.99Å; F290-W381 HydrophobicContact CE1-CB 3.44Å; F290-W381 VanDerWaalsContact CE1-CB 3.44Å; F290-W381 AromaticContact CE1-CD1 3.97Å; F290-W381 HydrophobicContact CE1-CG 4.13Å; F290-W381 AromaticContact CG-CD1 3.86Å; F290-W381 HydrophobicContact CZ-CB 4.33Å; F290-K384 HydrophobicContact CD2-CB 4.48Å; F290-K384 HydrophobicContact CD2-CG 4.07Å; F290-K384 HydrophobicContact CE2-CB 3.66Å; F290-K384 HydrophobicContact CE2-CD 4.04Å; F290-K384 HydrophobicContact CE2-CG 3.59Å; F290-K384 HydrophobicContact CZ-CB 3.83Å; F290-K384 HydrophobicContact CZ-CG 4.29Å
291	Y	92.8	Very high	89.6	Confident	1 Å²	1	44.9 Å²	44.9	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-74.8	-35.6	175.4	-73.4	-6.2	0	0	0	112.4	V287 F288 E289 L295 A347 L350 A351 F354 I377 Y378 W381	V287-Y291 HydrophobicContact CG1-CD2 4.11Å; V287-Y291 HydrophobicContact CG1-CE1 4.26Å; V287-Y291 HydrophobicContact CG1-CE2 3.73Å; V287-Y291 WeakPolarHBondContact O-CB 3.48Å; V287-Y291 PolarHBondContact O-N 2.83Å; F288-Y291 PolarHBondContact O-N 2.96Å; F288-Y291 VanDerWaalsContact O-N 3.12Å; E289-Y291 PolarHBondContact O-N 2.71Å; Y291-L295 WeakPolarHBondContact O-CB 3.35Å; Y291-L295 VanDerWaalsContact O-CG 3.27Å; Y291-L295 WeakPolarHBondContact O-CG 3.28Å; Y291-L295 PolarHBondContact O-N 3.33Å; Y291-A347 WeakPolarHBondContact OH-CB 3.28Å; Y291-A347 PolarHBondContact OH-O 3.19Å; Y291-L350 HydrophobicContact CD2-CB 4.37Å; Y291-L350 HydrophobicContact CD2-CD2 3.63Å; Y291-L350 HydrophobicContact CD2-CG 3.79Å; Y291-L350 HydrophobicContact CE2-CB 3.98Å; Y291-L350 HydrophobicContact CE2-CD2 3.96Å; Y291-L350 HydrophobicContact CE2-CG 3.92Å; Y291-A351 HydrophobicContact CE2-CB 4.13Å; Y291-F354 HydrophobicContact CD2-CE2 4.23Å; Y291-I377 HydrophobicContact CD1-CG2 3.72Å; Y291-I377 HydrophobicContact CE1-CG2 3.38Å; Y291-I377 HydrophobicContact CE2-CG2 4.33Å; Y291-I377 HydrophobicContact CG-CG2 4.35Å; Y291-Y378 WeakPolarHBondContact OH-CA 3.48Å; Y291-Y378 WeakPolarHBondContact OH-CB 3.19Å; Y291-W381 HydrophobicContact CE1-CB 4.04Å
292	E	91.2	Very high	89.6	Confident	34 Å²	34	47.2 Å²	47.2	16%	0.159	23%	0.232	C	C	.	.	H	α-helix	trans	-69.1	-36.1	173.5	-65.4	-164.9	150.8	0	0	111.9	F288 E289 T296 C297 R298 Y299	F288-E292 WeakPolarHBondContact O-CG 2.96Å; F288-E292 PolarHBondContact O-N 3.05Å; E289-E292 PolarHBondContact O-N 2.72Å; E292-T296 VanDerWaalsContact O-CA 3.24Å; E292-T296 WeakPolarHBondContact O-CA 3.3Å; E292-T296 PolarHBondContact O-N 2.71Å; E292-C297 PolarHBondContact O-N 2.87Å; E292-R298 VanDerWaalsContact CD-CD 3.41Å; E292-R298 VanDerWaalsContact OE1-CA 3.24Å; E292-R298 WeakPolarHBondContact OE1-CA 3.13Å; E292-R298 WeakPolarHBondContact OE1-CD 3.21Å; E292-R298 IonicContact OE1-NH1 3.58Å; E292-R298 VanDerWaalsContact OE2-CD 3.24Å; E292-R298 WeakPolarHBondContact OE2-CD 3.39Å; E292-R298 IonicContact OE2-CZ 3.75Å; E292-R298 IonicContact OE2-NE 2.83Å; E292-R298 IonicContact OE2-NH1 3.17Å; E292-R298 PolarHBondContact OE2-NH1 3.26Å; E292-Y299 PolarHBondContact OE1-N 3.22Å
293	E	92.3	Very high	89.7	Confident	125 Å²	125	46.5 Å²	46.5	58%	0.584	23%	0.227	S	C	*	.	H	α-helix	trans	-59.2	-54	170.1	-174.6	-172.1	-165.9	0	0	110.9	E289 T296	E289-E293 WeakPolarHBondContact O-CB 3.12Å; E289-E293 PolarHBondContact O-N 3.09Å; E293-T296 WeakPolarHBondContact O-CG2 3.45Å; E293-T296 PolarHBondContact O-N 3.02Å
294	I	90.5	Very high	90	Very high	25 Å²	25	43.3 Å²	43.3	13%	0.128	22%	0.215	C	C	.	.	H	α-helix	trans	-69.5	-41.1	-175.4	-79.2	-169.3	0	0	0	113.4	F290 T296 L380 L470	F290-I294 HydrophobicContact CD1-CD1 4.11Å; F290-I294 HydrophobicContact CE1-CD1 3.35Å; F290-I294 HydrophobicContact CE1-CG1 4.32Å; F290-I294 HydrophobicContact CE2-CD1 3.89Å; F290-I294 HydrophobicContact CE2-CG1 4.46Å; F290-I294 HydrophobicContact CZ-CD1 3.25Å; F290-I294 HydrophobicContact CZ-CG1 4.24Å; F290-I294 WeakPolarHBondContact O-CB 3.46Å; F290-I294 WeakPolarHBondContact O-CG1 3.23Å; F290-I294 PolarHBondContact O-N 3.06Å; I294-T296 VanDerWaalsContact C-N 3.32Å; I294-L380 HydrophobicContact CD1-CB 4.12Å; I294-L380 HydrophobicContact CD1-CD1 3.97Å; I294-L470 HydrophobicContact CG2-CD2 3.7Å
295	L	88.7	Confident	90.2	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-84.3	-12.2	-178.7	-60.5	175.1	0	0	0	111.9	Y291 C297 F354 F355 I377 F473 L477	Y291-L295 WeakPolarHBondContact O-CB 3.35Å; Y291-L295 VanDerWaalsContact O-CG 3.27Å; Y291-L295 WeakPolarHBondContact O-CG 3.28Å; Y291-L295 PolarHBondContact O-N 3.33Å; L295-C297 HydrophobicContact CB-CB 4.27Å; L295-C297 PolarHBondContact O-N 3.35Å; L295-F354 HydrophobicContact CD1-CD1 3.81Å; L295-F354 HydrophobicContact CD1-CD2 4.23Å; L295-F354 HydrophobicContact CD1-CE1 3.89Å; L295-F354 HydrophobicContact CD1-CE2 4.33Å; L295-F354 HydrophobicContact CD1-CG 3.98Å; L295-F354 HydrophobicContact CD1-CZ 4.15Å; L295-F355 HydrophobicContact CD1-CE2 4.18Å; L295-F355 HydrophobicContact CD2-CE2 4.01Å; L295-F355 HydrophobicContact CD2-CZ 4.17Å; L295-I377 HydrophobicContact CD2-CD1 4.02Å; L295-F473 HydrophobicContact CD2-CB 4.2Å; L295-F473 HydrophobicContact CD2-CD2 4.07Å; L295-L477 HydrophobicContact CB-CD1 3.86Å; L295-L477 HydrophobicContact CD1-CD1 4.01Å; L295-L477 HydrophobicContact CD2-CD1 3.97Å; L295-L477 HydrophobicContact CG-CD1 4.15Å
296	T	89.3	Confident	90.4	Very high	94 Å²	94	42.1 Å²	42.1	58%	0.577	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	35	-173.9	53.6	0	0	0	0	112.3	E292 E293 I294 N474	E292-T296 VanDerWaalsContact O-CA 3.24Å; E292-T296 WeakPolarHBondContact O-CA 3.3Å; E292-T296 PolarHBondContact O-N 2.71Å; E293-T296 WeakPolarHBondContact O-CG2 3.45Å; E293-T296 PolarHBondContact O-N 3.02Å; I294-T296 VanDerWaalsContact C-N 3.32Å; T296-N474 PolarHBondContact OG1-ND2 2.85Å
297	C	85.7	Confident	90.5	Very high	36 Å²	36	38.8 Å²	38.8	24%	0.243	19%	0.193	C	C	.	.	S	Bend	trans	-148.7	134.9	-168.9	-164.3	0	0	0	0	109	E292 L295 L477	E292-C297 PolarHBondContact O-N 2.87Å; L295-C297 HydrophobicContact CB-CB 4.27Å; L295-C297 PolarHBondContact O-N 3.35Å; C297-L477 HydrophobicContact CB-CD1 4.31Å
298	R	88.5	Confident	90.6	Very high	187 Å²	187	38.8 Å²	38.8	71%	0.706	19%	0.193	S	C	*	.			trans	-67	156.2	174.8	-71.4	-63	-171.9	169.9	-10.7	111.4	E292	E292-R298 VanDerWaalsContact CD-CD 3.41Å; E292-R298 VanDerWaalsContact OE1-CA 3.24Å; E292-R298 WeakPolarHBondContact OE1-CA 3.13Å; E292-R298 WeakPolarHBondContact OE1-CD 3.21Å; E292-R298 IonicContact OE1-NH1 3.58Å; E292-R298 VanDerWaalsContact OE2-CD 3.24Å; E292-R298 WeakPolarHBondContact OE2-CD 3.39Å; E292-R298 IonicContact OE2-CZ 3.75Å; E292-R298 IonicContact OE2-NE 2.83Å; E292-R298 IonicContact OE2-NH1 3.17Å; E292-R298 PolarHBondContact OE2-NH1 3.26Å
299	Y	89.6	Confident	90.5	Very high	23 Å²	23	38.4 Å²	38.4	9%	0.09	19%	0.191	C	C	.	.			trans	-53.8	128.7	169.9	-175.8	-115.8	0	0	0	110.6	F288 E292 Y301 F304 L350 Q353 F354	F288-Y299 HydrophobicContact CD1-CG 4.49Å; F288-Y299 HydrophobicContact CE1-CD1 4.2Å; F288-Y299 AromaticContact CE1-CD2 3.74Å; F288-Y299 HydrophobicContact CE1-CD2 3.74Å; F288-Y299 HydrophobicContact CE1-CE2 4.19Å; F288-Y299 AromaticContact CE1-CG 3.76Å; F288-Y299 HydrophobicContact CE1-CG 3.76Å; E292-Y299 PolarHBondContact OE1-N 3.22Å; Y299-Y301 VanDerWaalsContact C-N 3.32Å; Y299-Y301 WeakPolarHBondContact CD1-O 3.37Å; Y299-Y301 HydrophobicContact CE1-CD2 4.08Å; Y299-Y301 HydrophobicContact CE1-CG 4.38Å; Y299-Y301 HydrophobicContact CE2-CD2 4.15Å; Y299-Y301 AromaticContact CZ-CD2 3.66Å; Y299-Y301 PolarHBondContact O-N 2.76Å; Y299-Y301 WeakPolarHBondContact OH-CD2 3.39Å; Y299-F304 HydrophobicContact CE1-CB 4.03Å; Y299-F304 HydrophobicContact CE2-CD2 4.47Å; Y299-F304 AromaticContact CZ-CD2 3.97Å; Y299-L350 HydrophobicContact CD2-CD1 4.06Å; Y299-L350 HydrophobicContact CE2-CD1 3.68Å; Y299-Q353 PolarHBondContact OH-OE1 2.75Å; Y299-F354 HydrophobicContact CD2-CE1 4.39Å; Y299-F354 AromaticContact CD2-CE2 3.96Å; Y299-F354 HydrophobicContact CD2-CE2 3.96Å; Y299-F354 AromaticContact CD2-CZ 3.81Å; Y299-F354 HydrophobicContact CD2-CZ 3.81Å
300	P	85.8	Confident	90.3	Very high	32 Å²	32	35 Å²	35	21%	0.208	18%	0.177	C	C	.	.	S	Bend	trans	-82.3	-3.8	-166.5	31.2	-37.3	0	0	0	114.8	I240 F354 F358	I240-P300 WeakPolarHBondContact CD1-O 3.43Å; P300-F354 HydrophobicContact CG-CD1 4.38Å; P300-F354 HydrophobicContact CG-CE1 4.47Å; P300-F358 HydrophobicContact CB-CD1 3.91Å; P300-F358 HydrophobicContact CB-CD2 3.78Å; P300-F358 HydrophobicContact CB-CE1 3.84Å; P300-F358 HydrophobicContact CB-CE2 3.72Å; P300-F358 HydrophobicContact CB-CG 3.87Å; P300-F358 HydrophobicContact CB-CZ 3.74Å; P300-F358 HydrophobicContact CG-CB 3.99Å; P300-F358 HydrophobicContact CG-CD1 3.82Å; P300-F358 HydrophobicContact CG-CD2 3.99Å; P300-F358 HydrophobicContact CG-CE1 4.25Å; P300-F358 HydrophobicContact CG-CE2 4.42Å; P300-F358 HydrophobicContact CG-CG 3.66Å
301	Y	88	Confident	89.9	Confident	8 Å²	8	34.9 Å²	34.9	3%	0.031	18%	0.177	C	C	.	.	S	Bend	trans	-110.9	153.8	173.6	-53.1	-90.8	0	0	0	109.9	L238 I240 T242 Y299 C303 A320 C357 F358	L238-Y301 HydrophobicContact CD1-CD1 4.31Å; L238-Y301 HydrophobicContact CD1-CE1 4.31Å; I240-Y301 HydrophobicContact CB-CD1 4.38Å; I240-Y301 HydrophobicContact CB-CE1 4.24Å; I240-Y301 HydrophobicContact CD1-CD1 3.48Å; I240-Y301 VanDerWaalsContact CD1-CD1 3.48Å; I240-Y301 HydrophobicContact CD1-CE1 4.13Å; I240-Y301 HydrophobicContact CD1-CG 4.12Å; I240-Y301 HydrophobicContact CG2-CD1 4.4Å; I240-Y301 HydrophobicContact CG2-CE1 3.9Å; T242-Y301 HydrophobicContact CG2-CE1 4.17Å; Y299-Y301 VanDerWaalsContact C-N 3.32Å; Y299-Y301 WeakPolarHBondContact CD1-O 3.37Å; Y299-Y301 HydrophobicContact CE1-CD2 4.08Å; Y299-Y301 HydrophobicContact CE1-CG 4.38Å; Y299-Y301 HydrophobicContact CE2-CD2 4.15Å; Y299-Y301 AromaticContact CZ-CD2 3.66Å; Y299-Y301 PolarHBondContact O-N 2.76Å; Y299-Y301 WeakPolarHBondContact OH-CD2 3.39Å; Y301-C303 VanDerWaalsContact C-N 3.32Å; Y301-C303 PolarHBondContact O-N 2.96Å; Y301-A320 HydrophobicContact CE1-CB 3.93Å; Y301-C357 VanDerWaalsContact OH-C 3.24Å; Y301-C357 PolarHBondContact OH-O 2.88Å; Y301-F358 HydrophobicContact CE2-CB 4.26Å; Y301-F358 PolarHBondContact OH-N 2.9Å
302	S	87.6	Confident	89.3	Confident	55 Å²	55	35.3 Å²	35.3	39%	0.385	18%	0.18	S	C	.	.	S	Bend	trans	-68	-20.4	-179.6	42.1	0	0	0	0	115.7	D219	D219-S302 VanDerWaalsContact CG-OG 3.23Å; D219-S302 VanDerWaalsContact OD1-CB 3.22Å; D219-S302 WeakPolarHBondContact OD1-CB 3.4Å; D219-S302 PolarHBondContact OD1-OG 3.24Å; D219-S302 PolarHBondContact OD2-OG 2.94Å
303	C	88.3	Confident	88.8	Confident	20 Å²	20	34.6 Å²	34.6	14%	0.135	18%	0.176	C	C	.	.			trans	-154.7	155.3	177.3	59	0	0	0	0	111.1	E264 Y301 K305 S321	E264-C303 CarbonylContact O-C 3.56Å; E264-C303 VanDerWaalsContact O-CA 3.24Å; E264-C303 WeakPolarHBondContact O-CA 3.37Å; E264-C303 WeakPolarHBondContact O-CB 3.49Å; Y301-C303 VanDerWaalsContact C-N 3.32Å; Y301-C303 PolarHBondContact O-N 2.96Å; C303-K305 VanDerWaalsContact SG-CE 3.55Å; C303-S321 WeakPolarHBondContact O-CB 3.41Å
304	F	92.5	Very high	88.3	Confident	2 Å²	2	30 Å²	30	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.5	174.1	177.1	-93.7	0	0	0	110.4	E264 V265 T266 L284 F288 Y299 T306 S323 L350	E264-F304 PolarHBondContact O-N 3.09Å; V265-F304 WeakPolarHBondContact CA-O 3.2Å; V265-F304 HydrophobicContact CG1-CD1 3.95Å; T266-F304 PolarHBondContact N-O 3.29Å; L284-F304 HydrophobicContact CD2-CD1 4.02Å; L284-F304 HydrophobicContact CD2-CE1 3.58Å; F288-F304 HydrophobicContact CE2-CB 4.47Å; F288-F304 HydrophobicContact CE2-CD1 4.13Å; F288-F304 HydrophobicContact CE2-CE1 4.47Å; F288-F304 HydrophobicContact CE2-CG 4.19Å; F288-F304 HydrophobicContact CZ-CB 3.75Å; F288-F304 HydrophobicContact CZ-CD1 4.04Å; F288-F304 AromaticContact CZ-CD2 3.85Å; F288-F304 HydrophobicContact CZ-CD2 3.85Å; F288-F304 HydrophobicContact CZ-CE2 4.42Å; F288-F304 AromaticContact CZ-CG 3.63Å; F288-F304 HydrophobicContact CZ-CG 3.63Å; Y299-F304 HydrophobicContact CE1-CB 4.03Å; Y299-F304 HydrophobicContact CE2-CD2 4.47Å; Y299-F304 AromaticContact CZ-CD2 3.97Å; F304-T306 HydrophobicContact CD1-CG2 4.04Å; F304-T306 HydrophobicContact CE1-CG2 3.28Å; F304-T306 HydrophobicContact CZ-CG2 4.03Å; F304-S323 VanDerWaalsContact CZ-OG 3.28Å; F304-S323 WeakPolarHBondContact CZ-OG 3.48Å; F304-L350 HydrophobicContact CD2-CD1 4.08Å; F304-L350 HydrophobicContact CE2-CD1 3.86Å
305	K	93.6	Very high	87.8	Confident	12 Å²	12	32.9 Å²	32.9	5%	0.052	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.6	-178.5	-56.5	174.8	-159.4	169.7	0	110.8	V215 S216 G218 Y236 T266 F268 C303 S321 M322 S323	V215-K305 HydrophobicContact CG1-CB 4.48Å; V215-K305 HydrophobicContact CG1-CD 3.9Å; S216-K305 PolarHBondContact O-NZ 2.94Å; G218-K305 PolarHBondContact O-NZ 3.11Å; Y236-K305 VanDerWaalsContact CE1-NZ 3.26Å; T266-K305 CarbonylContact O-C 3.45Å; T266-K305 VanDerWaalsContact O-CA 3.27Å; T266-K305 WeakPolarHBondContact O-CA 3.46Å; F268-K305 HydrophobicContact CE2-CB 4.19Å; F268-K305 HydrophobicContact CE2-CD 4.44Å; F268-K305 HydrophobicContact CE2-CG 4.23Å; C303-K305 VanDerWaalsContact SG-CE 3.55Å; K305-S321 PolarHBondContact N-O 3.01Å; K305-M322 HydrophobicContact CB-CB 4.18Å; K305-M322 HydrophobicContact CB-CG 3.96Å; K305-M322 HydrophobicContact CB-SD 4.46Å; K305-M322 CarbonylContact O-C 3.58Å; K305-M322 VanDerWaalsContact O-CA 3.31Å; K305-M322 WeakPolarHBondContact O-CA 3.23Å; K305-S323 PolarHBondContact O-N 2.68Å; K305-S323 PolarHBondContact O-OG 3.09Å
306	T	93.4	Very high	87.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	134.2	165	73.5	0	0	0	0	110.3	T266 H267 F268 L284 F304 S323 F325	T266-T306 PolarHBondContact O-N 3.34Å; H267-T306 WeakPolarHBondContact ND1-CG2 3.32Å; H267-T306 PolarHBondContact ND1-OG1 3.14Å; F268-T306 PolarHBondContact N-O 2.83Å; L284-T306 HydrophobicContact CD2-CG2 4.5Å; F304-T306 HydrophobicContact CD1-CG2 4.04Å; F304-T306 HydrophobicContact CE1-CG2 3.28Å; F304-T306 HydrophobicContact CZ-CG2 4.03Å; T306-S323 CarbonylContact C-O 3.53Å; T306-S323 WeakPolarHBondContact CA-O 3.47Å; T306-F325 HydrophobicContact CG2-CE2 3.79Å
307	V	94	Very high	87.4	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119.4	170.7	-161.4	0	0	0	0	109.3	V215 A250 F254 F268 I309 M322 S323 I324 F325	V215-V307 HydrophobicContact CB-CG2 4.22Å; V215-V307 HydrophobicContact CG1-CG2 4.01Å; A250-V307 HydrophobicContact CB-CB 4.43Å; A250-V307 HydrophobicContact CB-CG1 3.95Å; A250-V307 HydrophobicContact CB-CG2 4.32Å; F254-V307 HydrophobicContact CD1-CG1 4.29Å; F254-V307 HydrophobicContact CE1-CG1 3.69Å; F254-V307 HydrophobicContact CE2-CG1 4.03Å; F254-V307 HydrophobicContact CZ-CG1 3.54Å; F268-V307 HydrophobicContact CB-CB 4.43Å; F268-V307 HydrophobicContact CB-CG1 4.02Å; F268-V307 HydrophobicContact CB-CG2 4.29Å; F268-V307 HydrophobicContact CD2-CG2 4.32Å; F268-V307 WeakPolarHBondContact O-CA 3.17Å; V307-I309 HydrophobicContact CB-CD1 4.13Å; V307-I309 HydrophobicContact CB-CG1 4.13Å; V307-I309 HydrophobicContact CG1-CD1 3.7Å; V307-I309 HydrophobicContact CG1-CG1 3.58Å; V307-M322 HydrophobicContact CG2-CG 4.27Å; V307-M322 HydrophobicContact CG2-SD 3.8Å; V307-S323 PolarHBondContact N-O 3.19Å; V307-I324 HydrophobicContact CB-CG1 4.48Å; V307-I324 WeakPolarHBondContact O-CA 3.44Å; V307-F325 PolarHBondContact O-N 3.32Å
308	F	93.7	Very high	87.6	Confident	2 Å²	2	29 Å²	29	1%	0.009	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	117.4	173.6	-70.3	-91.9	0	0	0	109.4	F268 C269 L277 T280 F325 T327 L329 L330	F268-F308 PolarHBondContact O-N 2.78Å; C269-F308 HydrophobicContact CB-CB 4.39Å; L277-F308 HydrophobicContact CD1-CD2 3.56Å; L277-F308 HydrophobicContact CD1-CE2 3.39Å; L277-F308 HydrophobicContact CD1-CZ 4.3Å; T280-F308 HydrophobicContact CG2-CZ 4.25Å; F308-F325 HydrophobicContact CD1-CB 3.64Å; F308-F325 HydrophobicContact CD1-CG 4.43Å; F308-F325 HydrophobicContact CE1-CB 3.67Å; F308-F325 HydrophobicContact CE1-CD2 4.16Å; F308-F325 HydrophobicContact CE1-CG 4.03Å; F308-F325 HydrophobicContact CE2-CD2 4.3Å; F308-F325 HydrophobicContact CG-CB 4.33Å; F308-F325 HydrophobicContact CZ-CB 4.36Å; F308-F325 AromaticContact CZ-CD2 3.99Å; F308-F325 HydrophobicContact CZ-CD2 3.99Å; F308-F325 HydrophobicContact CZ-CG 4.3Å; F308-T327 HydrophobicContact CB-CG2 4.41Å; F308-L329 HydrophobicContact CE1-CB 4.37Å; F308-L330 HydrophobicContact CB-CD1 4.03Å; F308-L330 HydrophobicContact CB-CG 4.37Å; F308-L330 HydrophobicContact CD1-CD1 4.26Å; F308-L330 HydrophobicContact CD1-CD2 3.62Å; F308-L330 HydrophobicContact CD1-CG 3.66Å; F308-L330 HydrophobicContact CD2-CD2 4.05Å; F308-L330 HydrophobicContact CE1-CD2 3.71Å; F308-L330 HydrophobicContact CE1-CG 4.11Å; F308-L330 HydrophobicContact CE2-CD2 4.13Å; F308-L330 HydrophobicContact CG-CD1 4.17Å; F308-L330 HydrophobicContact CG-CD2 3.8Å; F308-L330 HydrophobicContact CG-CG 4.01Å; F308-L330 HydrophobicContact CZ-CD2 3.96Å
309	I	91	Very high	87.6	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	145.2	-169.6	-45.7	-174.8	0	0	0	110.2	H176 F178 A250 V307 I324 F325 S326 T327	H176-I309 WeakPolarHBondContact CD2-CG2 3.41Å; H176-I309 WeakPolarHBondContact NE2-CG2 3.44Å; F178-I309 HydrophobicContact CB-CD1 3.72Å; F178-I309 HydrophobicContact CD1-CG2 3.49Å; F178-I309 VanDerWaalsContact CD1-CG2 3.49Å; F178-I309 HydrophobicContact CD2-CD1 4.46Å; F178-I309 HydrophobicContact CE1-CG2 3.66Å; F178-I309 HydrophobicContact CG-CD1 4.02Å; F178-I309 HydrophobicContact CG-CG2 4Å; F178-I309 HydrophobicContact CZ-CG2 4.34Å; A250-I309 HydrophobicContact CB-CD1 3.63Å; V307-I309 HydrophobicContact CB-CD1 4.13Å; V307-I309 HydrophobicContact CB-CG1 4.13Å; V307-I309 HydrophobicContact CG1-CD1 3.7Å; V307-I309 HydrophobicContact CG1-CG1 3.58Å; I309-I324 HydrophobicContact CB-CG2 4.44Å; I309-I324 HydrophobicContact CD1-CD1 4.24Å; I309-I324 HydrophobicContact CD1-CG1 4.39Å; I309-I324 HydrophobicContact CD1-CG2 3.63Å; I309-I324 HydrophobicContact CG1-CG2 4.01Å; I309-F325 PolarHBondContact N-O 3.26Å; I309-S326 WeakPolarHBondContact O-CA 3.29Å; I309-T327 PolarHBondContact O-N 3Å; I309-T327 PolarHBondContact O-OG1 3.37Å
310	D	87.9	Confident	87.6	Confident	56 Å²	56	20 Å²	20	30%	0.299	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	163	175.5	-157.7	1.4	0	0	0	111.6	F178 L270 A312 T327	F178-D310 WeakPolarHBondContact CE1-O 3.38Å; L270-D310 HydrophobicContact CD1-CB 4.48Å; D310-A312 PolarHBondContact O-N 2.83Å; D310-T327 WeakPolarHBondContact CA-OG1 3.48Å
311	E	82.8	Confident	87.8	Confident	20 Å²	20	18.6 Å²	18.6	9%	0.093	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	24.7	-178	-54.5	-165.1	158.4	0	0	115	H160 V162 Y313 Y880 V919	H160-E311 IonicContact CD2-OE2 2.87Å; H160-E311 IonicContact CE1-OE2 3.86Å; H160-E311 IonicContact NE2-OE2 3.92Å; H160-E311 PolarHBondContact NE2-OE2 3.32Å; V162-E311 HydrophobicContact CG2-CB 4.17Å; V162-E311 HydrophobicContact CG2-CG 4.3Å; E311-Y313 PolarHBondContact O-N 2.96Å; E311-Y880 VanDerWaalsContact OE1-CE2 3.31Å; E311-Y880 WeakPolarHBondContact OE1-CE2 3.45Å; E311-Y880 PolarHBondContact OE1-OH 3.13Å; E311-V919 HydrophobicContact CB-CG1 4.27Å; E311-V919 HydrophobicContact CG-CG1 4.39Å; E311-V919 HydrophobicContact CG-CG2 4.47Å; E311-V919 WeakPolarHBondContact OE1-CG2 3.26Å
312	A	81.4	Confident	88	Confident	9 Å²	9	18.2 Å²	18.2	7%	0.074	10%	0.104	C	C	.	.			trans	-53.9	134.3	-173.6	0	0	0	0	0	113.7	D310 V314	D310-A312 PolarHBondContact O-N 2.83Å; A312-V314 PolarHBondContact O-N 3.11Å
313	Y	79.3	Confident	88.3	Confident	19 Å²	19	15.6 Å²	15.6	8%	0.075	9%	0.085	C	C	.	.	S	Bend	trans	-63.3	-40.4	-173.3	-178.8	-94.5	0	0	0	113.4	C180 E311 P920 D964 R966	C180-Y313 WeakPolarHBondContact SG-CD2 3.25Å; E311-Y313 PolarHBondContact O-N 2.96Å; Y313-P920 HydrophobicContact CD2-CB 4.12Å; Y313-P920 HydrophobicContact CE2-CB 4.44Å; Y313-D964 WeakPolarHBondContact CE2-OD2 3.28Å; Y313-D964 PolarHBondContact OH-OD1 3.1Å; Y313-R966 VanDerWaalsContact CE2-CZ 3.41Å; Y313-R966 PolarHBondContact O-NH1 3.14Å; Y313-R966 WeakPolarHBondContact OH-CD 3.47Å; Y313-R966 PolarHBondContact OH-NE 3.1Å
314	V	81.9	Confident	88.5	Confident	28 Å²	28	14.9 Å²	14.9	17%	0.17	8%	0.08	C	C	.	.	S	Bend	trans	-133.4	147.5	167.9	175.1	0	0	0	0	106.1	A312 V316 W443	A312-V314 PolarHBondContact O-N 3.11Å; V314-V316 WeakPolarHBondContact CG1-O 3.42Å; V314-V316 PolarHBondContact O-N 2.84Å; V314-V316 VanDerWaalsContact O-N 3.13Å; V314-W443 HydrophobicContact CG2-CH2 3.77Å; V314-W443 HydrophobicContact CG2-CZ2 4.22Å
315	E	80.1	Confident	88.4	Confident	87 Å²	87	14.8 Å²	14.8	41%	0.407	8%	0.08	S	C	.	.	S	Bend	trans	-55.6	-30.6	-178.5	-68.9	141.5	-133	0	0	113.5	F325 S326 Y921	E315-F325 WeakPolarHBondContact O-CA 3.38Å; E315-S326 PolarHBondContact O-N 3.02Å; E315-S326 VanDerWaalsContact O-N 3.15Å; E315-Y921 HydrophobicContact CG-CE2 4.4Å; E315-Y921 WeakPolarHBondContact OE1-CE2 3.34Å; E315-Y921 PolarHBondContact OE1-OH 2.78Å
316	V	84.3	Confident	88.3	Confident	15 Å²	15	14.7 Å²	14.7	9%	0.091	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	121.6	176	-178	0	0	0	0	109.9	V314 F325 L329 C345	V314-V316 WeakPolarHBondContact CG1-O 3.42Å; V314-V316 PolarHBondContact O-N 2.84Å; V314-V316 VanDerWaalsContact O-N 3.13Å; V316-F325 HydrophobicContact CG1-CD1 4.36Å; V316-F325 HydrophobicContact CG1-CE1 3.97Å; V316-F325 HydrophobicContact CG2-CD1 4.11Å; V316-F325 HydrophobicContact CG2-CE1 4.21Å; V316-L329 HydrophobicContact CG2-CD1 4.37Å; V316-C345 HydrophobicContact CG2-CB 3.54Å
317	A	86.6	Confident	88.1	Confident	14 Å²	14	15.7 Å²	15.7	12%	0.116	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.4	170	0	0	0	0	0	110.5	Y319 S323 I324	A317-Y319 HydrophobicContact CB-CD2 4.42Å; A317-Y319 HydrophobicContact CB-CE2 3.64Å; A317-S323 WeakPolarHBondContact O-CA 3.41Å; A317-I324 HydrophobicContact CB-CB 4.42Å; A317-I324 PolarHBondContact N-O 2.77Å; A317-I324 PolarHBondContact O-N 3.19Å
318	A	88.8	Confident	87.8	Confident	21 Å²	21	16.9 Å²	16.9	17%	0.174	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130	179.2	0	0	0	0	0	111	Q352 Q353	A318-Q352 HydrophobicContact CB-CB 3.85Å; A318-Q353 HydrophobicContact CB-CG 4.19Å
319	Y	90	Very high	87.5	Confident	21 Å²	21	17.4 Å²	17.4	8%	0.082	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	171.6	179.4	-61	-78	0	0	0	110.1	G181 N246 S248 A317 S321 M322 I324 Q353	G181-Y319 PolarHBondContact O-OH 3.09Å; N246-Y319 WeakPolarHBondContact O-CB 3.34Å; S248-Y319 WeakPolarHBondContact OG-CB 3.48Å; S248-Y319 VanDerWaalsContact OG-CD2 3.24Å; S248-Y319 WeakPolarHBondContact OG-CD2 3.26Å; A317-Y319 HydrophobicContact CB-CD2 4.42Å; A317-Y319 HydrophobicContact CB-CE2 3.64Å; Y319-S321 PolarHBondContact O-N 3.39Å; Y319-M322 CarbonylContact C-O 3.59Å; Y319-M322 VanDerWaalsContact C-O 3.3Å; Y319-M322 WeakPolarHBondContact CA-O 3.4Å; Y319-M322 WeakPolarHBondContact CB-O 3.29Å; Y319-M322 PolarHBondContact N-O 3.26Å; Y319-M322 PolarHBondContact O-N 2.82Å; Y319-I324 HydrophobicContact CD2-CD1 4.4Å; Y319-I324 HydrophobicContact CD2-CG1 4.37Å; Y319-I324 HydrophobicContact CE2-CB 4.44Å; Y319-I324 HydrophobicContact CE2-CD1 3.98Å; Y319-I324 HydrophobicContact CE2-CG1 4.23Å; Y319-Q353 WeakPolarHBondContact O-CG 3.29Å; Y319-Q353 PolarHBondContact O-NE2 3.15Å
320	A	88.6	Confident	87.4	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	126.3	-179.6	0	0	0	0	0	110.9	N217 L238 T242 N246 Y301 M322 C357	N217-A320 VanDerWaalsContact CB-O 3.3Å; N217-A320 WeakPolarHBondContact CB-O 3.43Å; N217-A320 PolarHBondContact ND2-O 2.94Å; L238-A320 HydrophobicContact CD2-CB 4.02Å; T242-A320 HydrophobicContact CG2-CB 4.08Å; N246-A320 HydrophobicContact CB-CB 4.32Å; N246-A320 PolarHBondContact O-N 3.37Å; N246-A320 VanDerWaalsContact O-N 3.12Å; Y301-A320 HydrophobicContact CE1-CB 3.93Å; A320-M322 PolarHBondContact O-N 3.45Å; A320-C357 HydrophobicContact CB-CB 4.42Å
321	S	90.1	Very high	87.4	Confident	1 Å²	1	15.2 Å²	15.2	1%	0.007	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	1.6	-174.7	65.1	0	0	0	0	117.3	N217 G218 C303 K305 Y319	N217-S321 WeakPolarHBondContact CA-OG 3.43Å; G218-S321 PolarHBondContact N-OG 3.26Å; C303-S321 WeakPolarHBondContact O-CB 3.41Å; K305-S321 PolarHBondContact N-O 3.01Å; Y319-S321 PolarHBondContact O-N 3.39Å
322	M	92.8	Very high	87.7	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	145.2	-175.4	-173.1	163.5	72.4	0	0	112	V215 S248 K305 V307 Y319 A320 I324 Q353	V215-M322 HydrophobicContact CB-SD 4.22Å; V215-M322 HydrophobicContact CG1-SD 3.65Å; S248-M322 WeakPolarHBondContact OG-CE 3.38Å; K305-M322 HydrophobicContact CB-CB 4.18Å; K305-M322 HydrophobicContact CB-CG 3.96Å; K305-M322 HydrophobicContact CB-SD 4.46Å; K305-M322 CarbonylContact O-C 3.58Å; K305-M322 VanDerWaalsContact O-CA 3.31Å; K305-M322 WeakPolarHBondContact O-CA 3.23Å; V307-M322 HydrophobicContact CG2-CG 4.27Å; V307-M322 HydrophobicContact CG2-SD 3.8Å; Y319-M322 CarbonylContact C-O 3.59Å; Y319-M322 VanDerWaalsContact C-O 3.3Å; Y319-M322 WeakPolarHBondContact CA-O 3.4Å; Y319-M322 WeakPolarHBondContact CB-O 3.29Å; Y319-M322 PolarHBondContact N-O 3.26Å; Y319-M322 PolarHBondContact O-N 2.82Å; A320-M322 PolarHBondContact O-N 3.45Å; M322-I324 HydrophobicContact CE-CD1 4.47Å; M322-Q353 PolarHBondContact O-NE2 2.75Å
323	S	92.8	Very high	87.9	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	134.7	174.1	48.3	0	0	0	0	109.5	F304 K305 T306 V307 A317 F325	F304-S323 VanDerWaalsContact CZ-OG 3.28Å; F304-S323 WeakPolarHBondContact CZ-OG 3.48Å; K305-S323 PolarHBondContact O-N 2.68Å; K305-S323 PolarHBondContact O-OG 3.09Å; T306-S323 CarbonylContact C-O 3.53Å; T306-S323 WeakPolarHBondContact CA-O 3.47Å; V307-S323 PolarHBondContact N-O 3.19Å; A317-S323 WeakPolarHBondContact O-CA 3.41Å; S323-F325 WeakPolarHBondContact OG-CE2 3.46Å
324	I	92.9	Very high	88.2	Confident	6 Å²	6	22.5 Å²	22.5	3%	0.031	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129.8	176	-62.2	-179.5	0	0	0	107.7	V307 I309 A317 Y319 M322	V307-I324 HydrophobicContact CB-CG1 4.48Å; V307-I324 WeakPolarHBondContact O-CA 3.44Å; I309-I324 HydrophobicContact CB-CG2 4.44Å; I309-I324 HydrophobicContact CD1-CD1 4.24Å; I309-I324 HydrophobicContact CD1-CG1 4.39Å; I309-I324 HydrophobicContact CD1-CG2 3.63Å; I309-I324 HydrophobicContact CG1-CG2 4.01Å; A317-I324 HydrophobicContact CB-CB 4.42Å; A317-I324 PolarHBondContact N-O 2.77Å; A317-I324 PolarHBondContact O-N 3.19Å; Y319-I324 HydrophobicContact CD2-CD1 4.4Å; Y319-I324 HydrophobicContact CD2-CG1 4.37Å; Y319-I324 HydrophobicContact CE2-CB 4.44Å; Y319-I324 HydrophobicContact CE2-CD1 3.98Å; Y319-I324 HydrophobicContact CE2-CG1 4.23Å; M322-I324 HydrophobicContact CE-CD1 4.47Å
325	F	91.3	Very high	88.4	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	153.5	-178.5	-63	-77.5	0	0	0	110.5	T306 V307 F308 I309 E315 V316 S323 L329 L346 S349	T306-F325 HydrophobicContact CG2-CE2 3.79Å; V307-F325 PolarHBondContact O-N 3.32Å; F308-F325 HydrophobicContact CD1-CB 3.64Å; F308-F325 HydrophobicContact CD1-CG 4.43Å; F308-F325 HydrophobicContact CE1-CB 3.67Å; F308-F325 HydrophobicContact CE1-CD2 4.16Å; F308-F325 HydrophobicContact CE1-CG 4.03Å; F308-F325 HydrophobicContact CE2-CD2 4.3Å; F308-F325 HydrophobicContact CG-CB 4.33Å; F308-F325 HydrophobicContact CZ-CB 4.36Å; F308-F325 AromaticContact CZ-CD2 3.99Å; F308-F325 HydrophobicContact CZ-CD2 3.99Å; F308-F325 HydrophobicContact CZ-CG 4.3Å; I309-F325 PolarHBondContact N-O 3.26Å; E315-F325 WeakPolarHBondContact O-CA 3.38Å; V316-F325 HydrophobicContact CG1-CD1 4.36Å; V316-F325 HydrophobicContact CG1-CE1 3.97Å; V316-F325 HydrophobicContact CG2-CD1 4.11Å; V316-F325 HydrophobicContact CG2-CE1 4.21Å; S323-F325 WeakPolarHBondContact OG-CE2 3.46Å; F325-L329 HydrophobicContact CB-CD1 4.32Å; F325-L329 HydrophobicContact CD1-CD1 3.94Å; F325-L346 HydrophobicContact CE1-CD2 3.98Å; F325-L346 HydrophobicContact CE2-CD2 3.99Å; F325-L346 HydrophobicContact CZ-CD2 3.58Å; F325-S349 VanDerWaalsContact CZ-OG 3.28Å; F325-S349 WeakPolarHBondContact CZ-OG 3.16Å
326	S	90.9	Very high	88.6	Confident	9 Å²	9	18 Å²	18	6%	0.063	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	135.5	163.5	-178	0	0	0	0	110.8	I309 E315 N328 L329	I309-S326 WeakPolarHBondContact O-CA 3.29Å; E315-S326 PolarHBondContact O-N 3.02Å; E315-S326 VanDerWaalsContact O-N 3.15Å; S326-N328 PolarHBondContact O-N 2.93Å; S326-N328 VanDerWaalsContact O-N 3.09Å; S326-N328 VanDerWaalsContact OG-CB 3.29Å; S326-N328 WeakPolarHBondContact OG-CB 3.29Å; S326-N328 VanDerWaalsContact OG-CG 3.31Å; S326-N328 PolarHBondContact OG-N 3.05Å; S326-N328 VanDerWaalsContact OG-N 3.12Å; S326-L329 PolarHBondContact O-N 2.72Å
327	T	90.1	Very high	88.6	Confident	21 Å²	21	18.3 Å²	18.3	13%	0.129	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-48.5	-28.5	163.7	38.3	0	0	0	0	112.8	L270 L273 F308 I309 D310 L329 L330	L270-T327 HydrophobicContact CD1-CG2 4.45Å; L273-T327 HydrophobicContact CD1-CG2 4.05Å; F308-T327 HydrophobicContact CB-CG2 4.41Å; I309-T327 PolarHBondContact O-N 3Å; I309-T327 PolarHBondContact O-OG1 3.37Å; D310-T327 WeakPolarHBondContact CA-OG1 3.48Å; T327-L329 PolarHBondContact O-N 2.98Å; T327-L329 VanDerWaalsContact O-N 3.13Å; T327-L330 WeakPolarHBondContact O-CB 3.48Å; T327-L330 PolarHBondContact O-N 3.49Å
328	N	87.3	Confident	88.6	Confident	25 Å²	25	18.1 Å²	18.1	13%	0.134	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-55.3	-30.1	176.9	-67.1	4.4	0	0	0	112.9	S326 L330 Y846 R847 F883	S326-N328 PolarHBondContact O-N 2.93Å; S326-N328 VanDerWaalsContact O-N 3.09Å; S326-N328 VanDerWaalsContact OG-CB 3.29Å; S326-N328 WeakPolarHBondContact OG-CB 3.29Å; S326-N328 VanDerWaalsContact OG-CG 3.31Å; S326-N328 PolarHBondContact OG-N 3.05Å; S326-N328 VanDerWaalsContact OG-N 3.12Å; N328-L330 VanDerWaalsContact C-N 3.28Å; N328-L330 PolarHBondContact O-N 2.93Å; N328-Y846 PolarHBondContact O-OH 2.95Å; N328-R847 VanDerWaalsContact O-CZ 3.24Å; N328-R847 PolarHBondContact O-NE 3.34Å; N328-R847 PolarHBondContact O-NH2 3.08Å; N328-F883 WeakPolarHBondContact OD1-CE2 3.12Å; N328-F883 VanDerWaalsContact OD1-CZ 3.29Å; N328-F883 WeakPolarHBondContact OD1-CZ 3.09Å
329	L	87.3	Confident	88.4	Confident	13 Å²	13	18.6 Å²	18.6	7%	0.068	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-74.2	-16.4	-179.6	-63.9	178.9	0	0	0	113.5	F308 V316 F325 S326 T327 H331 T342 C345	F308-L329 HydrophobicContact CE1-CB 4.37Å; V316-L329 HydrophobicContact CG2-CD1 4.37Å; F325-L329 HydrophobicContact CB-CD1 4.32Å; F325-L329 HydrophobicContact CD1-CD1 3.94Å; S326-L329 PolarHBondContact O-N 2.72Å; T327-L329 PolarHBondContact O-N 2.98Å; T327-L329 VanDerWaalsContact O-N 3.13Å; L329-H331 PolarHBondContact O-N 2.81Å; L329-H331 PolarHBondContact O-ND1 3.45Å; L329-H331 VanDerWaalsContact O-ND1 3.1Å; L329-T342 HydrophobicContact CB-CG2 4.17Å; L329-T342 VanDerWaalsContact O-CG2 3.31Å; L329-T342 WeakPolarHBondContact O-CG2 3.36Å; L329-T342 PolarHBondContact O-OG1 3.07Å; L329-C345 HydrophobicContact CD1-CB 3.81Å
330	L	88.9	Confident	88.2	Confident	5 Å²	5	19.5 Å²	19.5	3%	0.026	12%	0.117	C	C	.	.			trans	-66	131.5	174.3	-63.8	173	0	0	0	109.8	L273 L276 L277 T280 F308 T327 N328 Y846	L273-L330 HydrophobicContact CB-CD1 4.14Å; L273-L330 HydrophobicContact CD1-CD1 3.96Å; L276-L330 HydrophobicContact CB-CB 4.16Å; L277-L330 HydrophobicContact CB-CD2 4.28Å; L277-L330 HydrophobicContact CD1-CD2 3.95Å; T280-L330 HydrophobicContact CG2-CD2 4.16Å; F308-L330 HydrophobicContact CB-CD1 4.03Å; F308-L330 HydrophobicContact CB-CG 4.37Å; F308-L330 HydrophobicContact CD1-CD1 4.26Å; F308-L330 HydrophobicContact CD1-CD2 3.62Å; F308-L330 HydrophobicContact CD1-CG 3.66Å; F308-L330 HydrophobicContact CD2-CD2 4.05Å; F308-L330 HydrophobicContact CE1-CD2 3.71Å; F308-L330 HydrophobicContact CE1-CG 4.11Å; F308-L330 HydrophobicContact CE2-CD2 4.13Å; F308-L330 HydrophobicContact CG-CD1 4.17Å; F308-L330 HydrophobicContact CG-CD2 3.8Å; F308-L330 HydrophobicContact CG-CG 4.01Å; F308-L330 HydrophobicContact CZ-CD2 3.96Å; T327-L330 WeakPolarHBondContact O-CB 3.48Å; T327-L330 PolarHBondContact O-N 3.49Å; N328-L330 VanDerWaalsContact C-N 3.28Å; N328-L330 PolarHBondContact O-N 2.93Å; L330-Y846 WeakPolarHBondContact O-CE2 3.36Å; L330-Y846 PolarHBondContact O-OH 2.8Å
331	H	88	Confident	88.2	Confident	5 Å²	5	24 Å²	24	2%	0.023	14%	0.14	C	C	.	.			trans	-145.1	161.5	177.1	60.9	-76.3	0	0	0	111.3	T280 L329 I335 E338 T342 Y846	T280-H331 PolarHBondContact OG1-N 3.3Å; T280-H331 VanDerWaalsContact OG1-N 3.15Å; T280-H331 PolarHBondContact OG1-O 2.76Å; L329-H331 PolarHBondContact O-N 2.81Å; L329-H331 PolarHBondContact O-ND1 3.45Å; L329-H331 VanDerWaalsContact O-ND1 3.1Å; H331-I335 HydrophobicContact CB-CB 4.43Å; H331-I335 HydrophobicContact CB-CD1 4.13Å; H331-E338 HydrophobicContact CB-CB 4.32Å; H331-T342 VanDerWaalsContact CE1-CB 3.47Å; H331-T342 WeakPolarHBondContact CE1-CB 3.47Å; H331-T342 PolarHBondContact CE1-OG1 3.48Å; H331-T342 PolarHBondContact ND1-OG1 3.15Å; H331-Y846 HydrophobicContact CB-CE2 4.17Å
332	S	88.7	Confident	88.2	Confident	33 Å²	33	24 Å²	24	23%	0.231	14%	0.14	C	C	.	.			trans	-95.4	160.4	173.6	73.2	0	0	0	0	110.8	M334 I335	S332-M334 PolarHBondContact O-N 3.4Å; S332-M334 PolarHBondContact OG-N 3.22Å; S332-I335 PolarHBondContact O-N 3Å
333	A	85.3	Confident	88.1	Confident	58 Å²	58	25.9 Å²	25.9	48%	0.479	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-3.1	175.7	0	0	0	0	0	114.7	H279 F789	H279-A333 PolarHBondContact CD2-N 3.12Å; H279-A333 VanDerWaalsContact CD2-N 3.28Å; H279-A333 WeakPolarHBondContact NE2-CA 3.22Å; A333-F789 WeakPolarHBondContact O-CD1 3.22Å; A333-F789 WeakPolarHBondContact O-CE1 3.43Å
334	M	85.8	Confident	87.9	Confident	111 Å²	111	28.4 Å²	28.4	55%	0.547	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.4	174.8	-58.2	-178.7	176.4	0	0	113	S332 S790	S332-M334 PolarHBondContact O-N 3.4Å; S332-M334 PolarHBondContact OG-N 3.22Å; M334-S790 WeakPolarHBondContact O-CB 3.39Å; M334-S790 PolarHBondContact O-N 3.29Å; M334-S790 PolarHBondContact O-OG 3.28Å
335	I	86.5	Confident	87.8	Confident	8 Å²	8	29 Å²	29	4%	0.041	16%	0.161	C	C	.	.			trans	-115.9	109.6	-173.4	-62.1	157.3	0	0	0	109.8	H331 S332 E338 T339 Y793 Y846	H331-I335 HydrophobicContact CB-CB 4.43Å; H331-I335 HydrophobicContact CB-CD1 4.13Å; S332-I335 PolarHBondContact O-N 3Å; I335-E338 HydrophobicContact CG2-CB 3.99Å; I335-E338 HydrophobicContact CG2-CG 3.81Å; I335-T339 PolarHBondContact O-OG1 3.46Å; I335-Y793 HydrophobicContact CG2-CE2 3.84Å; I335-Y846 HydrophobicContact CD1-CD1 4.11Å; I335-Y846 HydrophobicContact CD1-CD2 3.35Å; I335-Y846 HydrophobicContact CD1-CE2 3.84Å; I335-Y846 HydrophobicContact CD1-CG 3.47Å; I335-Y846 VanDerWaalsContact CD1-CG 3.47Å; I335-Y846 HydrophobicContact CG1-CG 4.41Å; I335-Y846 HydrophobicContact CG2-CD1 4.45Å
336	I	84.2	Confident	87.8	Confident	13 Å²	13	29.3 Å²	29.3	7%	0.067	16%	0.163	C	C	.	.	S	Bend	trans	-82	-49.1	-173.2	-58.2	169.9	0	0	0	111.2	E338 T339 F741 F744 Y747 F789	I336-E338 VanDerWaalsContact C-N 3.29Å; I336-E338 PolarHBondContact O-N 3Å; I336-T339 VanDerWaalsContact O-CB 3.29Å; I336-T339 WeakPolarHBondContact O-CB 3.4Å; I336-T339 PolarHBondContact O-N 3.45Å; I336-T339 VanDerWaalsContact O-N 3.1Å; I336-T339 PolarHBondContact O-OG1 2.91Å; I336-F741 HydrophobicContact CD1-CB 3.8Å; I336-F744 HydrophobicContact CD1-CD1 4.06Å; I336-F744 HydrophobicContact CD1-CE1 3.99Å; I336-F744 HydrophobicContact CG1-CE1 4.16Å; I336-F744 HydrophobicContact CG2-CD1 3.75Å; I336-F744 HydrophobicContact CG2-CE1 3.85Å; I336-F744 HydrophobicContact CG2-CG 4.28Å; I336-F744 HydrophobicContact CG2-CZ 4.46Å; I336-Y747 HydrophobicContact CB-CE1 4.3Å; I336-Y747 HydrophobicContact CD1-CD1 4.36Å; I336-Y747 HydrophobicContact CD1-CE1 4.47Å; I336-Y747 HydrophobicContact CG2-CD1 4.45Å; I336-Y747 HydrophobicContact CG2-CE1 4.41Å; I336-F789 HydrophobicContact CD1-CB 4.12Å; I336-F789 HydrophobicContact CD1-CD1 4.02Å; I336-F789 HydrophobicContact CD1-CD2 4.12Å; I336-F789 HydrophobicContact CD1-CE1 4.45Å; I336-F789 HydrophobicContact CD1-CG 3.85Å; I336-F789 HydrophobicContact CG1-CD1 3.81Å; I336-F789 HydrophobicContact CG1-CE1 4.15Å; I336-F789 HydrophobicContact CG1-CG 4.15Å
337	D	84.9	Confident	87.9	Confident	20 Å²	20	28.9 Å²	28.9	11%	0.107	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-32.5	-170.2	-61.1	-109.9	0	0	0	114.4	P340 Y747 K751 Y793	D337-P340 WeakPolarHBondContact O-CD 3.41Å; D337-Y747 VanDerWaalsContact OD2-CE1 3.28Å; D337-Y747 WeakPolarHBondContact OD2-CE1 3.44Å; D337-Y747 PolarHBondContact OD2-OH 2.89Å; D337-K751 IonicContact OD1-NZ 3.16Å; D337-K751 PolarHBondContact OD1-NZ 2.97Å; D337-Y793 HydrophobicContact CB-CD1 4.08Å; D337-Y793 HydrophobicContact CB-CD2 4.28Å; D337-Y793 HydrophobicContact CB-CE1 4.1Å; D337-Y793 HydrophobicContact CB-CE2 4.36Å; D337-Y793 HydrophobicContact CB-CG 4.17Å
338	E	86	Confident	88	Confident	11 Å²	11	29.8 Å²	29.8	5%	0.051	16%	0.162	C	C	.	.	H	α-helix	trans	-83.2	-16.4	-179.4	-63.8	-63.5	158.3	0	0	114.3	H331 I335 I336 L341 T342 Y793 Y846 R847	H331-E338 HydrophobicContact CB-CB 4.32Å; I335-E338 HydrophobicContact CG2-CB 3.99Å; I335-E338 HydrophobicContact CG2-CG 3.81Å; I336-E338 VanDerWaalsContact C-N 3.29Å; I336-E338 PolarHBondContact O-N 3Å; E338-L341 PolarHBondContact O-N 2.93Å; E338-T342 WeakPolarHBondContact O-CB 3.46Å; E338-T342 PolarHBondContact O-N 3.18Å; E338-T342 PolarHBondContact O-OG1 3.07Å; E338-Y793 WeakPolarHBondContact CG-OH 3.07Å; E338-Y793 PolarHBondContact OE1-OH 2.88Å; E338-Y846 HydrophobicContact CG-CD1 4.45Å; E338-Y846 HydrophobicContact CG-CE1 3.61Å; E338-R847 VanDerWaalsContact CD-CZ 3.48Å; E338-R847 IonicContact OE1-CZ 3.67Å; E338-R847 IonicContact OE1-NH1 3.71Å; E338-R847 PolarHBondContact OE1-NH1 3.17Å; E338-R847 IonicContact OE1-NH2 2.76Å; E338-R847 PolarHBondContact OE1-NH2 3.33Å; E338-R847 IonicContact OE2-CZ 3.35Å; E338-R847 IonicContact OE2-NH1 3.76Å; E338-R847 PolarHBondContact OE2-NH1 3.28Å; E338-R847 IonicContact OE2-NH2 3.22Å; E338-R847 PolarHBondContact OE2-NH2 3.36Å
339	T	85.1	Confident	88.1	Confident	30 Å²	30	28.6 Å²	28.6	18%	0.184	16%	0.156	C	C	.	.	H	α-helix	trans	-54.5	-52.4	-179.4	-66.1	0	0	0	0	111.8	I335 I336 R343	I335-T339 PolarHBondContact O-OG1 3.46Å; I336-T339 VanDerWaalsContact O-CB 3.29Å; I336-T339 WeakPolarHBondContact O-CB 3.4Å; I336-T339 PolarHBondContact O-N 3.45Å; I336-T339 VanDerWaalsContact O-N 3.1Å; I336-T339 PolarHBondContact O-OG1 2.91Å; T339-R343 VanDerWaalsContact CG2-NE 3.34Å; T339-R343 WeakPolarHBondContact O-CB 3.37Å; T339-R343 WeakPolarHBondContact O-CG 3.32Å; T339-R343 PolarHBondContact O-N 3.2Å
340	P	85.9	Confident	88.4	Confident	40 Å²	40	28 Å²	28	26%	0.26	15%	0.153	S	C	.	.	H	α-helix	trans	-69.4	-35.1	178.6	27	-35.7	0	0	0	113.7	D337 R344 F386	D337-P340 WeakPolarHBondContact O-CD 3.41Å; P340-R344 WeakPolarHBondContact O-CB 3.49Å; P340-R344 PolarHBondContact O-N 3.3Å; P340-F386 HydrophobicContact CB-CE1 4Å; P340-F386 HydrophobicContact CB-CZ 4.15Å
341	L	87.9	Confident	88.5	Confident	94 Å²	94	27.8 Å²	27.8	49%	0.492	15%	0.152	S	C	.	.	H	α-helix	trans	-65.3	-53.9	-179.3	-64.5	178	0	0	0	111	E338 R343 R344 C345	E338-L341 PolarHBondContact O-N 2.93Å; L341-R343 VanDerWaalsContact C-N 3.34Å; L341-R343 PolarHBondContact O-N 2.82Å; L341-R344 WeakPolarHBondContact O-CB 3.47Å; L341-R344 PolarHBondContact O-N 3.46Å; L341-R344 VanDerWaalsContact O-N 3.16Å; L341-C345 PolarHBondContact O-N 2.8Å; L341-C345 PolarHBondContact O-SG 3.44Å; L341-C345 VanDerWaalsContact O-SG 3.36Å
342	T	90.3	Very high	88.6	Confident	2 Å²	2	28.5 Å²	28.5	1%	0.012	16%	0.155	C	C	.	.	H	α-helix	trans	-59.5	-45.7	179.7	-55.4	0	0	0	0	111.6	T280 L329 H331 E338 R344 C345 L346	T280-T342 HydrophobicContact CG2-CG2 3.6Å; L329-T342 HydrophobicContact CB-CG2 4.17Å; L329-T342 VanDerWaalsContact O-CG2 3.31Å; L329-T342 WeakPolarHBondContact O-CG2 3.36Å; L329-T342 PolarHBondContact O-OG1 3.07Å; H331-T342 VanDerWaalsContact CE1-CB 3.47Å; H331-T342 WeakPolarHBondContact CE1-CB 3.47Å; H331-T342 PolarHBondContact CE1-OG1 3.48Å; H331-T342 PolarHBondContact ND1-OG1 3.15Å; E338-T342 WeakPolarHBondContact O-CB 3.46Å; E338-T342 PolarHBondContact O-N 3.18Å; E338-T342 PolarHBondContact O-OG1 3.07Å; T342-R344 PolarHBondContact O-N 3.21Å; T342-C345 WeakPolarHBondContact O-CB 3.35Å; T342-C345 PolarHBondContact O-N 3.5Å; T342-C345 VanDerWaalsContact O-N 3.16Å; T342-L346 WeakPolarHBondContact O-CG 3.14Å; T342-L346 PolarHBondContact O-N 3.27Å
343	R	89.1	Confident	88.7	Confident	39 Å²	39	26.9 Å²	26.9	15%	0.147	14%	0.144	C	C	.	.	H	α-helix	trans	-58.2	-45.1	175.3	-81.9	-175.1	-161.7	-144	15.7	112	Y283 T339 L341 C345 L346 A347 W381 F386	Y283-R343 VanDerWaalsContact CG-CZ 3.49Å; T339-R343 VanDerWaalsContact CG2-NE 3.34Å; T339-R343 WeakPolarHBondContact O-CB 3.37Å; T339-R343 WeakPolarHBondContact O-CG 3.32Å; T339-R343 PolarHBondContact O-N 3.2Å; L341-R343 VanDerWaalsContact C-N 3.34Å; L341-R343 PolarHBondContact O-N 2.82Å; R343-C345 PolarHBondContact O-N 2.98Å; R343-L346 PolarHBondContact O-N 3.07Å; R343-A347 PolarHBondContact O-N 3.03Å; R343-W381 HydrophobicContact CB-CH2 3.73Å; R343-W381 HydrophobicContact CB-CZ3 4.38Å; R343-W381 HydrophobicContact CG-CH2 4.48Å; R343-W381 VanDerWaalsContact O-CH2 3.24Å; R343-W381 WeakPolarHBondContact O-CH2 3.38Å; R343-W381 WeakPolarHBondContact O-CZ3 3.47Å; R343-F386 HydrophobicContact CB-CZ 3.79Å; R343-F386 HydrophobicContact CG-CZ 4.5Å
344	R	90.3	Very high	88.9	Confident	54 Å²	54	24.2 Å²	24.2	20%	0.204	12%	0.122	C	C	.	.	H	α-helix	trans	-59.5	-43.9	173.4	179.2	-178.9	174.4	167.9	4.1	111.9	P340 L341 T342 L346 A347 Q348 Y378 M382 W394 E398	P340-R344 WeakPolarHBondContact O-CB 3.49Å; P340-R344 PolarHBondContact O-N 3.3Å; L341-R344 WeakPolarHBondContact O-CB 3.47Å; L341-R344 PolarHBondContact O-N 3.46Å; L341-R344 VanDerWaalsContact O-N 3.16Å; T342-R344 PolarHBondContact O-N 3.21Å; R344-L346 PolarHBondContact O-N 2.53Å; R344-A347 PolarHBondContact O-N 2.71Å; R344-Q348 WeakPolarHBondContact O-CB 3.49Å; R344-Q348 PolarHBondContact O-N 2.81Å; R344-Y378 HydrophobicContact CG-CE2 4.43Å; R344-Y378 PolarHBondContact NH2-OH 2.91Å; R344-M382 HydrophobicContact CG-SD 3.97Å; R344-W394 VanDerWaalsContact NH1-NE1 3.18Å; R344-W394 VanDerWaalsContact NH2-CZ2 3.26Å; R344-E398 IonicContact NH2-OE1 2.94Å
345	C	90.9	Very high	88.9	Confident	17 Å²	17	19 Å²	19	12%	0.115	10%	0.096	C	C	.	.	H	α-helix	trans	-61.1	-42.2	178.1	-70.6	0	0	0	0	112.9	V316 L329 L341 T342 R343 Q348 S349	V316-C345 HydrophobicContact CG2-CB 3.54Å; L329-C345 HydrophobicContact CD1-CB 3.81Å; L341-C345 PolarHBondContact O-N 2.8Å; L341-C345 PolarHBondContact O-SG 3.44Å; L341-C345 VanDerWaalsContact O-SG 3.36Å; T342-C345 WeakPolarHBondContact O-CB 3.35Å; T342-C345 PolarHBondContact O-N 3.5Å; T342-C345 VanDerWaalsContact O-N 3.16Å; R343-C345 PolarHBondContact O-N 2.98Å; C345-Q348 PolarHBondContact O-N 3.35Å; C345-S349 PolarHBondContact O-N 3.43Å
346	L	90.9	Very high	88.6	Confident	8 Å²	8	19 Å²	19	4%	0.042	10%	0.099	C	C	.	.	H	α-helix	trans	-63.6	-46.9	174.4	-66.4	173.9	0	0	0	111.9	L284 F325 T342 R343 R344 Q348 S349 L350	L284-L346 HydrophobicContact CD1-CB 4.41Å; F325-L346 HydrophobicContact CE1-CD2 3.98Å; F325-L346 HydrophobicContact CE2-CD2 3.99Å; F325-L346 HydrophobicContact CZ-CD2 3.58Å; T342-L346 WeakPolarHBondContact O-CG 3.14Å; T342-L346 PolarHBondContact O-N 3.27Å; R343-L346 PolarHBondContact O-N 3.07Å; R344-L346 PolarHBondContact O-N 2.53Å; L346-Q348 VanDerWaalsContact C-N 3.32Å; L346-Q348 PolarHBondContact O-N 3.44Å; L346-S349 PolarHBondContact O-N 3.45Å; L346-S349 PolarHBondContact O-OG 3.43Å; L346-L350 PolarHBondContact O-N 3.2Å
347	A	92.2	Very high	88.4	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.1	-37.7	178	0	0	0	0	0	112.5	V287 Y291 R343 R344 A351 W381	V287-A347 HydrophobicContact CG1-CB 4.02Å; Y291-A347 WeakPolarHBondContact OH-CB 3.28Å; Y291-A347 PolarHBondContact OH-O 3.19Å; R343-A347 PolarHBondContact O-N 3.03Å; R344-A347 PolarHBondContact O-N 2.71Å; A347-A351 WeakPolarHBondContact O-CB 3.44Å; A347-A351 PolarHBondContact O-N 2.78Å; A347-A351 VanDerWaalsContact O-N 3.09Å; A347-W381 HydrophobicContact CB-CD2 3.92Å; A347-W381 HydrophobicContact CB-CE3 3.36Å; A347-W381 HydrophobicContact CB-CH2 3.84Å; A347-W381 HydrophobicContact CB-CZ2 4.44Å; A347-W381 HydrophobicContact CB-CZ3 3.32Å
348	Q	91.8	Very high	88.4	Confident	39 Å²	39	17.8 Å²	17.8	18%	0.182	9%	0.092	C	C	.	.	H	α-helix	trans	-67.4	-33.9	175.5	175.1	175.5	10.7	0	0	112.9	R344 C345 L346 Q352 Y378	R344-Q348 WeakPolarHBondContact O-CB 3.49Å; R344-Q348 PolarHBondContact O-N 2.81Å; C345-Q348 PolarHBondContact O-N 3.35Å; L346-Q348 VanDerWaalsContact C-N 3.32Å; L346-Q348 PolarHBondContact O-N 3.44Å; Q348-Q352 VanDerWaalsContact CG-NE2 3.28Å; Q348-Q352 WeakPolarHBondContact O-CG 3.26Å; Q348-Q352 PolarHBondContact O-N 3.2Å; Q348-Q352 PolarHBondContact O-NE2 3.24Å; Q348-Q352 VanDerWaalsContact O-NE2 3.09Å; Q348-Y378 HydrophobicContact CB-CD1 3.92Å; Q348-Y378 HydrophobicContact CB-CE1 4.13Å; Q348-Y378 HydrophobicContact CB-CG 4.4Å; Q348-Y378 HydrophobicContact CG-CD1 4.13Å; Q348-Y378 HydrophobicContact CG-CE1 3.95Å
349	S	91.1	Very high	88.5	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-70.1	-46.2	176.6	72.4	0	0	0	0	111.4	F325 C345 L346 Q352 Q353	F325-S349 VanDerWaalsContact CZ-OG 3.28Å; F325-S349 WeakPolarHBondContact CZ-OG 3.16Å; C345-S349 PolarHBondContact O-N 3.43Å; L346-S349 PolarHBondContact O-N 3.45Å; L346-S349 PolarHBondContact O-OG 3.43Å; S349-Q352 PolarHBondContact O-N 3.2Å; S349-Q353 PolarHBondContact O-N 2.79Å; S349-Q353 VanDerWaalsContact O-N 3.13Å
350	L	92.4	Very high	88.6	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-67.6	-40.4	-177.3	-177.1	61.3	0	0	0	111.2	V287 F288 Y291 Y299 F304 L346 Q352 Q353 F354	V287-L350 HydrophobicContact CB-CD2 4.5Å; V287-L350 HydrophobicContact CG1-CD2 4.15Å; F288-L350 HydrophobicContact CD1-CD1 4.43Å; F288-L350 HydrophobicContact CD1-CD2 3.89Å; F288-L350 HydrophobicContact CD2-CD2 4.05Å; F288-L350 HydrophobicContact CE1-CD1 3.62Å; F288-L350 HydrophobicContact CE1-CD2 3.84Å; F288-L350 HydrophobicContact CE1-CG 4.38Å; F288-L350 HydrophobicContact CE2-CD1 4.46Å; F288-L350 HydrophobicContact CE2-CD2 3.99Å; F288-L350 HydrophobicContact CG-CD2 4Å; F288-L350 HydrophobicContact CZ-CD1 3.63Å; F288-L350 HydrophobicContact CZ-CD2 3.88Å; F288-L350 HydrophobicContact CZ-CG 4.43Å; Y291-L350 HydrophobicContact CD2-CB 4.37Å; Y291-L350 HydrophobicContact CD2-CD2 3.63Å; Y291-L350 HydrophobicContact CD2-CG 3.79Å; Y291-L350 HydrophobicContact CE2-CB 3.98Å; Y291-L350 HydrophobicContact CE2-CD2 3.96Å; Y291-L350 HydrophobicContact CE2-CG 3.92Å; Y299-L350 HydrophobicContact CD2-CD1 4.06Å; Y299-L350 HydrophobicContact CE2-CD1 3.68Å; F304-L350 HydrophobicContact CD2-CD1 4.08Å; F304-L350 HydrophobicContact CE2-CD1 3.86Å; L346-L350 PolarHBondContact O-N 3.2Å; L350-Q352 VanDerWaalsContact C-N 3.29Å; L350-Q352 PolarHBondContact O-N 2.59Å; L350-Q353 WeakPolarHBondContact O-CB 3.41Å; L350-Q353 PolarHBondContact O-N 2.96Å; L350-F354 HydrophobicContact CD1-CD2 4.47Å; L350-F354 HydrophobicContact CD1-CE2 4.14Å; L350-F354 HydrophobicContact CG-CD2 4.42Å; L350-F354 HydrophobicContact CG-CE2 4.15Å; L350-F354 WeakPolarHBondContact O-CD2 3.37Å; L350-F354 PolarHBondContact O-N 3.34Å
351	A	92.1	Very high	88.6	Confident	1 Å²	1	14.2 Å²	14.2	1%	0.008	7%	0.07	C	C	.	.	H	α-helix	trans	-60.7	-36	174	0	0	0	0	0	112.8	Y291 A347 Q353 F355 S374 I377	Y291-A351 HydrophobicContact CE2-CB 4.13Å; A347-A351 WeakPolarHBondContact O-CB 3.44Å; A347-A351 PolarHBondContact O-N 2.78Å; A347-A351 VanDerWaalsContact O-N 3.09Å; A351-Q353 VanDerWaalsContact C-N 3.34Å; A351-F355 PolarHBondContact O-N 3.41Å; A351-S374 WeakPolarHBondContact O-CB 3.35Å; A351-I377 HydrophobicContact CB-CB 4.48Å; A351-I377 HydrophobicContact CB-CG2 4.27Å
352	Q	90.1	Very high	88.3	Confident	20 Å²	20	12.5 Å²	12.5	9%	0.093	6%	0.06	C	C	.	.	H	α-helix	trans	-76.3	-15.9	175.3	-76.6	178.8	83.7	0	0	114	A318 Q348 S349 L350 F355 G356 C357	A318-Q352 HydrophobicContact CB-CB 3.85Å; Q348-Q352 VanDerWaalsContact CG-NE2 3.28Å; Q348-Q352 WeakPolarHBondContact O-CG 3.26Å; Q348-Q352 PolarHBondContact O-N 3.2Å; Q348-Q352 PolarHBondContact O-NE2 3.24Å; Q348-Q352 VanDerWaalsContact O-NE2 3.09Å; S349-Q352 PolarHBondContact O-N 3.2Å; L350-Q352 VanDerWaalsContact C-N 3.29Å; L350-Q352 PolarHBondContact O-N 2.59Å; Q352-F355 CarbonylContact O-C 3.53Å; Q352-G356 VanDerWaalsContact O-CA 3.25Å; Q352-G356 WeakPolarHBondContact O-CA 3.47Å; Q352-G356 PolarHBondContact O-N 3.35Å; Q352-C357 PolarHBondContact O-N 2.84Å
353	Q	89.9	Confident	87.9	Confident	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-76.1	-48.7	169.7	-73.5	-173.6	-14.9	0	0	111.5	Y299 A318 Y319 M322 S349 L350 A351 F355 C357 F358	Y299-Q353 PolarHBondContact OH-OE1 2.75Å; A318-Q353 HydrophobicContact CB-CG 4.19Å; Y319-Q353 WeakPolarHBondContact O-CG 3.29Å; Y319-Q353 PolarHBondContact O-NE2 3.15Å; M322-Q353 PolarHBondContact O-NE2 2.75Å; S349-Q353 PolarHBondContact O-N 2.79Å; S349-Q353 VanDerWaalsContact O-N 3.13Å; L350-Q353 WeakPolarHBondContact O-CB 3.41Å; L350-Q353 PolarHBondContact O-N 2.96Å; A351-Q353 VanDerWaalsContact C-N 3.34Å; Q353-F355 PolarHBondContact O-N 3.43Å; Q353-C357 HydrophobicContact CB-CB 4.46Å; Q353-C357 WeakPolarHBondContact O-CA 3.29Å; Q353-C357 VanDerWaalsContact O-CB 3.3Å; Q353-C357 WeakPolarHBondContact O-CB 3.42Å; Q353-C357 PolarHBondContact O-N 3.49Å; Q353-C357 VanDerWaalsContact O-N 3.12Å; Q353-F358 PolarHBondContact O-N 2.99Å
354	F	89.6	Confident	87.6	Confident	2 Å²	2	13 Å²	13	1%	0.009	7%	0.067	C	C	.	.	H	α-helix	trans	-56.9	-49.8	172.4	-76.8	-83	0	0	0	110.9	Y291 L295 Y299 P300 L350 I359 L477	Y291-F354 HydrophobicContact CD2-CE2 4.23Å; L295-F354 HydrophobicContact CD1-CD1 3.81Å; L295-F354 HydrophobicContact CD1-CD2 4.23Å; L295-F354 HydrophobicContact CD1-CE1 3.89Å; L295-F354 HydrophobicContact CD1-CE2 4.33Å; L295-F354 HydrophobicContact CD1-CG 3.98Å; L295-F354 HydrophobicContact CD1-CZ 4.15Å; Y299-F354 HydrophobicContact CD2-CE1 4.39Å; Y299-F354 AromaticContact CD2-CE2 3.96Å; Y299-F354 HydrophobicContact CD2-CE2 3.96Å; Y299-F354 AromaticContact CD2-CZ 3.81Å; Y299-F354 HydrophobicContact CD2-CZ 3.81Å; P300-F354 HydrophobicContact CG-CD1 4.38Å; P300-F354 HydrophobicContact CG-CE1 4.47Å; L350-F354 HydrophobicContact CD1-CD2 4.47Å; L350-F354 HydrophobicContact CD1-CE2 4.14Å; L350-F354 HydrophobicContact CG-CD2 4.42Å; L350-F354 HydrophobicContact CG-CE2 4.15Å; L350-F354 WeakPolarHBondContact O-CD2 3.37Å; L350-F354 PolarHBondContact O-N 3.34Å; F354-I359 PolarHBondContact O-N 3.29Å; F354-L477 HydrophobicContact CD1-CD2 4.3Å
355	F	86.4	Confident	87.3	Confident	1 Å²	1	11.2 Å²	11.2	0%	0.004	6%	0.063	C	C	.	.	B	Isolated β-bridge	trans	-115.7	81.9	-177.1	-60.4	-87.6	0	0	0	110.7	L295 A351 Q352 Q353 I359 I373 I377 F473 L477	L295-F355 HydrophobicContact CD1-CE2 4.18Å; L295-F355 HydrophobicContact CD2-CE2 4.01Å; L295-F355 HydrophobicContact CD2-CZ 4.17Å; A351-F355 PolarHBondContact O-N 3.41Å; Q352-F355 CarbonylContact O-C 3.53Å; Q353-F355 PolarHBondContact O-N 3.43Å; F355-I359 HydrophobicContact CD1-CD1 3.82Å; F355-I359 HydrophobicContact CE1-CD1 3.54Å; F355-I359 HydrophobicContact CZ-CD1 4.38Å; F355-I373 HydrophobicContact CB-CB 4.45Å; F355-I373 HydrophobicContact CB-CG2 4.09Å; F355-I373 HydrophobicContact CD1-CB 4.21Å; F355-I373 HydrophobicContact CD1-CD1 4.13Å; F355-I373 HydrophobicContact CD1-CG2 3.46Å; F355-I373 VanDerWaalsContact CD1-CG2 3.46Å; F355-I373 HydrophobicContact CD2-CG2 3.63Å; F355-I373 HydrophobicContact CE1-CD1 4.36Å; F355-I373 HydrophobicContact CE1-CG2 3.68Å; F355-I373 HydrophobicContact CE2-CG2 3.88Å; F355-I373 HydrophobicContact CG-CB 4.23Å; F355-I373 HydrophobicContact CG-CG2 3.43Å; F355-I373 VanDerWaalsContact CG-CG2 3.43Å; F355-I373 HydrophobicContact CZ-CG2 3.89Å; F355-I377 HydrophobicContact CD2-CD1 3.58Å; F355-I377 HydrophobicContact CE2-CD1 3.29Å; F355-I377 HydrophobicContact CZ-CD1 4.12Å; F355-F473 HydrophobicContact CZ-CB 4.44Å; F355-F473 HydrophobicContact CZ-CG 4.38Å; F355-L477 HydrophobicContact CE2-CD1 4.48Å; F355-L477 HydrophobicContact CZ-CD1 3.98Å; F355-L477 HydrophobicContact CZ-CD2 4.19Å; F355-L477 HydrophobicContact CZ-CG 4.09Å
356	G	79.4	Confident	87.1	Confident	9 Å²	9	10.9 Å²	10.9	9%	0.093	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	152.5	-40.1	-176.3	0	0	0	0	0	112.9	N246 Q352 I359	N246-G356 PolarHBondContact ND2-O 2.94Å; Q352-G356 VanDerWaalsContact O-CA 3.25Å; Q352-G356 WeakPolarHBondContact O-CA 3.47Å; Q352-G356 PolarHBondContact O-N 3.35Å; G356-I359 CarbonylContact C-O 3.56Å; G356-I359 WeakPolarHBondContact CA-O 3.5Å; G356-I359 PolarHBondContact N-O 2.93Å
357	C	80.7	Confident	87	Confident	3 Å²	3	10.8 Å²	10.8	2%	0.02	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-44.5	177.8	-57.7	0	0	0	0	113.4	N246 Y301 A320 Q352 Q353	N246-C357 WeakPolarHBondContact ND2-CA 3.26Å; Y301-C357 VanDerWaalsContact OH-C 3.24Å; Y301-C357 PolarHBondContact OH-O 2.88Å; A320-C357 HydrophobicContact CB-CB 4.42Å; Q352-C357 PolarHBondContact O-N 2.84Å; Q353-C357 HydrophobicContact CB-CB 4.46Å; Q353-C357 WeakPolarHBondContact O-CA 3.29Å; Q353-C357 VanDerWaalsContact O-CB 3.3Å; Q353-C357 WeakPolarHBondContact O-CB 3.42Å; Q353-C357 PolarHBondContact O-N 3.49Å; Q353-C357 VanDerWaalsContact O-N 3.12Å
358	F	84.9	Confident	86.9	Confident	4 Å²	4	10.8 Å²	10.8	2%	0.018	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-54.5	-180	-177.3	-117.6	0	0	0	112.1	I240 P300 Y301 Q353 L477 A480 M496	I240-F358 HydrophobicContact CG2-CD2 4.24Å; I240-F358 HydrophobicContact CG2-CE2 4.31Å; P300-F358 HydrophobicContact CB-CD1 3.91Å; P300-F358 HydrophobicContact CB-CD2 3.78Å; P300-F358 HydrophobicContact CB-CE1 3.84Å; P300-F358 HydrophobicContact CB-CE2 3.72Å; P300-F358 HydrophobicContact CB-CG 3.87Å; P300-F358 HydrophobicContact CB-CZ 3.74Å; P300-F358 HydrophobicContact CG-CB 3.99Å; P300-F358 HydrophobicContact CG-CD1 3.82Å; P300-F358 HydrophobicContact CG-CD2 3.99Å; P300-F358 HydrophobicContact CG-CE1 4.25Å; P300-F358 HydrophobicContact CG-CE2 4.42Å; P300-F358 HydrophobicContact CG-CG 3.66Å; Y301-F358 HydrophobicContact CE2-CB 4.26Å; Y301-F358 PolarHBondContact OH-N 2.9Å; Q353-F358 PolarHBondContact O-N 2.99Å; F358-L477 HydrophobicContact CD1-CD2 3.99Å; F358-L477 HydrophobicContact CE1-CD2 4.22Å; F358-A480 HydrophobicContact CD1-CB 4.22Å; F358-A480 HydrophobicContact CE1-CB 3.62Å; F358-A480 HydrophobicContact CZ-CB 3.97Å; F358-M496 HydrophobicContact CD2-CE 4.07Å; F358-M496 HydrophobicContact CE2-CE 4.01Å; F358-M496 WeakPolarHBondContact O-CE 3.36Å
359	I	88.5	Confident	86.9	Confident	4 Å²	4	9.1 Å²	9.1	2%	0.021	5%	0.051	C	C	.	.	B	Isolated β-bridge	trans	-86.6	126.6	163.6	-64	169.1	0	0	0	108.1	F354 F355 G356 L370 L476 L477 A480 V498	F354-I359 PolarHBondContact O-N 3.29Å; F355-I359 HydrophobicContact CD1-CD1 3.82Å; F355-I359 HydrophobicContact CE1-CD1 3.54Å; F355-I359 HydrophobicContact CZ-CD1 4.38Å; G356-I359 CarbonylContact C-O 3.56Å; G356-I359 WeakPolarHBondContact CA-O 3.5Å; G356-I359 PolarHBondContact N-O 2.93Å; I359-L370 HydrophobicContact CG2-CD2 3.94Å; I359-L476 HydrophobicContact CD1-CB 4.01Å; I359-L477 HydrophobicContact CD1-CD2 3.67Å; I359-L477 HydrophobicContact CD1-CG 4.1Å; I359-L477 HydrophobicContact CG1-CD2 4.34Å; I359-A480 HydrophobicContact CG1-CB 4.03Å; I359-V498 HydrophobicContact CG2-CB 4.08Å; I359-V498 HydrophobicContact CG2-CG2 3.51Å
360	S	85.4	Confident	87	Confident	1 Å²	1	9.4 Å²	9.4	1%	0.007	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	169.1	179.8	-172.7	0	0	0	0	111.7	Y196 M496 L497 V498	Y196-S360 PolarHBondContact O-OG 3.31Å; S360-M496 PolarHBondContact N-O 2.82Å; S360-M496 VanDerWaalsContact N-O 3.13Å; S360-L497 WeakPolarHBondContact O-CA 3.35Å; S360-V498 PolarHBondContact O-N 3.08Å
361	R	86.4	Confident	86.9	Confident	1 Å²	1	10.4 Å²	10.4	0%	0.004	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	145.7	-179.7	57.9	-175	-179.5	72.1	0.4	111.6	D120 Y196 S363 D366 L370 V498	D120-R361 IonicContact OD2-NH1 2.72Å; Y196-R361 HydrophobicContact CD1-CG 4.29Å; Y196-R361 HydrophobicContact CG-CG 4.19Å; R361-S363 VanDerWaalsContact CD-O 3.22Å; R361-S363 WeakPolarHBondContact CD-O 3.03Å; R361-S363 WeakPolarHBondContact CG-O 3.41Å; R361-S363 PolarHBondContact NH1-O 3.39Å; R361-D366 HydrophobicContact CB-CB 4.07Å; R361-L370 HydrophobicContact CB-CD1 3.74Å; R361-L370 HydrophobicContact CG-CD1 4.14Å; R361-V498 WeakPolarHBondContact CA-O 3.49Å
362	M	81.6	Confident	86.9	Confident	57 Å²	57	10.4 Å²	10.4	28%	0.281	6%	0.057	S	C	.	.	S	Bend	trans	-72.4	-38.1	172.9	-74.5	-172.1	169.6	0	0	113.3	L497 V498	M362-L497 HydrophobicContact CE-CB 3.92Å; M362-L497 HydrophobicContact CG-CB 3.66Å; M362-L497 HydrophobicContact CG-CD1 4.43Å; M362-V498 PolarHBondContact N-O 3.07Å; M362-V498 VanDerWaalsContact N-O 3.11Å
363	S	82.3	Confident	87.1	Confident	35 Å²	35	9.5 Å²	9.5	25%	0.245	5%	0.053	C	C	.	.	S	Bend	trans	-140.1	-179.2	-175.3	75.2	0	0	0	0	111.8	R361 S365 D366	R361-S363 VanDerWaalsContact CD-O 3.22Å; R361-S363 WeakPolarHBondContact CD-O 3.03Å; R361-S363 WeakPolarHBondContact CG-O 3.41Å; R361-S363 PolarHBondContact NH1-O 3.39Å; S363-S365 PolarHBondContact OG-N 3.27Å; S363-S365 PolarHBondContact OG-OG 3Å; S363-D366 WeakPolarHBondContact CB-OD2 3.47Å; S363-D366 PolarHBondContact N-OD2 3.25Å; S363-D366 PolarHBondContact OG-OD2 2.99Å
364	W	83.8	Confident	87.2	Confident	18 Å²	18	9.7 Å²	9.7	7%	0.068	6%	0.055	C	C	.	.	S	Bend	trans	-67.7	-42.6	172.2	178.4	-119.3	0	0	0	113	Q183 D366 E367 I435 P438 L441 Y446	Q183-W364 VanDerWaalsContact NE2-CZ3 3.32Å; W364-D366 PolarHBondContact O-N 3.43Å; W364-E367 HydrophobicContact CE3-CB 4.44Å; W364-E367 HydrophobicContact CH2-CB 4.4Å; W364-E367 WeakPolarHBondContact CH2-OE2 3.3Å; W364-E367 HydrophobicContact CZ3-CB 4.02Å; W364-E367 HydrophobicContact CZ3-CG 4.29Å; W364-E367 PolarHBondContact O-N 3.05Å; W364-I435 PolarHBondContact NE1-O 2.86Å; W364-P438 HydrophobicContact CD2-CB 4.13Å; W364-P438 HydrophobicContact CD2-CG 4.24Å; W364-P438 HydrophobicContact CE3-CB 3.93Å; W364-P438 HydrophobicContact CE3-CG 4.01Å; W364-P438 HydrophobicContact CH2-CB 3.84Å; W364-P438 HydrophobicContact CZ2-CB 4Å; W364-P438 HydrophobicContact CZ3-CB 3.79Å; W364-P438 HydrophobicContact CZ3-CG 4.3Å; W364-L441 HydrophobicContact CZ2-CD1 3.62Å; W364-Y446 HydrophobicContact CH2-CD2 4.49Å; W364-Y446 AromaticContact CH2-CE2 3.92Å; W364-Y446 HydrophobicContact CH2-CE2 3.92Å; W364-Y446 HydrophobicContact CZ2-CE2 4.48Å
365	S	83.3	Confident	87.3	Confident	16 Å²	16	9.8 Å²	9.8	11%	0.112	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-7.6	-177.8	57.7	0	0	0	0	113.9	S363 W368 H415	S363-S365 PolarHBondContact OG-N 3.27Å; S363-S365 PolarHBondContact OG-OG 3Å; S365-W368 VanDerWaalsContact O-CD1 3.29Å; S365-H415 PolarHBondContact O-CD2 2.82Å; S365-H415 VanDerWaalsContact O-CD2 3.3Å; S365-H415 PolarHBondContact OG-NE2 2.94Å
366	D	86.9	Confident	87.7	Confident	10 Å²	10	9.8 Å²	9.8	5%	0.053	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-6.7	176.1	-64.4	-56.8	0	0	0	114.5	R361 S363 W364 W368 V369 S499 T500	R361-D366 HydrophobicContact CB-CB 4.07Å; S363-D366 WeakPolarHBondContact CB-OD2 3.47Å; S363-D366 PolarHBondContact N-OD2 3.25Å; S363-D366 PolarHBondContact OG-OD2 2.99Å; W364-D366 PolarHBondContact O-N 3.43Å; D366-W368 PolarHBondContact O-N 2.98Å; D366-W368 VanDerWaalsContact O-N 3.15Å; D366-V369 PolarHBondContact O-N 3.15Å; D366-S499 WeakPolarHBondContact OD1-CA 3.26Å; D366-T500 WeakPolarHBondContact OD1-CB 3.43Å; D366-T500 PolarHBondContact OD1-N 2.88Å; D366-T500 PolarHBondContact OD1-OG1 3.11Å
367	E	87.6	Confident	88.3	Confident	5 Å²	5	9.4 Å²	9.4	2%	0.023	5%	0.052	C	C	.	.	H	α-helix	trans	-63.2	-25.2	-175	-154.2	-159.7	-151	0	0	113.1	Q183 W364 V369 L370 K371 Y446 F449	Q183-E367 PolarHBondContact NE2-OE1 3.37Å; Q183-E367 PolarHBondContact NE2-OE2 2.84Å; W364-E367 HydrophobicContact CE3-CB 4.44Å; W364-E367 HydrophobicContact CH2-CB 4.4Å; W364-E367 WeakPolarHBondContact CH2-OE2 3.3Å; W364-E367 HydrophobicContact CZ3-CB 4.02Å; W364-E367 HydrophobicContact CZ3-CG 4.29Å; W364-E367 PolarHBondContact O-N 3.05Å; E367-V369 PolarHBondContact O-N 2.94Å; E367-V369 VanDerWaalsContact O-N 3.16Å; E367-L370 PolarHBondContact O-N 3.34Å; E367-K371 HydrophobicContact CG-CG 4.14Å; E367-K371 PolarHBondContact O-N 3.46Å; E367-K371 WeakPolarHBondContact OE1-CE 3.39Å; E367-K371 IonicContact OE1-NZ 3.33Å; E367-Y446 PolarHBondContact OE1-OH 3.16Å; E367-Y446 VanDerWaalsContact OE2-CE2 3.27Å; E367-Y446 WeakPolarHBondContact OE2-CE2 3.45Å; E367-Y446 PolarHBondContact OE2-OH 2.84Å; E367-F449 HydrophobicContact CB-CE1 4.28Å; E367-F449 HydrophobicContact CB-CZ 4.22Å
368	W	90.9	Very high	88.9	Confident	1 Å²	1	10.2 Å²	10.2	0%	0.004	6%	0.055	C	C	.	.	H	α-helix	trans	-59	-31.1	179.9	79.3	-95.3	0	0	0	112	S365 D366 G372 L414 F449 A453 V456 T500 I519 V523	S365-W368 VanDerWaalsContact O-CD1 3.29Å; D366-W368 PolarHBondContact O-N 2.98Å; D366-W368 VanDerWaalsContact O-N 3.15Å; W368-G372 WeakPolarHBondContact O-CA 2.93Å; W368-G372 PolarHBondContact O-N 2.91Å; W368-L414 HydrophobicContact CB-CB 4.07Å; W368-L414 HydrophobicContact CB-CD1 4.45Å; W368-L414 HydrophobicContact CB-CD2 4.22Å; W368-L414 HydrophobicContact CB-CG 4.48Å; W368-L414 HydrophobicContact CD2-CD1 4.47Å; W368-L414 HydrophobicContact CE3-CD1 4.37Å; W368-L414 HydrophobicContact CG-CB 4.04Å; W368-F449 HydrophobicContact CB-CE1 4.39Å; W368-F449 HydrophobicContact CB-CE2 3.98Å; W368-F449 HydrophobicContact CB-CZ 3.7Å; W368-A453 HydrophobicContact CB-CB 4.16Å; W368-A453 WeakPolarHBondContact O-CB 3.38Å; W368-V456 HydrophobicContact CH2-CG1 4.38Å; W368-V456 HydrophobicContact CZ3-CG1 3.84Å; W368-T500 HydrophobicContact CZ2-CG2 3.87Å; W368-T500 PolarHBondContact NE1-OG1 2.92Å; W368-I519 HydrophobicContact CH2-CD1 4Å; W368-I519 HydrophobicContact CZ2-CD1 4.33Å; W368-V523 HydrophobicContact CD2-CG1 4.16Å; W368-V523 HydrophobicContact CH2-CG1 4.47Å; W368-V523 HydrophobicContact CH2-CG2 4.11Å; W368-V523 HydrophobicContact CZ2-CG1 3.74Å; W368-V523 HydrophobicContact CZ2-CG2 4.15Å; W368-V523 HydrophobicContact CZ3-CG2 4.5Å
369	V	92.5	Very high	89.3	Confident	3 Å²	3	10 Å²	10	2%	0.018	5%	0.054	C	C	.	.	H	α-helix	trans	-65.2	-46.5	175.9	-179.8	0	0	0	0	110.3	D366 E367 I373 V498 F503	D366-V369 PolarHBondContact O-N 3.15Å; E367-V369 PolarHBondContact O-N 2.94Å; E367-V369 VanDerWaalsContact O-N 3.16Å; V369-I373 HydrophobicContact CG1-CD1 3.68Å; V369-I373 HydrophobicContact CG1-CG1 4.44Å; V369-I373 WeakPolarHBondContact O-CB 3.28Å; V369-I373 WeakPolarHBondContact O-CD1 3.31Å; V369-I373 WeakPolarHBondContact O-CG1 3.23Å; V369-I373 PolarHBondContact O-N 2.96Å; V369-V498 HydrophobicContact CG1-CG1 4.26Å; V369-F503 HydrophobicContact CG1-CB 4.26Å; V369-F503 HydrophobicContact CG1-CD1 3.68Å; V369-F503 HydrophobicContact CG1-CD2 4.06Å; V369-F503 HydrophobicContact CG1-CE1 3.92Å; V369-F503 HydrophobicContact CG1-CE2 4.3Å; V369-F503 HydrophobicContact CG1-CG 3.75Å; V369-F503 HydrophobicContact CG1-CZ 4.23Å; V369-F503 HydrophobicContact CG2-CD1 4.01Å
370	L	91.2	Very high	89.4	Confident	6 Å²	6	10.3 Å²	10.3	3%	0.031	6%	0.055	C	C	.	.	H	α-helix	trans	-67.9	-46.6	-178.7	-60.5	174.2	0	0	0	112	I359 R361 E367 S374	I359-L370 HydrophobicContact CG2-CD2 3.94Å; R361-L370 HydrophobicContact CB-CD1 3.74Å; R361-L370 HydrophobicContact CG-CD1 4.14Å; E367-L370 PolarHBondContact O-N 3.34Å; L370-S374 WeakPolarHBondContact O-CB 3.15Å; L370-S374 PolarHBondContact O-N 2.97Å; L370-S374 PolarHBondContact O-OG 3.46Å
371	K	90.8	Very high	89.8	Confident	22 Å²	22	10.4 Å²	10.4	10%	0.096	6%	0.055	C	C	.	.	H	α-helix	trans	-71.1	-32.9	178.5	-62.5	-51.8	-171.1	-160.5	0	112.4	Y182 E367 S374 G375 Y446 Q450	Y182-K371 PolarHBondContact OH-NZ 3.01Å; E367-K371 HydrophobicContact CG-CG 4.14Å; E367-K371 PolarHBondContact O-N 3.46Å; E367-K371 WeakPolarHBondContact OE1-CE 3.39Å; E367-K371 IonicContact OE1-NZ 3.33Å; K371-S374 WeakPolarHBondContact CA-OG 3.49Å; K371-S374 PolarHBondContact O-OG 3.04Å; K371-G375 PolarHBondContact O-N 2.79Å; K371-Y446 WeakPolarHBondContact CE-OH 3.46Å; K371-Q450 HydrophobicContact CB-CG 4.22Å; K371-Q450 HydrophobicContact CG-CG 4.22Å
372	G	92.9	Very high	90	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-66.7	-48.1	173.3	0	0	0	0	0	112.4	W368 G375 Y376 M457	W368-G372 WeakPolarHBondContact O-CA 2.93Å; W368-G372 PolarHBondContact O-N 2.91Å; G372-G375 PolarHBondContact O-N 2.83Å; G372-Y376 WeakPolarHBondContact O-CB 3.22Å; G372-Y376 PolarHBondContact O-N 2.89Å; G372-M457 VanDerWaalsContact C-CG 3.5Å
373	I	93.4	Very high	90.5	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.01	6%	0.06	C	C	.	.	H	α-helix	trans	-63.3	-50	178.7	-69.2	170.1	0	0	0	111	F355 V369 G375 Y376 I377 M457 F473 F503	F355-I373 HydrophobicContact CB-CB 4.45Å; F355-I373 HydrophobicContact CB-CG2 4.09Å; F355-I373 HydrophobicContact CD1-CB 4.21Å; F355-I373 HydrophobicContact CD1-CD1 4.13Å; F355-I373 HydrophobicContact CD1-CG2 3.46Å; F355-I373 VanDerWaalsContact CD1-CG2 3.46Å; F355-I373 HydrophobicContact CD2-CG2 3.63Å; F355-I373 HydrophobicContact CE1-CD1 4.36Å; F355-I373 HydrophobicContact CE1-CG2 3.68Å; F355-I373 HydrophobicContact CE2-CG2 3.88Å; F355-I373 HydrophobicContact CG-CB 4.23Å; F355-I373 HydrophobicContact CG-CG2 3.43Å; F355-I373 VanDerWaalsContact CG-CG2 3.43Å; F355-I373 HydrophobicContact CZ-CG2 3.89Å; V369-I373 HydrophobicContact CG1-CD1 3.68Å; V369-I373 HydrophobicContact CG1-CG1 4.44Å; V369-I373 WeakPolarHBondContact O-CB 3.28Å; V369-I373 WeakPolarHBondContact O-CD1 3.31Å; V369-I373 WeakPolarHBondContact O-CG1 3.23Å; V369-I373 PolarHBondContact O-N 2.96Å; I373-G375 VanDerWaalsContact C-N 3.29Å; I373-G375 PolarHBondContact O-N 3.17Å; I373-Y376 PolarHBondContact O-N 2.78Å; I373-I377 HydrophobicContact CG2-CD1 3.57Å; I373-I377 HydrophobicContact CG2-CG1 4.39Å; I373-I377 WeakPolarHBondContact O-CG1 3.42Å; I373-I377 PolarHBondContact O-N 2.9Å; I373-M457 HydrophobicContact CG1-CE 3.72Å; I373-M457 HydrophobicContact CG1-SD 4.17Å; I373-F473 HydrophobicContact CB-CE1 4.33Å; I373-F473 HydrophobicContact CB-CZ 4.02Å; I373-F473 HydrophobicContact CD1-CD1 4.47Å; I373-F473 HydrophobicContact CD1-CE1 3.81Å; I373-F473 HydrophobicContact CD1-CZ 4.37Å; I373-F473 HydrophobicContact CG1-CE1 3.63Å; I373-F473 HydrophobicContact CG1-CZ 3.72Å; I373-F473 HydrophobicContact CG2-CD1 4.48Å; I373-F473 HydrophobicContact CG2-CD2 4.44Å; I373-F473 HydrophobicContact CG2-CE1 3.83Å; I373-F473 HydrophobicContact CG2-CE2 3.78Å; I373-F473 HydrophobicContact CG2-CZ 3.43Å; I373-F473 VanDerWaalsContact CG2-CZ 3.43Å; I373-F503 HydrophobicContact CD1-CE2 3.83Å; I373-F503 HydrophobicContact CD1-CZ 3.99Å; I373-F503 HydrophobicContact CG1-CZ 4.32Å
374	S	92.5	Very high	91	Very high	4 Å²	4	16.8 Å²	16.8	3%	0.028	8%	0.078	C	C	.	.	H	α-helix	trans	-62.6	-37.5	177.7	52.1	0	0	0	0	112	A351 L370 K371 I377 Y378	A351-S374 WeakPolarHBondContact O-CB 3.35Å; L370-S374 WeakPolarHBondContact O-CB 3.15Å; L370-S374 PolarHBondContact O-N 2.97Å; L370-S374 PolarHBondContact O-OG 3.46Å; K371-S374 WeakPolarHBondContact CA-OG 3.49Å; K371-S374 PolarHBondContact O-OG 3.04Å; S374-I377 PolarHBondContact O-N 3.35Å; S374-Y378 WeakPolarHBondContact O-CD1 3.42Å; S374-Y378 PolarHBondContact O-N 2.98Å; S374-Y378 VanDerWaalsContact O-N 3.17Å
375	G	92.4	Very high	91.2	Very high	4 Å²	4	18.2 Å²	18.2	4%	0.041	9%	0.088	C	C	.	.	H	α-helix	trans	-57.3	-50.2	170.7	0	0	0	0	0	113.7	K371 G372 I373 G379	K371-G375 PolarHBondContact O-N 2.79Å; G372-G375 PolarHBondContact O-N 2.83Å; I373-G375 VanDerWaalsContact C-N 3.29Å; I373-G375 PolarHBondContact O-N 3.17Å; G375-G379 PolarHBondContact O-N 3.09Å
376	Y	93.8	Very high	91.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.7	-40.8	178.5	178.2	-95.3	0	0	0	112.5	G372 I373 G379 L380 E461 M469 F473	G372-Y376 WeakPolarHBondContact O-CB 3.22Å; G372-Y376 PolarHBondContact O-N 2.89Å; I373-Y376 PolarHBondContact O-N 2.78Å; Y376-G379 CarbonylContact O-C 3.56Å; Y376-G379 WeakPolarHBondContact O-CA 3.22Å; Y376-G379 PolarHBondContact O-N 3.31Å; Y376-L380 HydrophobicContact CD1-CD1 4.18Å; Y376-L380 HydrophobicContact CD1-CG 4.32Å; Y376-L380 HydrophobicContact CE1-CD1 3.46Å; Y376-L380 VanDerWaalsContact CE1-CD1 3.46Å; Y376-L380 HydrophobicContact CE1-CD2 4.37Å; Y376-L380 HydrophobicContact CE1-CG 3.84Å; Y376-L380 HydrophobicContact CE2-CD2 4.48Å; Y376-L380 PolarHBondContact O-N 2.78Å; Y376-E461 HydrophobicContact CE2-CB 4.21Å; Y376-E461 HydrophobicContact CE2-CG 4.34Å; Y376-E461 VanDerWaalsContact OH-CD 3.27Å; Y376-E461 PolarHBondContact OH-OE1 3.13Å; Y376-M469 HydrophobicContact CD1-CE 3.54Å; Y376-M469 HydrophobicContact CE1-CE 3.15Å; Y376-M469 HydrophobicContact CG-CE 4.44Å; Y376-F473 HydrophobicContact CD1-CE2 4.21Å; Y376-F473 HydrophobicContact CD1-CZ 4.44Å
377	I	93.3	Very high	91.4	Very high	2 Å²	2	21 Å²	21	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-66.2	-47.8	-178.8	-71.2	166.2	0	0	0	111.8	Y291 L295 A351 F355 I373 S374 G379 L380 W381 F473	Y291-I377 HydrophobicContact CD1-CG2 3.72Å; Y291-I377 HydrophobicContact CE1-CG2 3.38Å; Y291-I377 HydrophobicContact CE2-CG2 4.33Å; Y291-I377 HydrophobicContact CG-CG2 4.35Å; L295-I377 HydrophobicContact CD2-CD1 4.02Å; A351-I377 HydrophobicContact CB-CB 4.48Å; A351-I377 HydrophobicContact CB-CG2 4.27Å; F355-I377 HydrophobicContact CD2-CD1 3.58Å; F355-I377 HydrophobicContact CE2-CD1 3.29Å; F355-I377 HydrophobicContact CZ-CD1 4.12Å; I373-I377 HydrophobicContact CG2-CD1 3.57Å; I373-I377 HydrophobicContact CG2-CG1 4.39Å; I373-I377 WeakPolarHBondContact O-CG1 3.42Å; I373-I377 PolarHBondContact O-N 2.9Å; S374-I377 PolarHBondContact O-N 3.35Å; I377-G379 PolarHBondContact O-N 2.96Å; I377-L380 PolarHBondContact O-N 3.19Å; I377-W381 PolarHBondContact O-N 2.99Å; I377-F473 HydrophobicContact CD1-CD2 4.11Å; I377-F473 HydrophobicContact CD1-CE2 3.84Å; I377-F473 HydrophobicContact CG1-CD2 4.38Å; I377-F473 HydrophobicContact CG1-CE2 3.84Å
378	Y	92.7	Very high	91.5	Very high	19 Å²	19	24.3 Å²	24.3	8%	0.075	13%	0.126	C	C	.	.	H	α-helix	trans	-67.9	-27	174.8	81.6	-115.1	0	0	0	111.5	Y291 R344 Q348 S374 W381 M382 W394	Y291-Y378 WeakPolarHBondContact OH-CA 3.48Å; Y291-Y378 WeakPolarHBondContact OH-CB 3.19Å; R344-Y378 HydrophobicContact CG-CE2 4.43Å; R344-Y378 PolarHBondContact NH2-OH 2.91Å; Q348-Y378 HydrophobicContact CB-CD1 3.92Å; Q348-Y378 HydrophobicContact CB-CE1 4.13Å; Q348-Y378 HydrophobicContact CB-CG 4.4Å; Q348-Y378 HydrophobicContact CG-CD1 4.13Å; Q348-Y378 HydrophobicContact CG-CE1 3.95Å; S374-Y378 WeakPolarHBondContact O-CD1 3.42Å; S374-Y378 PolarHBondContact O-N 2.98Å; S374-Y378 VanDerWaalsContact O-N 3.17Å; Y378-W381 PolarHBondContact O-N 3.46Å; Y378-M382 HydrophobicContact CD2-SD 3.82Å; Y378-M382 HydrophobicContact CE2-SD 3.96Å; Y378-M382 WeakPolarHBondContact O-CG 3.48Å; Y378-M382 PolarHBondContact O-N 2.76Å; Y378-W394 HydrophobicContact CD2-CH2 4.24Å; Y378-W394 AromaticContact CE2-CH2 3.41Å; Y378-W394 HydrophobicContact CE2-CH2 3.41Å; Y378-W394 VanDerWaalsContact CE2-CH2 3.41Å; Y378-W394 AromaticContact CE2-CZ2 3.67Å; Y378-W394 HydrophobicContact CE2-CZ2 3.67Å; Y378-W394 HydrophobicContact CE2-CZ3 4.15Å; Y378-W394 AromaticContact CZ-CH2 3.89Å; Y378-W394 AromaticContact CZ-CZ2 3.94Å; Y378-W394 WeakPolarHBondContact OH-CZ2 3.26Å
379	G	92	Very high	91.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.9	-46.3	170.1	0	0	0	0	0	113.6	G375 Y376 I377 W381 M382 K383 Y391	G375-G379 PolarHBondContact O-N 3.09Å; Y376-G379 CarbonylContact O-C 3.56Å; Y376-G379 WeakPolarHBondContact O-CA 3.22Å; Y376-G379 PolarHBondContact O-N 3.31Å; I377-G379 PolarHBondContact O-N 2.96Å; G379-W381 VanDerWaalsContact C-N 3.26Å; G379-W381 PolarHBondContact O-N 3.02Å; G379-M382 PolarHBondContact O-N 2.68Å; G379-K383 WeakPolarHBondContact O-CB 3.28Å; G379-K383 PolarHBondContact O-N 3.43Å; G379-Y391 VanDerWaalsContact C-CE2 3.48Å; G379-Y391 VanDerWaalsContact O-CD2 3.23Å; G379-Y391 WeakPolarHBondContact O-CD2 3.18Å; G379-Y391 VanDerWaalsContact O-CE2 3.22Å; G379-Y391 WeakPolarHBondContact O-CE2 3.39Å
380	L	92.6	Very high	91.3	Very high	10 Å²	10	28.6 Å²	28.6	5%	0.052	15%	0.148	C	C	.	.	H	α-helix	trans	-59.6	-37.4	173	-72.1	-173.7	0	0	0	112.1	F290 I294 Y376 I377 K383 K384 M466	F290-L380 HydrophobicContact CE1-CB 4.47Å; F290-L380 HydrophobicContact CZ-CB 4.45Å; I294-L380 HydrophobicContact CD1-CB 4.12Å; I294-L380 HydrophobicContact CD1-CD1 3.97Å; Y376-L380 HydrophobicContact CD1-CD1 4.18Å; Y376-L380 HydrophobicContact CD1-CG 4.32Å; Y376-L380 HydrophobicContact CE1-CD1 3.46Å; Y376-L380 VanDerWaalsContact CE1-CD1 3.46Å; Y376-L380 HydrophobicContact CE1-CD2 4.37Å; Y376-L380 HydrophobicContact CE1-CG 3.84Å; Y376-L380 HydrophobicContact CE2-CD2 4.48Å; Y376-L380 PolarHBondContact O-N 2.78Å; I377-L380 PolarHBondContact O-N 3.19Å; L380-K383 HydrophobicContact CD2-CD 4.33Å; L380-K383 WeakPolarHBondContact O-CB 3.41Å; L380-K383 PolarHBondContact O-N 2.84Å; L380-K384 PolarHBondContact O-N 3.35Å; L380-K384 VanDerWaalsContact O-N 3.15Å; L380-M466 HydrophobicContact CD2-SD 4.48Å
381	W	93.6	Very high	91.3	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.011	15%	0.149	C	C	.	.	H	α-helix	trans	-67.9	-44.8	174.3	179.1	79.4	0	0	0	112.3	V287 F290 Y291 R343 A347 I377 Y378 G379 K383 K384 T385 F386	V287-W381 HydrophobicContact CG2-CH2 4.28Å; V287-W381 HydrophobicContact CG2-CZ2 3.56Å; F290-W381 HydrophobicContact CD1-CB 3.73Å; F290-W381 AromaticContact CD1-CD1 3.47Å; F290-W381 VanDerWaalsContact CD1-CD1 3.47Å; F290-W381 AromaticContact CD1-CG 3.99Å; F290-W381 HydrophobicContact CD1-CG 3.99Å; F290-W381 HydrophobicContact CE1-CB 3.44Å; F290-W381 VanDerWaalsContact CE1-CB 3.44Å; F290-W381 AromaticContact CE1-CD1 3.97Å; F290-W381 HydrophobicContact CE1-CG 4.13Å; F290-W381 AromaticContact CG-CD1 3.86Å; F290-W381 HydrophobicContact CZ-CB 4.33Å; Y291-W381 HydrophobicContact CE1-CB 4.04Å; R343-W381 HydrophobicContact CB-CH2 3.73Å; R343-W381 HydrophobicContact CB-CZ3 4.38Å; R343-W381 HydrophobicContact CG-CH2 4.48Å; R343-W381 VanDerWaalsContact O-CH2 3.24Å; R343-W381 WeakPolarHBondContact O-CH2 3.38Å; R343-W381 WeakPolarHBondContact O-CZ3 3.47Å; A347-W381 HydrophobicContact CB-CD2 3.92Å; A347-W381 HydrophobicContact CB-CE3 3.36Å; A347-W381 HydrophobicContact CB-CH2 3.84Å; A347-W381 HydrophobicContact CB-CZ2 4.44Å; A347-W381 HydrophobicContact CB-CZ3 3.32Å; I377-W381 PolarHBondContact O-N 2.99Å; Y378-W381 PolarHBondContact O-N 3.46Å; G379-W381 VanDerWaalsContact C-N 3.26Å; G379-W381 PolarHBondContact O-N 3.02Å; W381-K383 VanDerWaalsContact C-N 3.25Å; W381-K383 PolarHBondContact O-N 3.3Å; W381-K384 PolarHBondContact O-N 3.03Å; W381-T385 HydrophobicContact CZ2-CG2 4.16Å; W381-T385 PolarHBondContact NE1-OG1 3.48Å; W381-T385 WeakPolarHBondContact O-CB 3.5Å; W381-T385 PolarHBondContact O-N 2.85Å; W381-T385 PolarHBondContact O-OG1 3.45Å; W381-F386 HydrophobicContact CE3-CE2 4.49Å; W381-F386 HydrophobicContact CH2-CE2 4.32Å; W381-F386 AromaticContact CZ3-CE2 3.92Å; W381-F386 HydrophobicContact CZ3-CE2 3.92Å
382	M	90.9	Very high	91.3	Very high	12 Å²	12	29.7 Å²	29.7	6%	0.059	15%	0.151	C	C	.	.	H	α-helix	trans	-57.3	-40.2	174	-73.4	176.4	63.4	0	0	111.9	R344 Y378 G379 K384 F386 G387 W394	R344-M382 HydrophobicContact CG-SD 3.97Å; Y378-M382 HydrophobicContact CD2-SD 3.82Å; Y378-M382 HydrophobicContact CE2-SD 3.96Å; Y378-M382 WeakPolarHBondContact O-CG 3.48Å; Y378-M382 PolarHBondContact O-N 2.76Å; G379-M382 PolarHBondContact O-N 2.68Å; M382-K384 VanDerWaalsContact C-N 3.34Å; M382-K384 PolarHBondContact O-N 2.78Å; M382-F386 HydrophobicContact CB-CD2 4.24Å; M382-F386 HydrophobicContact CG-CD2 4.13Å; M382-F386 HydrophobicContact CG-CE2 4.35Å; M382-F386 PolarHBondContact O-N 3.24Å; M382-G387 PolarHBondContact O-N 2.84Å; M382-W394 HydrophobicContact CE-CB 4.29Å; M382-W394 HydrophobicContact CE-CD2 3.96Å; M382-W394 HydrophobicContact CE-CE3 3.99Å; M382-W394 HydrophobicContact CE-CG 4.07Å; M382-W394 HydrophobicContact SD-CD2 4.35Å; M382-W394 HydrophobicContact SD-CE3 4.07Å; M382-W394 HydrophobicContact SD-CZ3 4.26Å
383	K	91.8	Very high	91.2	Very high	74 Å²	74	31.1 Å²	31.1	32%	0.322	16%	0.158	S	C	.	.	H	α-helix	trans	-61.6	-35.6	175.1	-176.7	-171.1	176.2	-172.7	0	113.3	G379 L380 W381 G387 V388 Y391	G379-K383 WeakPolarHBondContact O-CB 3.28Å; G379-K383 PolarHBondContact O-N 3.43Å; L380-K383 HydrophobicContact CD2-CD 4.33Å; L380-K383 WeakPolarHBondContact O-CB 3.41Å; L380-K383 PolarHBondContact O-N 2.84Å; W381-K383 VanDerWaalsContact C-N 3.25Å; W381-K383 PolarHBondContact O-N 3.3Å; K383-G387 CarbonylContact O-C 3.6Å; K383-G387 VanDerWaalsContact O-C 3.31Å; K383-G387 VanDerWaalsContact O-CA 3.29Å; K383-G387 WeakPolarHBondContact O-CA 3.26Å; K383-V388 HydrophobicContact CG-CG2 4.12Å; K383-V388 PolarHBondContact O-N 2.98Å; K383-Y391 HydrophobicContact CB-CD1 3.75Å; K383-Y391 HydrophobicContact CB-CD2 4.13Å; K383-Y391 HydrophobicContact CB-CE1 4.21Å; K383-Y391 HydrophobicContact CB-CG 3.68Å; K383-Y391 HydrophobicContact CD-CD1 3.95Å; K383-Y391 HydrophobicContact CD-CE1 3.87Å; K383-Y391 HydrophobicContact CG-CD1 3.76Å; K383-Y391 HydrophobicContact CG-CE1 4.21Å; K383-Y391 HydrophobicContact CG-CG 4.18Å
384	K	91.3	Very high	91.1	Very high	141 Å²	141	31.2 Å²	31.2	61%	0.613	16%	0.158	S	C	*	.	H	α-helix	trans	-78.1	-48.3	176.3	177.9	81.3	174.5	-149.9	0	111.8	F290 L380 W381 M382	F290-K384 HydrophobicContact CD2-CB 4.48Å; F290-K384 HydrophobicContact CD2-CG 4.07Å; F290-K384 HydrophobicContact CE2-CB 3.66Å; F290-K384 HydrophobicContact CE2-CD 4.04Å; F290-K384 HydrophobicContact CE2-CG 3.59Å; F290-K384 HydrophobicContact CZ-CB 3.83Å; F290-K384 HydrophobicContact CZ-CG 4.29Å; L380-K384 PolarHBondContact O-N 3.35Å; L380-K384 VanDerWaalsContact O-N 3.15Å; W381-K384 PolarHBondContact O-N 3.03Å; M382-K384 VanDerWaalsContact C-N 3.34Å; M382-K384 PolarHBondContact O-N 2.78Å
385	T	88.1	Confident	91.1	Very high	48 Å²	48	31.2 Å²	31.2	29%	0.294	16%	0.158	S	C	.	.	H	α-helix	trans	-87.2	-40.1	-165.7	-55.4	0	0	0	0	113.4	W381	W381-T385 HydrophobicContact CZ2-CG2 4.16Å; W381-T385 PolarHBondContact NE1-OG1 3.48Å; W381-T385 WeakPolarHBondContact O-CB 3.5Å; W381-T385 PolarHBondContact O-N 2.85Å; W381-T385 PolarHBondContact O-OG1 3.45Å
386	F	84.8	Confident	91	Very high	58 Å²	58	31.5 Å²	31.5	25%	0.254	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-4.1	175.8	-54.4	-67.1	0	0	0	113	P340 R343 W381 M382 E390	P340-F386 HydrophobicContact CB-CE1 4Å; P340-F386 HydrophobicContact CB-CZ 4.15Å; R343-F386 HydrophobicContact CB-CZ 3.79Å; R343-F386 HydrophobicContact CG-CZ 4.5Å; W381-F386 HydrophobicContact CE3-CE2 4.49Å; W381-F386 HydrophobicContact CH2-CE2 4.32Å; W381-F386 AromaticContact CZ3-CE2 3.92Å; W381-F386 HydrophobicContact CZ3-CE2 3.92Å; M382-F386 HydrophobicContact CB-CD2 4.24Å; M382-F386 HydrophobicContact CG-CD2 4.13Å; M382-F386 HydrophobicContact CG-CE2 4.35Å; M382-F386 PolarHBondContact O-N 3.24Å; F386-E390 HydrophobicContact CB-CB 4Å; F386-E390 HydrophobicContact CB-CG 3.96Å
387	G	89.3	Confident	90.9	Very high	27 Å²	27	35.7 Å²	35.7	28%	0.278	18%	0.178	S	C	.	.			trans	86.8	161.1	177	0	0	0	0	0	114.2	M382 K383 N389 E390 Y391	M382-G387 PolarHBondContact O-N 2.84Å; K383-G387 CarbonylContact O-C 3.6Å; K383-G387 VanDerWaalsContact O-C 3.31Å; K383-G387 VanDerWaalsContact O-CA 3.29Å; K383-G387 WeakPolarHBondContact O-CA 3.26Å; G387-N389 VanDerWaalsContact C-N 3.28Å; G387-N389 PolarHBondContact O-N 2.75Å; G387-E390 PolarHBondContact O-N 3.34Å; G387-Y391 PolarHBondContact O-N 2.9Å
388	V	90.2	Very high	90.8	Very high	74 Å²	74	35.7 Å²	35.7	45%	0.448	18%	0.178	S	C	.	.	H	α-helix	trans	-59.6	-36.7	-172.2	-176.2	0	0	0	0	112.4	K383 Y391 R392	K383-V388 HydrophobicContact CG-CG2 4.12Å; K383-V388 PolarHBondContact O-N 2.98Å; V388-Y391 PolarHBondContact O-N 2.79Å; V388-R392 HydrophobicContact CG1-CG 4.13Å; V388-R392 WeakPolarHBondContact O-CG 3.4Å; V388-R392 PolarHBondContact O-N 3.14Å
389	N	90.1	Very high	90.7	Very high	73 Å²	73	35.6 Å²	35.6	39%	0.39	18%	0.179	S	C	.	.	H	α-helix	trans	-66.6	-39.9	-177.2	-75.4	-4.4	0	0	0	113.3	G387 H393 V659 F691	G387-N389 VanDerWaalsContact C-N 3.28Å; G387-N389 PolarHBondContact O-N 2.75Å; N389-H393 PolarHBondContact O-N 3.39Å; N389-H393 VanDerWaalsContact O-N 3.12Å; N389-V659 HydrophobicContact CB-CG2 3.89Å; N389-F691 HydrophobicContact CB-CD2 3.91Å; N389-F691 HydrophobicContact CB-CE2 4.08Å; N389-F691 HydrophobicContact CB-CG 4.26Å
390	E	88.8	Confident	90.6	Very high	22 Å²	22	39.1 Å²	39.1	10%	0.103	20%	0.197	C	C	.	.	H	α-helix	trans	-63.9	-45.3	173.2	-167.6	72.2	-146.1	0	0	110.3	F386 G387 R392 H393 W394 F691 Y692 R693	F386-E390 HydrophobicContact CB-CB 4Å; F386-E390 HydrophobicContact CB-CG 3.96Å; G387-E390 PolarHBondContact O-N 3.34Å; E390-R392 PolarHBondContact O-N 2.89Å; E390-H393 PolarHBondContact O-N 3.02Å; E390-W394 PolarHBondContact O-N 3.46Å; E390-F691 HydrophobicContact CB-CZ 4.36Å; E390-F691 VanDerWaalsContact OE2-CZ 3.26Å; E390-F691 WeakPolarHBondContact OE2-CZ 3.31Å; E390-Y692 VanDerWaalsContact CD-OH 3.24Å; E390-Y692 PolarHBondContact OE1-OH 3.45Å; E390-Y692 VanDerWaalsContact OE2-CE1 3.26Å; E390-Y692 WeakPolarHBondContact OE2-CE1 3.49Å; E390-Y692 VanDerWaalsContact OE2-CZ 3.31Å; E390-Y692 PolarHBondContact OE2-OH 3.05Å; E390-R693 IonicContact OE1-CZ 2.62Å; E390-R693 IonicContact OE1-NE 3.99Å; E390-R693 PolarHBondContact OE1-NE 3.03Å; E390-R693 IonicContact OE1-NH2 3.58Å; E390-R693 PolarHBondContact OE1-NH2 3.25Å; E390-R693 IonicContact OE2-NE 3.73Å
391	Y	91.9	Very high	90.5	Very high	9 Å²	9	42.6 Å²	42.6	4%	0.035	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-42.3	177.9	175.9	-113.2	0	0	0	113.2	G379 K383 G387 V388 W394 I395	G379-Y391 VanDerWaalsContact C-CE2 3.48Å; G379-Y391 VanDerWaalsContact O-CD2 3.23Å; G379-Y391 WeakPolarHBondContact O-CD2 3.18Å; G379-Y391 VanDerWaalsContact O-CE2 3.22Å; G379-Y391 WeakPolarHBondContact O-CE2 3.39Å; K383-Y391 HydrophobicContact CB-CD1 3.75Å; K383-Y391 HydrophobicContact CB-CD2 4.13Å; K383-Y391 HydrophobicContact CB-CE1 4.21Å; K383-Y391 HydrophobicContact CB-CG 3.68Å; K383-Y391 HydrophobicContact CD-CD1 3.95Å; K383-Y391 HydrophobicContact CD-CE1 3.87Å; K383-Y391 HydrophobicContact CG-CD1 3.76Å; K383-Y391 HydrophobicContact CG-CE1 4.21Å; K383-Y391 HydrophobicContact CG-CG 4.18Å; G387-Y391 PolarHBondContact O-N 2.9Å; V388-Y391 PolarHBondContact O-N 2.79Å; Y391-W394 AromaticContact CD2-CE3 3.85Å; Y391-W394 HydrophobicContact CD2-CE3 3.85Å; Y391-W394 HydrophobicContact CD2-CZ3 4.07Å; Y391-W394 HydrophobicContact CE2-CE3 4.1Å; Y391-W394 AromaticContact CE2-CZ3 3.88Å; Y391-W394 HydrophobicContact CE2-CZ3 3.88Å; Y391-W394 PolarHBondContact O-N 3.48Å; Y391-I395 HydrophobicContact CD1-CD1 3.84Å; Y391-I395 HydrophobicContact CD2-CD1 4.35Å; Y391-I395 HydrophobicContact CE1-CD1 3.46Å; Y391-I395 VanDerWaalsContact CE1-CD1 3.46Å; Y391-I395 HydrophobicContact CE2-CD1 3.98Å; Y391-I395 HydrophobicContact CE2-CG1 4.28Å; Y391-I395 HydrophobicContact CG-CD1 4.28Å; Y391-I395 WeakPolarHBondContact O-CG1 3.5Å; Y391-I395 PolarHBondContact O-N 3.14Å
392	R	90.9	Very high	90.4	Very high	41 Å²	41	42.5 Å²	42.5	16%	0.155	21%	0.209	C	C	.	.	H	α-helix	trans	-66.7	-38.6	175.8	-62.3	-156.9	93.2	-153.3	6.7	112.4	V388 E390 I395 K396 P632 D658 V660	V388-R392 HydrophobicContact CG1-CG 4.13Å; V388-R392 WeakPolarHBondContact O-CG 3.4Å; V388-R392 PolarHBondContact O-N 3.14Å; E390-R392 PolarHBondContact O-N 2.89Å; R392-I395 PolarHBondContact O-N 3.27Å; R392-K396 PolarHBondContact O-N 3.18Å; R392-K396 VanDerWaalsContact O-N 3.09Å; R392-P632 PolarHBondContact NH2-O 3.13Å; R392-D658 IonicContact CZ-OD1 3.59Å; R392-D658 IonicContact NH1-OD1 3.29Å; R392-D658 PolarHBondContact NH1-OD1 3.16Å; R392-D658 IonicContact NH1-OD2 2.65Å; R392-D658 PolarHBondContact NH1-OD2 2.94Å; R392-V660 HydrophobicContact CB-CG2 4.01Å
393	H	91.2	Very high	90.3	Very high	30 Å²	30	42.5 Å²	42.5	14%	0.139	21%	0.21	C	C	.	.	H	α-helix	trans	-63.9	-43.9	173.9	175.2	63	0	0	0	111.7	N389 E390 I395 K396 E397 V659 Q663 F691 R693	N389-H393 PolarHBondContact O-N 3.39Å; N389-H393 VanDerWaalsContact O-N 3.12Å; E390-H393 PolarHBondContact O-N 3.02Å; H393-I395 PolarHBondContact O-N 2.94Å; H393-K396 WeakPolarHBondContact O-CA 3.33Å; H393-K396 WeakPolarHBondContact O-CB 3.48Å; H393-K396 PolarHBondContact O-N 2.88Å; H393-K396 VanDerWaalsContact O-N 3.12Å; H393-E397 PolarHBondContact O-N 3.39Å; H393-V659 HydrophobicContact CB-CG1 4.16Å; H393-Q663 PolarHBondContact CE1-NE2 3.09Å; H393-Q663 PolarHBondContact ND1-NE2 2.78Å; H393-Q663 VanDerWaalsContact ND1-NE2 3.12Å; H393-Q663 PolarHBondContact ND1-OE1 3.39Å; H393-F691 HydrophobicContact CB-CE1 4Å; H393-R693 WeakPolarHBondContact CD2-CD 3.21Å; H393-R693 WeakPolarHBondContact NE2-CD 3.46Å
394	W	92.1	Very high	90.2	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.015	22%	0.215	C	C	.	.	H	α-helix	trans	-62.8	-41.4	176	171.4	51.5	0	0	0	112.5	R344 Y378 M382 E390 Y391 K396 E397 E398 H454	R344-W394 VanDerWaalsContact NH1-NE1 3.18Å; R344-W394 VanDerWaalsContact NH2-CZ2 3.26Å; Y378-W394 HydrophobicContact CD2-CH2 4.24Å; Y378-W394 AromaticContact CE2-CH2 3.41Å; Y378-W394 HydrophobicContact CE2-CH2 3.41Å; Y378-W394 VanDerWaalsContact CE2-CH2 3.41Å; Y378-W394 AromaticContact CE2-CZ2 3.67Å; Y378-W394 HydrophobicContact CE2-CZ2 3.67Å; Y378-W394 HydrophobicContact CE2-CZ3 4.15Å; Y378-W394 AromaticContact CZ-CH2 3.89Å; Y378-W394 AromaticContact CZ-CZ2 3.94Å; Y378-W394 WeakPolarHBondContact OH-CZ2 3.26Å; M382-W394 HydrophobicContact CE-CB 4.29Å; M382-W394 HydrophobicContact CE-CD2 3.96Å; M382-W394 HydrophobicContact CE-CE3 3.99Å; M382-W394 HydrophobicContact CE-CG 4.07Å; M382-W394 HydrophobicContact SD-CD2 4.35Å; M382-W394 HydrophobicContact SD-CE3 4.07Å; M382-W394 HydrophobicContact SD-CZ3 4.26Å; E390-W394 PolarHBondContact O-N 3.46Å; Y391-W394 AromaticContact CD2-CE3 3.85Å; Y391-W394 HydrophobicContact CD2-CE3 3.85Å; Y391-W394 HydrophobicContact CD2-CZ3 4.07Å; Y391-W394 HydrophobicContact CE2-CE3 4.1Å; Y391-W394 AromaticContact CE2-CZ3 3.88Å; Y391-W394 HydrophobicContact CE2-CZ3 3.88Å; Y391-W394 PolarHBondContact O-N 3.48Å; W394-K396 VanDerWaalsContact C-N 3.25Å; W394-K396 PolarHBondContact O-N 2.95Å; W394-E397 WeakPolarHBondContact O-CB 3.18Å; W394-E397 PolarHBondContact O-N 3.37Å; W394-E397 VanDerWaalsContact O-N 3.13Å; W394-E398 HydrophobicContact CD2-CG 4.25Å; W394-E398 VanDerWaalsContact CE2-CD 3.41Å; W394-E398 HydrophobicContact CG-CG 4.44Å; W394-E398 HydrophobicContact CZ2-CG 3.86Å; W394-E398 WeakPolarHBondContact CZ2-OE1 3.42Å; W394-E398 WeakPolarHBondContact CZ2-OE2 3.15Å; W394-E398 VanDerWaalsContact NE1-CG 3.27Å; W394-E398 PolarHBondContact NE1-OE1 2.96Å; W394-E398 WeakPolarHBondContact O-CG 3.03Å; W394-E398 PolarHBondContact O-N 3.28Å; W394-H454 AromaticContact CH2-CE1 3.14Å; W394-H454 WeakPolarHBondContact CH2-CE1 3.46Å; W394-H454 AromaticContact CH2-ND1 3.48Å; W394-H454 WeakPolarHBondContact CH2-ND1 3.44Å; W394-H454 AromaticContact CH2-NE2 3.79Å; W394-H454 AromaticContact CZ2-CE1 3.77Å; W394-H454 AromaticContact CZ2-ND1 3.77Å; W394-H454 AromaticContact CZ3-CE1 3.44Å; W394-H454 VanDerWaalsContact CZ3-CE1 3.44Å; W394-H454 WeakPolarHBondContact CZ3-CE1 3.5Å; W394-H454 AromaticContact CZ3-NE2 3.92Å
395	I	91.9	Very high	90	Very high	4 Å²	4	36 Å²	36	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-57.1	-41.2	172.1	-69.9	161.3	0	0	0	111.1	Y391 R392 H393 E398 L399 L455 M634	Y391-I395 HydrophobicContact CD1-CD1 3.84Å; Y391-I395 HydrophobicContact CD2-CD1 4.35Å; Y391-I395 HydrophobicContact CE1-CD1 3.46Å; Y391-I395 VanDerWaalsContact CE1-CD1 3.46Å; Y391-I395 HydrophobicContact CE2-CD1 3.98Å; Y391-I395 HydrophobicContact CE2-CG1 4.28Å; Y391-I395 HydrophobicContact CG-CD1 4.28Å; Y391-I395 WeakPolarHBondContact O-CG1 3.5Å; Y391-I395 PolarHBondContact O-N 3.14Å; R392-I395 PolarHBondContact O-N 3.27Å; H393-I395 PolarHBondContact O-N 2.94Å; I395-E398 PolarHBondContact O-N 2.74Å; I395-L399 PolarHBondContact O-N 2.76Å; I395-L455 HydrophobicContact CG2-CD2 3.99Å; I395-M634 HydrophobicContact CB-CE 3.95Å; I395-M634 HydrophobicContact CG2-CE 3.54Å; I395-M634 HydrophobicContact CG2-SD 4.1Å
396	K	90.5	Very high	89.9	Confident	10 Å²	10	33.7 Å²	33.7	4%	0.043	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-46.1	175.5	-164	-158.9	173.3	-176.4	0	111.2	R392 H393 W394 E398 L399 D400 M634 V660 E664	R392-K396 PolarHBondContact O-N 3.18Å; R392-K396 VanDerWaalsContact O-N 3.09Å; H393-K396 WeakPolarHBondContact O-CA 3.33Å; H393-K396 WeakPolarHBondContact O-CB 3.48Å; H393-K396 PolarHBondContact O-N 2.88Å; H393-K396 VanDerWaalsContact O-N 3.12Å; W394-K396 VanDerWaalsContact C-N 3.25Å; W394-K396 PolarHBondContact O-N 2.95Å; K396-E398 VanDerWaalsContact C-N 3.3Å; K396-E398 PolarHBondContact O-N 3.06Å; K396-L399 WeakPolarHBondContact O-CB 3.31Å; K396-L399 PolarHBondContact O-N 2.89Å; K396-L399 VanDerWaalsContact O-N 3.11Å; K396-D400 VanDerWaalsContact CE-OD2 3.28Å; K396-D400 WeakPolarHBondContact CE-OD2 3.3Å; K396-D400 WeakPolarHBondContact O-CB 3.24Å; K396-D400 VanDerWaalsContact O-CG 3.31Å; K396-D400 PolarHBondContact O-N 2.59Å; K396-M634 HydrophobicContact CB-SD 4.43Å; K396-V660 HydrophobicContact CD-CG1 4.43Å; K396-V660 HydrophobicContact CG-CG1 4.46Å; K396-E664 WeakPolarHBondContact CE-OE1 3.44Å; K396-E664 IonicContact NZ-OE1 3.44Å; K396-E664 PolarHBondContact NZ-OE1 3.3Å
397	E	91.1	Very high	90	Very high	88 Å²	88	33.2 Å²	33.2	41%	0.411	18%	0.176	S	C	.	.	H	α-helix	trans	-61.5	-33.8	176.6	-171.5	-165.8	-158.4	0	0	113	H393 W394 R401	H393-E397 PolarHBondContact O-N 3.39Å; W394-E397 WeakPolarHBondContact O-CB 3.18Å; W394-E397 PolarHBondContact O-N 3.37Å; W394-E397 VanDerWaalsContact O-N 3.13Å; E397-R401 WeakPolarHBondContact O-CB 3.5Å; E397-R401 WeakPolarHBondContact O-CG 3.39Å; E397-R401 PolarHBondContact O-N 3.42Å; E397-R401 PolarHBondContact O-NE 2.98Å
398	E	90.5	Very high	89.6	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.009	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-46.3	171.3	-58.1	-100.5	113.6	0	0	111.1	R344 W394 I395 K396 R401 I402 C451 H454 L455	R344-E398 IonicContact NH2-OE1 2.94Å; W394-E398 HydrophobicContact CD2-CG 4.25Å; W394-E398 VanDerWaalsContact CE2-CD 3.41Å; W394-E398 HydrophobicContact CG-CG 4.44Å; W394-E398 HydrophobicContact CZ2-CG 3.86Å; W394-E398 WeakPolarHBondContact CZ2-OE1 3.42Å; W394-E398 WeakPolarHBondContact CZ2-OE2 3.15Å; W394-E398 VanDerWaalsContact NE1-CG 3.27Å; W394-E398 PolarHBondContact NE1-OE1 2.96Å; W394-E398 WeakPolarHBondContact O-CG 3.03Å; W394-E398 PolarHBondContact O-N 3.28Å; I395-E398 PolarHBondContact O-N 2.74Å; K396-E398 VanDerWaalsContact C-N 3.3Å; K396-E398 PolarHBondContact O-N 3.06Å; E398-R401 PolarHBondContact O-N 3.27Å; E398-R401 IonicContact OE1-CZ 3.81Å; E398-R401 IonicContact OE1-NH1 2.81Å; E398-R401 IonicContact OE1-NH2 3.2Å; E398-R401 PolarHBondContact OE1-NH2 3.18Å; E398-I402 WeakPolarHBondContact O-CD1 3.46Å; E398-I402 WeakPolarHBondContact O-CG1 3.38Å; E398-I402 PolarHBondContact O-N 3.05Å; E398-I402 VanDerWaalsContact O-N 3.14Å; E398-C451 VanDerWaalsContact CD-SG 3.56Å; E398-C451 PolarHBondContact OE1-SG 3.13Å; E398-H454 IonicContact OE2-CE1 3.69Å; E398-H454 IonicContact OE2-CG 2.82Å; E398-H454 IonicContact OE2-ND1 2.82Å; E398-H454 PolarHBondContact OE2-ND1 3.37Å; E398-L455 HydrophobicContact CB-CD1 4.34Å; E398-L455 HydrophobicContact CB-CD2 4.31Å; E398-L455 HydrophobicContact CB-CG 4.45Å
399	L	91.1	Very high	88.8	Confident	18 Å²	18	39 Å²	39	9%	0.094	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-50	178.8	-179.8	61.3	0	0	0	111.3	I395 K396 R401 I402 V403 L455 L637	I395-L399 PolarHBondContact O-N 2.76Å; K396-L399 WeakPolarHBondContact O-CB 3.31Å; K396-L399 PolarHBondContact O-N 2.89Å; K396-L399 VanDerWaalsContact O-N 3.11Å; L399-R401 VanDerWaalsContact C-N 3.27Å; L399-R401 PolarHBondContact O-N 3.24Å; L399-I402 PolarHBondContact O-N 2.85Å; L399-I402 VanDerWaalsContact O-N 3.15Å; L399-V403 HydrophobicContact CD1-CG2 4.07Å; L399-V403 HydrophobicContact CG-CG2 4.26Å; L399-V403 WeakPolarHBondContact O-CB 3.41Å; L399-V403 VanDerWaalsContact O-CG2 3.23Å; L399-V403 WeakPolarHBondContact O-CG2 3.18Å; L399-V403 PolarHBondContact O-N 3.24Å; L399-L455 HydrophobicContact CB-CD1 4.19Å; L399-L455 HydrophobicContact CD1-CD1 4.32Å; L399-L637 HydrophobicContact CD1-CB 4.3Å; L399-L637 HydrophobicContact CD1-CD2 4.33Å
400	D	90.6	Very high	88.1	Confident	74 Å²	74	35.9 Å²	35.9	40%	0.396	18%	0.177	S	C	.	.	H	α-helix	trans	-58.5	-37.9	179.6	-71.6	-23.3	0	0	0	111.6	K396 A404	K396-D400 VanDerWaalsContact CE-OD2 3.28Å; K396-D400 WeakPolarHBondContact CE-OD2 3.3Å; K396-D400 WeakPolarHBondContact O-CB 3.24Å; K396-D400 VanDerWaalsContact O-CG 3.31Å; K396-D400 PolarHBondContact O-N 2.59Å; D400-A404 VanDerWaalsContact O-CB 3.23Å; D400-A404 WeakPolarHBondContact O-CB 3.45Å; D400-A404 PolarHBondContact O-N 3.06Å
401	R	90.4	Very high	87.4	Confident	82 Å²	82	35.4 Å²	35.4	31%	0.309	18%	0.178	S	C	.	.	H	α-helix	trans	-66.8	-45	174.6	-79.8	178.9	-71.2	138.1	-1.1	112.8	E397 E398 L399 A404 Y405 M448 C451	E397-R401 WeakPolarHBondContact O-CB 3.5Å; E397-R401 WeakPolarHBondContact O-CG 3.39Å; E397-R401 PolarHBondContact O-N 3.42Å; E397-R401 PolarHBondContact O-NE 2.98Å; E398-R401 PolarHBondContact O-N 3.27Å; E398-R401 IonicContact OE1-CZ 3.81Å; E398-R401 IonicContact OE1-NH1 2.81Å; E398-R401 IonicContact OE1-NH2 3.2Å; E398-R401 PolarHBondContact OE1-NH2 3.18Å; L399-R401 VanDerWaalsContact C-N 3.27Å; L399-R401 PolarHBondContact O-N 3.24Å; R401-A404 PolarHBondContact O-N 3.23Å; R401-Y405 PolarHBondContact O-N 3.42Å; R401-M448 HydrophobicContact CB-CE 4.21Å; R401-M448 HydrophobicContact CB-SD 4.18Å; R401-C451 PolarHBondContact NH1-SG 3.1Å; R401-C451 VanDerWaalsContact NH1-SG 3.4Å
402	I	90.4	Very high	87	Confident	1 Å²	1	35 Å²	35	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-63.7	-44.4	176.2	-66.2	159.5	0	0	0	110.3	E398 L399 A404 Y405 E406 M448 C451 K452 L455 V528	E398-I402 WeakPolarHBondContact O-CD1 3.46Å; E398-I402 WeakPolarHBondContact O-CG1 3.38Å; E398-I402 PolarHBondContact O-N 3.05Å; E398-I402 VanDerWaalsContact O-N 3.14Å; L399-I402 PolarHBondContact O-N 2.85Å; L399-I402 VanDerWaalsContact O-N 3.15Å; I402-A404 VanDerWaalsContact C-N 3.34Å; I402-A404 PolarHBondContact O-N 3.18Å; I402-Y405 PolarHBondContact O-N 2.64Å; I402-Y405 VanDerWaalsContact O-N 3.16Å; I402-E406 HydrophobicContact CG2-CG 4.02Å; I402-E406 PolarHBondContact O-N 3.16Å; I402-M448 HydrophobicContact CG1-SD 4.28Å; I402-C451 HydrophobicContact CD1-CB 3.79Å; I402-C451 HydrophobicContact CG1-CB 4.06Å; I402-K452 HydrophobicContact CD1-CB 4.12Å; I402-L455 HydrophobicContact CD1-CD1 3.62Å; I402-L455 HydrophobicContact CD1-CG 4.37Å; I402-V528 HydrophobicContact CG2-CG2 4.29Å
403	V	90.2	Very high	86.6	Confident	13 Å²	13	33.2 Å²	33.2	8%	0.079	17%	0.17	C	C	.	.	H	α-helix	trans	-59.2	-43.8	175.7	172.6	0	0	0	0	111.2	L399 Y405 L407 V528 K639	L399-V403 HydrophobicContact CD1-CG2 4.07Å; L399-V403 HydrophobicContact CG-CG2 4.26Å; L399-V403 WeakPolarHBondContact O-CB 3.41Å; L399-V403 VanDerWaalsContact O-CG2 3.23Å; L399-V403 WeakPolarHBondContact O-CG2 3.18Å; L399-V403 PolarHBondContact O-N 3.24Å; V403-Y405 VanDerWaalsContact C-N 3.29Å; V403-Y405 PolarHBondContact O-N 2.94Å; V403-L407 HydrophobicContact CG1-CD1 3.79Å; V403-L407 WeakPolarHBondContact O-CB 3.34Å; V403-L407 WeakPolarHBondContact O-CD1 2.98Å; V403-L407 VanDerWaalsContact O-CG 3.22Å; V403-L407 WeakPolarHBondContact O-CG 3.48Å; V403-L407 PolarHBondContact O-N 2.81Å; V403-V528 HydrophobicContact CG2-CG1 3.94Å; V403-V528 HydrophobicContact CG2-CG2 4.09Å; V403-K639 HydrophobicContact CG1-CB 3.91Å; V403-K639 HydrophobicContact CG1-CD 4.21Å; V403-K639 HydrophobicContact CG1-CG 4.06Å
404	A	89.2	Confident	86	Confident	51 Å²	51	31.9 Å²	31.9	42%	0.421	16%	0.164	S	C	.	.	H	α-helix	trans	-70.5	-20.7	178.1	0	0	0	0	0	114.2	D400 R401 I402 K408	D400-A404 VanDerWaalsContact O-CB 3.23Å; D400-A404 WeakPolarHBondContact O-CB 3.45Å; D400-A404 PolarHBondContact O-N 3.06Å; R401-A404 PolarHBondContact O-N 3.23Å; I402-A404 VanDerWaalsContact C-N 3.34Å; I402-A404 PolarHBondContact O-N 3.18Å; A404-K408 VanDerWaalsContact O-CD 3.24Å; A404-K408 WeakPolarHBondContact O-CD 3.44Å; A404-K408 WeakPolarHBondContact O-CE 3.49Å; A404-K408 VanDerWaalsContact O-CG 3.31Å; A404-K408 WeakPolarHBondContact O-CG 3.32Å
405	Y	87.5	Confident	84.8	Confident	27 Å²	27	33.6 Å²	33.6	11%	0.106	17%	0.172	C	C	.	.	H	α-helix	trans	-91.6	-52.6	177	-175.9	-91.9	0	0	0	112.6	R401 I402 V403 L407 K408 T409 V412 E444 Y445 M448	R401-Y405 PolarHBondContact O-N 3.42Å; I402-Y405 PolarHBondContact O-N 2.64Å; I402-Y405 VanDerWaalsContact O-N 3.16Å; V403-Y405 VanDerWaalsContact C-N 3.29Å; V403-Y405 PolarHBondContact O-N 2.94Å; Y405-L407 VanDerWaalsContact C-N 3.26Å; Y405-L407 PolarHBondContact O-N 3.25Å; Y405-K408 PolarHBondContact O-N 3.18Å; Y405-T409 PolarHBondContact O-N 3.13Å; Y405-V412 HydrophobicContact CD1-CG2 3.85Å; Y405-V412 HydrophobicContact CE1-CG2 3.74Å; Y405-E444 HydrophobicContact CE2-CB 3.83Å; Y405-Y445 HydrophobicContact CE1-CD2 4.47Å; Y405-M448 HydrophobicContact CD1-CB 4.29Å; Y405-M448 HydrophobicContact CD1-CG 3.85Å; Y405-M448 HydrophobicContact CD2-CG 4.02Å; Y405-M448 HydrophobicContact CE1-CG 4.41Å; Y405-M448 HydrophobicContact CG-CG 3.63Å; Y405-M448 HydrophobicContact CG-SD 4.39Å
406	E	86.1	Confident	83.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.8	-34.4	-175.5	-65.7	-160	167	0	0	111.7	I402 K408 G410 V412 K452 G527 V528 G556	I402-E406 HydrophobicContact CG2-CG 4.02Å; I402-E406 PolarHBondContact O-N 3.16Å; E406-K408 VanDerWaalsContact C-N 3.26Å; E406-K408 PolarHBondContact O-N 3Å; E406-G410 WeakPolarHBondContact CA-O 3.27Å; E406-G410 CarbonylContact O-C 3.48Å; E406-G410 VanDerWaalsContact O-CA 3.27Å; E406-G410 WeakPolarHBondContact O-CA 3.09Å; E406-G410 PolarHBondContact O-N 3.16Å; E406-V412 HydrophobicContact CG-CG2 4.3Å; E406-V412 WeakPolarHBondContact OE1-CB 3.19Å; E406-V412 PolarHBondContact OE1-N 3.41Å; E406-K452 IonicContact OE1-NZ 3.59Å; E406-K452 PolarHBondContact OE1-NZ 2.9Å; E406-K452 IonicContact OE2-NZ 2.71Å; E406-G527 WeakPolarHBondContact OE2-CA 3.48Å; E406-V528 HydrophobicContact CB-CG2 4.2Å; E406-V528 PolarHBondContact OE2-N 3.09Å; E406-G556 WeakPolarHBondContact O-CA 3.42Å
407	L	85.3	Confident	82.4	Confident	47 Å²	47	39 Å²	39	25%	0.246	20%	0.201	C	C	.	.	H	α-helix	trans	-74.5	-6.6	174.9	-62.5	179.8	0	0	0	114.8	V403 Y405 T557 K639	V403-L407 HydrophobicContact CG1-CD1 3.79Å; V403-L407 WeakPolarHBondContact O-CB 3.34Å; V403-L407 WeakPolarHBondContact O-CD1 2.98Å; V403-L407 VanDerWaalsContact O-CG 3.22Å; V403-L407 WeakPolarHBondContact O-CG 3.48Å; V403-L407 PolarHBondContact O-N 2.81Å; Y405-L407 VanDerWaalsContact C-N 3.26Å; Y405-L407 PolarHBondContact O-N 3.25Å; L407-T557 HydrophobicContact CD2-CG2 3.44Å; L407-T557 VanDerWaalsContact CD2-CG2 3.44Å; L407-K639 HydrophobicContact CD1-CD 4.28Å
408	K	81.9	Confident	80.8	Confident	175 Å²	175	38.9 Å²	38.9	76%	0.761	20%	0.199	S	C	*	.	H	α-helix	trans	-106.1	-45.5	175.9	-72.7	-178.3	-174.2	176.4	0	112.7	A404 Y405 E406	A404-K408 VanDerWaalsContact O-CD 3.24Å; A404-K408 WeakPolarHBondContact O-CD 3.44Å; A404-K408 WeakPolarHBondContact O-CE 3.49Å; A404-K408 VanDerWaalsContact O-CG 3.31Å; A404-K408 WeakPolarHBondContact O-CG 3.32Å; Y405-K408 PolarHBondContact O-N 3.18Å; E406-K408 VanDerWaalsContact C-N 3.26Å; E406-K408 PolarHBondContact O-N 3Å
409	T	72.6	Confident	78.5	Confident	47 Å²	47	41.4 Å²	41.4	29%	0.288	23%	0.226	S	C	.	.	H	α-helix	trans	-110	-16	-167.9	-42.9	0	0	0	0	112.5	Y405	Y405-T409 PolarHBondContact O-N 3.13Å
410	G	75.6	Confident	76	Confident	8 Å²	8	45.2 Å²	45.2	8%	0.082	27%	0.269	C	S	.	.			trans	101.6	166.7	-169.4	0	0	0	0	0	112.7	E406	E406-G410 WeakPolarHBondContact CA-O 3.27Å; E406-G410 CarbonylContact O-C 3.48Å; E406-G410 VanDerWaalsContact O-CA 3.27Å; E406-G410 WeakPolarHBondContact O-CA 3.09Å; E406-G410 PolarHBondContact O-N 3.16Å
411	G	75.3	Confident	73.4	Confident	12 Å²	12	43.8 Å²	43.8	12%	0.124	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-65.8	144.6	-171.3	0	0	0	0	0	114.7
412	V	81.8	Confident	71.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-86	120.1	171.6	178	0	0	0	0	109	Y405 E406 Y445 M448 F449 K452 S526	Y405-V412 HydrophobicContact CD1-CG2 3.85Å; Y405-V412 HydrophobicContact CE1-CG2 3.74Å; E406-V412 HydrophobicContact CG-CG2 4.3Å; E406-V412 WeakPolarHBondContact OE1-CB 3.19Å; E406-V412 PolarHBondContact OE1-N 3.41Å; V412-Y445 HydrophobicContact CB-CE2 4.29Å; V412-Y445 HydrophobicContact CG1-CE1 4.05Å; V412-Y445 HydrophobicContact CG1-CE2 4.12Å; V412-Y445 HydrophobicContact CG2-CD2 4.24Å; V412-Y445 HydrophobicContact CG2-CE2 4.16Å; V412-M448 HydrophobicContact CG2-CB 3.84Å; V412-F449 HydrophobicContact CG1-CB 4.03Å; V412-K452 HydrophobicContact CB-CD 4.09Å; V412-K452 HydrophobicContact CG1-CD 4.38Å; V412-K452 WeakPolarHBondContact O-CD 3.18Å; V412-K452 WeakPolarHBondContact O-CE 3.24Å; V412-K452 PolarHBondContact O-NZ 2.85Å; V412-S526 VanDerWaalsContact O-CB 3.31Å; V412-S526 WeakPolarHBondContact O-CB 3.31Å
413	L	82.8	Confident	68.9	Low	5 Å²	5	57.7 Å²	57.7	3%	0.026	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-96	131.2	178.7	-173.2	61.7	0	0	0	110	P416 P427 I435 Y445 V523 D524	L413-P416 HydrophobicContact CD2-CB 3.87Å; L413-P416 HydrophobicContact CG-CB 4.48Å; L413-P427 HydrophobicContact CD2-CG 4.32Å; L413-I435 HydrophobicContact CB-CD1 4.06Å; L413-I435 HydrophobicContact CD2-CD1 4.2Å; L413-Y445 PolarHBondContact N-OH 2.74Å; L413-Y445 PolarHBondContact O-OH 2.68Å; L413-V523 WeakPolarHBondContact CD1-O 3.49Å; L413-D524 VanDerWaalsContact CD1-C 3.5Å; L413-D524 VanDerWaalsContact CD1-O 3.3Å; L413-D524 WeakPolarHBondContact CD1-O 3.22Å
414	L	79.5	Confident	67	Low	2 Å²	2	66.5 Å²	66.5	1%	0.01	38%	0.375	C	S	.	.	S	Bend	trans	-94.1	-46.7	-175.7	-64.6	-176.3	0	0	0	112.4	W368 F449 K452 V456 V523	W368-L414 HydrophobicContact CB-CB 4.07Å; W368-L414 HydrophobicContact CB-CD1 4.45Å; W368-L414 HydrophobicContact CB-CD2 4.22Å; W368-L414 HydrophobicContact CB-CG 4.48Å; W368-L414 HydrophobicContact CD2-CD1 4.47Å; W368-L414 HydrophobicContact CE3-CD1 4.37Å; W368-L414 HydrophobicContact CG-CB 4.04Å; L414-F449 HydrophobicContact CD2-CD2 3.5Å; L414-F449 HydrophobicContact CD2-CE2 3.89Å; L414-F449 HydrophobicContact CD2-CG 4.14Å; L414-K452 HydrophobicContact CD1-CG 4.23Å; L414-K452 HydrophobicContact CD2-CB 4.25Å; L414-K452 HydrophobicContact CD2-CD 4.42Å; L414-K452 HydrophobicContact CD2-CG 4.33Å; L414-K452 HydrophobicContact CG-CD 4.37Å; L414-K452 HydrophobicContact CG-CG 4.39Å; L414-V456 HydrophobicContact CD1-CB 4.34Å; L414-V456 HydrophobicContact CD1-CG2 3.89Å; L414-V523 HydrophobicContact CB-CB 4.39Å; L414-V523 HydrophobicContact CB-CG1 3.69Å; L414-V523 HydrophobicContact CD1-CG1 4.44Å; L414-V523 HydrophobicContact CD1-CG2 4.35Å; L414-V523 PolarHBondContact N-O 2.9Å
415	H	67.4	Low	64.9	Low	39 Å²	39	70.4 Å²	70.4	18%	0.181	39%	0.389	C	S	.	.	S	Bend	trans	-123.2	91	175.6	-172.4	-77.7	0	0	0	110.5	S365 I417 V523 D524	S365-H415 PolarHBondContact O-CD2 2.82Å; S365-H415 VanDerWaalsContact O-CD2 3.3Å; S365-H415 PolarHBondContact OG-NE2 2.94Å; H415-I417 PolarHBondContact O-N 3.11Å; H415-I417 VanDerWaalsContact O-N 3.13Å; H415-V523 HydrophobicContact CB-CG1 3.58Å; H415-V523 PolarHBondContact N-O 3.05Å; H415-D524 IonicContact ND1-OD1 2.79Å
416	P	65.4	Low	63.3	Low	10 Å²	10	72.3 Å²	72.3	7%	0.065	40%	0.401	C	S	.	.			trans	-64.6	113.8	172.6	26.8	-35.6	0	0	0	111.3	L413 F418 I435	L413-P416 HydrophobicContact CD2-CB 3.87Å; L413-P416 HydrophobicContact CG-CB 4.48Å; P416-F418 HydrophobicContact CB-CD1 4.23Å; P416-F418 HydrophobicContact CB-CE1 3.55Å; P416-F418 HydrophobicContact CB-CE2 4.19Å; P416-F418 HydrophobicContact CB-CZ 3.52Å; P416-F418 HydrophobicContact CG-CE1 3.84Å; P416-F418 HydrophobicContact CG-CE2 3.71Å; P416-F418 HydrophobicContact CG-CZ 3.22Å; P416-F418 PolarHBondContact O-N 3.36Å; P416-I435 HydrophobicContact CG-CB 4.45Å; P416-I435 HydrophobicContact CG-CG2 4.01Å
417	I	65.9	Low	61.6	Low	119 Å²	119	77.1 Å²	77.1	61%	0.61	43%	0.432	S	S	*	.			trans	-71.9	94.6	171	-57	178	0	0	0	108.4	H415 G419 D524	H415-I417 PolarHBondContact O-N 3.11Å; H415-I417 VanDerWaalsContact O-N 3.13Å; I417-G419 PolarHBondContact O-N 3.27Å; I417-D524 HydrophobicContact CD1-CB 4.02Å; I417-D524 HydrophobicContact CG1-CB 4.46Å
418	F	57.5	Low	60.1	Low	84 Å²	84	75.5 Å²	75.5	37%	0.368	43%	0.425	S	S	.	.			trans	-73.8	109.1	175.5	-59.7	-53.5	0	0	0	110.9	P416 G420 K436	P416-F418 HydrophobicContact CB-CD1 4.23Å; P416-F418 HydrophobicContact CB-CE1 3.55Å; P416-F418 HydrophobicContact CB-CE2 4.19Å; P416-F418 HydrophobicContact CB-CZ 3.52Å; P416-F418 HydrophobicContact CG-CE1 3.84Å; P416-F418 HydrophobicContact CG-CE2 3.71Å; P416-F418 HydrophobicContact CG-CZ 3.22Å; P416-F418 PolarHBondContact O-N 3.36Å; F418-G420 PolarHBondContact O-N 2.93Å; F418-K436 HydrophobicContact CD1-CD 4.36Å; F418-K436 HydrophobicContact CD1-CG 4.03Å; F418-K436 HydrophobicContact CE1-CD 4.06Å; F418-K436 VanDerWaalsContact CE1-CE 3.43Å; F418-K436 HydrophobicContact CE1-CG 3.32Å; F418-K436 HydrophobicContact CE2-CG 3.93Å; F418-K436 HydrophobicContact CZ-CB 4.1Å; F418-K436 HydrophobicContact CZ-CD 4.39Å; F418-K436 HydrophobicContact CZ-CG 3.26Å
419	G	43	Very low	58.5	Low	56 Å²	56	71.3 Å²	71.3	58%	0.577	42%	0.418	S	S	*	.			trans	-53.4	132.8	165.5	0	0	0	0	0	110.6	I417 G421	I417-G419 PolarHBondContact O-N 3.27Å; G419-G421 PolarHBondContact O-N 3.12Å
420	G	37	Very low	57.7	Low	97 Å²	97	74.3 Å²	74.3	100%	1	43%	0.428	S	S	*	.	S	Bend	trans	-74.7	53.1	-175.3	0	0	0	0	0	113.9	F418	F418-G420 PolarHBondContact O-N 2.93Å
421	G	35.6	Very low	57	Low	45 Å²	45	75 Å²	75	46%	0.464	43%	0.43	S	S	.	.	S	Bend	trans	-156.8	-178	-174.5	0	0	0	0	0	112.8	G419 E423	G419-G421 PolarHBondContact O-N 3.12Å; G421-E423 PolarHBondContact O-N 3.15Å
422	K	44	Very low	56.4	Low	217 Å²	217	74.9 Å²	74.9	94%	0.943	43%	0.427	S	S	*	.	S	Bend	trans	-86.6	19.4	175.7	-67.4	-175.5	177.2	179.5	0	113
423	E	43.2	Very low	55.6	Low	157 Å²	157	75.5 Å²	75.5	73%	0.734	43%	0.429	S	S	*	.			trans	-81.7	152	-173.4	-69.7	171.7	136.3	0	0	111.5	G421 D425	G421-E423 PolarHBondContact O-N 3.15Å; E423-D425 VanDerWaalsContact C-N 3.28Å; E423-D425 PolarHBondContact O-N 3.48Å
424	K	51.4	Low	54.8	Low	198 Å²	198	75.9 Å²	75.9	86%	0.861	43%	0.432	S	S	*	.			trans	-91.9	28.9	-166.4	-71.1	-173.1	175.4	-178.9	0	113.5	N426	K424-N426 PolarHBondContact O-N 3.01Å
425	D	45.1	Very low	54.4	Low	134 Å²	134	76.3 Å²	76.3	72%	0.717	44%	0.435	S	S	*	.			trans	-77.7	67	-176.7	-71.5	6	0	0	0	111.6	E423 P427	E423-D425 VanDerWaalsContact C-N 3.28Å; E423-D425 PolarHBondContact O-N 3.48Å; D425-P427 WeakPolarHBondContact O-CD 3.34Å
426	N	53.3	Low	54.5	Low	66 Å²	66	78.6 Å²	78.6	35%	0.353	44%	0.444	S	S	.	.			trans	-87.4	97.6	152.1	-86.5	6.5	0	0	0	106.9	K424 A428 S429	K424-N426 PolarHBondContact O-N 3.01Å; N426-A428 PolarHBondContact O-N 2.99Å; N426-S429 PolarHBondContact O-N 3.2Å
427	P	50.4	Low	54.9	Low	102 Å²	102	78.6 Å²	78.6	66%	0.662	44%	0.443	S	S	*	.	S	Bend	trans	-62.9	-22.3	175.6	25.4	-34.5	0	0	0	112.5	L413 D425 S429	L413-P427 HydrophobicContact CD2-CG 4.32Å; D425-P427 WeakPolarHBondContact O-CD 3.34Å; P427-S429 PolarHBondContact O-N 3.4Å; P427-S429 VanDerWaalsContact O-N 3.09Å
428	A	52.4	Low	55.4	Low	12 Å²	12	73.5 Å²	73.5	10%	0.099	42%	0.418	C	S	.	.			trans	-81.5	60.1	169.1	0	0	0	0	0	111.8	N426 H430 L431 I435	N426-A428 PolarHBondContact O-N 2.99Å; A428-H430 PolarHBondContact O-N 2.95Å; A428-H430 VanDerWaalsContact O-N 3.16Å; A428-L431 HydrophobicContact CB-CB 4.31Å; A428-L431 PolarHBondContact O-N 2.77Å; A428-I435 HydrophobicContact CB-CD1 4.12Å
429	S	49.5	Very low	56.3	Low	88 Å²	88	70.2 Å²	70.2	62%	0.615	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-19	178.8	58.3	0	0	0	0	114.1	N426 P427 L431	N426-S429 PolarHBondContact O-N 3.2Å; P427-S429 PolarHBondContact O-N 3.4Å; P427-S429 VanDerWaalsContact O-N 3.09Å; S429-L431 VanDerWaalsContact C-N 3.33Å
430	H	56.2	Low	58	Low	109 Å²	109	67.6 Å²	67.6	51%	0.505	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-18.7	174.2	-53.9	-63.8	0	0	0	113.9	A428	A428-H430 PolarHBondContact O-N 2.95Å; A428-H430 VanDerWaalsContact O-N 3.16Å
431	L	60.5	Low	60	Low	22 Å²	22	63.5 Å²	63.5	12%	0.115	33%	0.332	C	S	.	.			trans	-89	119.4	-178	-170.7	70	0	0	0	110.4	A428 S429 F433 I435 Y445	A428-L431 HydrophobicContact CB-CB 4.31Å; A428-L431 PolarHBondContact O-N 2.77Å; S429-L431 VanDerWaalsContact C-N 3.33Å; L431-F433 HydrophobicContact CD1-CD2 4.21Å; L431-F433 HydrophobicContact CD2-CB 4.25Å; L431-F433 HydrophobicContact CG-CB 4.09Å; L431-F433 HydrophobicContact CG-CD2 4.5Å; L431-F433 PolarHBondContact O-N 3.03Å; L431-I435 HydrophobicContact CD2-CD1 3.98Å; L431-I435 HydrophobicContact CD2-CG1 3.64Å; L431-Y445 HydrophobicContact CD1-CD2 4.12Å; L431-Y445 HydrophobicContact CD1-CE2 4.48Å; L431-Y445 HydrophobicContact CD2-CD2 4.3Å; L431-Y445 HydrophobicContact CD2-CE2 3.98Å
432	H	62.9	Low	62.3	Low	11 Å²	11	61.7 Å²	61.7	5%	0.051	31%	0.312	C	S	.	.	S	Bend	trans	-68.8	2.3	176.7	49.4	-84.3	0	0	0	114.9	L103 S107 D973 F976 L981	L103-H432 HydrophobicContact CD2-CB 3.9Å; L103-H432 HydrophobicContact CG-CB 4.24Å; S107-H432 WeakPolarHBondContact CB-O 3.46Å; S107-H432 PolarHBondContact OG-O 3.44Å; H432-D973 IonicContact CE1-OD1 2.81Å; H432-D973 PolarHBondContact CE1-OD1 2.98Å; H432-D973 IonicContact NE2-OD1 3.7Å; H432-D973 PolarHBondContact NE2-OD1 2.92Å; H432-F976 HydrophobicContact CB-CD2 4.07Å; H432-F976 AromaticContact CE1-CD1 3.78Å; H432-F976 AromaticContact CE1-CG 3.69Å; H432-F976 AromaticContact CG-CD2 3.91Å; H432-F976 AromaticContact ND1-CD1 3.81Å; H432-F976 AromaticContact ND1-CD2 3.51Å; H432-F976 AromaticContact ND1-CE2 3.85Å; H432-F976 AromaticContact ND1-CG 3.48Å; H432-F976 WeakPolarHBondContact ND1-CG 3.28Å; H432-L981 HydrophobicContact CB-CD2 3.95Å
433	F	64.7	Low	64.2	Low	12 Å²	12	54.1 Å²	54.1	5%	0.053	28%	0.277	C	S	.	.	S	Bend	trans	-118	159.4	-177.5	-65.9	-63.1	0	0	0	113.3	L431 T440 C969 V972 D973	L431-F433 HydrophobicContact CD1-CD2 4.21Å; L431-F433 HydrophobicContact CD2-CB 4.25Å; L431-F433 HydrophobicContact CG-CB 4.09Å; L431-F433 HydrophobicContact CG-CD2 4.5Å; L431-F433 PolarHBondContact O-N 3.03Å; F433-T440 WeakPolarHBondContact CB-O 3.48Å; F433-T440 WeakPolarHBondContact CD1-O 3.28Å; F433-T440 WeakPolarHBondContact CG-O 3.39Å; F433-C969 HydrophobicContact CE1-CB 4.25Å; F433-C969 HydrophobicContact CZ-CB 3.95Å; F433-V972 HydrophobicContact CD1-CG1 4.33Å; F433-V972 HydrophobicContact CE1-CB 3.75Å; F433-V972 HydrophobicContact CE1-CG1 3.52Å; F433-V972 HydrophobicContact CE1-CG2 4.32Å; F433-V972 HydrophobicContact CZ-CB 3.96Å; F433-V972 HydrophobicContact CZ-CG1 3.9Å; F433-D973 WeakPolarHBondContact CE2-OD1 3.44Å; F433-D973 WeakPolarHBondContact CZ-OD1 3.24Å
434	S	66.1	Low	66.2	Low	14 Å²	14	49.3 Å²	49.3	10%	0.098	26%	0.255	C	S	.	.			trans	-85.1	134	164.8	-164.3	0	0	0	0	111.2	K436 T440	S434-K436 PolarHBondContact O-N 3.5Å; S434-K436 WeakPolarHBondContact OG-CB 3.35Å; S434-K436 PolarHBondContact OG-N 3.4Å; S434-T440 WeakPolarHBondContact O-CB 3.42Å; S434-T440 PolarHBondContact O-OG1 3.39Å
435	I	71.4	Confident	67.9	Low	11 Å²	11	40.1 Å²	40.1	6%	0.056	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-5.4	174.3	-47.3	175.3	0	0	0	111	W364 L413 P416 A428 L431 H437	W364-I435 PolarHBondContact NE1-O 2.86Å; L413-I435 HydrophobicContact CB-CD1 4.06Å; L413-I435 HydrophobicContact CD2-CD1 4.2Å; P416-I435 HydrophobicContact CG-CB 4.45Å; P416-I435 HydrophobicContact CG-CG2 4.01Å; A428-I435 HydrophobicContact CB-CD1 4.12Å; L431-I435 HydrophobicContact CD2-CD1 3.98Å; L431-I435 HydrophobicContact CD2-CG1 3.64Å; I435-H437 VanDerWaalsContact C-N 3.32Å; I435-H437 PolarHBondContact O-N 2.99Å
436	K	68.9	Low	69.9	Low	87 Å²	87	34.2 Å²	34.2	38%	0.378	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-25.3	-174.2	-76.4	176	176.9	-178.2	0	115.5	F418 S434	F418-K436 HydrophobicContact CD1-CD 4.36Å; F418-K436 HydrophobicContact CD1-CG 4.03Å; F418-K436 HydrophobicContact CE1-CD 4.06Å; F418-K436 VanDerWaalsContact CE1-CE 3.43Å; F418-K436 HydrophobicContact CE1-CG 3.32Å; F418-K436 HydrophobicContact CE2-CG 3.93Å; F418-K436 HydrophobicContact CZ-CB 4.1Å; F418-K436 HydrophobicContact CZ-CD 4.39Å; F418-K436 HydrophobicContact CZ-CG 3.26Å; S434-K436 PolarHBondContact O-N 3.5Å; S434-K436 WeakPolarHBondContact OG-CB 3.35Å; S434-K436 PolarHBondContact OG-N 3.4Å
437	H	74.6	Confident	71.5	Confident	9 Å²	9	33.2 Å²	33.2	4%	0.042	18%	0.179	C	C	.	.	S	Bend	trans	-140.1	155.2	-175	-39.9	93	0	0	0	111	V114 S115 I435 H439 T440	V114-H437 HydrophobicContact CG1-CB 3.9Å; S115-H437 PolarHBondContact OG-CE1 3.31Å; S115-H437 PolarHBondContact OG-NE2 3.47Å; I435-H437 VanDerWaalsContact C-N 3.32Å; I435-H437 PolarHBondContact O-N 2.99Å; H437-H439 PolarHBondContact O-N 3.2Å; H437-T440 PolarHBondContact O-N 3.45Å; H437-T440 PolarHBondContact O-OG1 2.92Å
438	P	75.9	Confident	73.4	Confident	13 Å²	13	29.1 Å²	29.1	8%	0.084	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-65.6	-36.3	175.8	22.6	-30.8	0	0	0	113	W364 T440 L441	W364-P438 HydrophobicContact CD2-CB 4.13Å; W364-P438 HydrophobicContact CD2-CG 4.24Å; W364-P438 HydrophobicContact CE3-CB 3.93Å; W364-P438 HydrophobicContact CE3-CG 4.01Å; W364-P438 HydrophobicContact CH2-CB 3.84Å; W364-P438 HydrophobicContact CZ2-CB 4Å; W364-P438 HydrophobicContact CZ3-CB 3.79Å; W364-P438 HydrophobicContact CZ3-CG 4.3Å; P438-T440 PolarHBondContact O-N 3.26Å; P438-T440 VanDerWaalsContact O-N 3.07Å; P438-L441 PolarHBondContact O-N 3.27Å
439	H	75.8	Confident	75.2	Confident	14 Å²	14	28.9 Å²	28.9	7%	0.065	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-69.6	-6.7	-175.4	-40	147.7	0	0	0	114	Y110 N184 H437 W965 C969	Y110-H439 PolarHBondContact OH-O 3.34Å; N184-H439 VanDerWaalsContact CB-NE2 3.28Å; N184-H439 WeakPolarHBondContact CB-NE2 3.35Å; N184-H439 PolarHBondContact ND2-NE2 3Å; N184-H439 VanDerWaalsContact ND2-NE2 3.15Å; H437-H439 PolarHBondContact O-N 3.2Å; H439-W965 HydrophobicContact CB-CB 4.06Å; H439-W965 HydrophobicContact CB-CD2 4.38Å; H439-W965 HydrophobicContact CB-CE3 4.41Å; H439-W965 HydrophobicContact CB-CG 4.28Å; H439-W965 AromaticContact CD2-CD2 3.74Å; H439-W965 AromaticContact CD2-CE3 3.37Å; H439-W965 AromaticContact CD2-CH2 3.67Å; H439-W965 AromaticContact CD2-CZ3 3.34Å; H439-W965 WeakPolarHBondContact CD2-CZ3 3.38Å; H439-W965 AromaticContact CG-CE3 3.95Å; H439-W965 AromaticContact NE2-CH2 3.87Å; H439-W965 AromaticContact NE2-CZ3 3.55Å; H439-C969 PolarHBondContact O-SG 3.1Å
440	T	78.6	Confident	77.1	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.012	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-104.4	2.3	178.1	42.7	0	0	0	0	113.2	Y110 F433 S434 H437 P438	Y110-T440 HydrophobicContact CD1-CG2 3.76Å; Y110-T440 HydrophobicContact CE1-CG2 3.66Å; F433-T440 WeakPolarHBondContact CB-O 3.48Å; F433-T440 WeakPolarHBondContact CD1-O 3.28Å; F433-T440 WeakPolarHBondContact CG-O 3.39Å; S434-T440 WeakPolarHBondContact O-CB 3.42Å; S434-T440 PolarHBondContact O-OG1 3.39Å; H437-T440 PolarHBondContact O-N 3.45Å; H437-T440 PolarHBondContact O-OG1 2.92Å; P438-T440 PolarHBondContact O-N 3.26Å; P438-T440 VanDerWaalsContact O-N 3.07Å
441	L	80.4	Confident	78.8	Confident	11 Å²	11	21.9 Å²	21.9	6%	0.058	11%	0.106	C	C	.	.	S	Bend	trans	-95.1	142.8	-179.4	-62.6	-179.5	0	0	0	113	W364 P438 Y445 C969	W364-L441 HydrophobicContact CZ2-CD1 3.62Å; P438-L441 PolarHBondContact O-N 3.27Å; L441-Y445 HydrophobicContact CD1-CD1 4.04Å; L441-Y445 HydrophobicContact CD1-CE1 4.18Å; L441-Y445 HydrophobicContact CD2-CD1 3.83Å; L441-Y445 HydrophobicContact CD2-CE1 3.92Å; L441-Y445 HydrophobicContact CD2-CG 4.49Å; L441-Y445 HydrophobicContact CG-CD1 4.36Å; L441-C969 WeakPolarHBondContact O-CB 3.49Å; L441-C969 PolarHBondContact O-SG 2.87Å
442	S	82.6	Confident	80.3	Confident	6 Å²	6	20.9 Å²	20.9	4%	0.042	10%	0.101	C	C	.	.			trans	-63.9	148.2	162.8	-176.4	0	0	0	0	110.9	E444 Y445 Y446 D973	S442-E444 PolarHBondContact O-N 3.41Å; S442-E444 PolarHBondContact OG-N 2.89Å; S442-Y445 PolarHBondContact O-N 3.13Å; S442-Y446 WeakPolarHBondContact O-CB 3.27Å; S442-Y446 PolarHBondContact O-N 3.19Å; S442-D973 WeakPolarHBondContact CB-OD2 3.49Å; S442-D973 PolarHBondContact OG-OD2 3Å
443	W	84.9	Confident	81.7	Confident	58 Å²	58	20.3 Å²	20.3	22%	0.22	10%	0.098	C	C	.	.	H	α-helix	trans	-63.1	-31.3	172.4	-167.8	-102.4	0	0	0	112.1	V314 Y446 T447 H924	V314-W443 HydrophobicContact CG2-CH2 3.77Å; V314-W443 HydrophobicContact CG2-CZ2 4.22Å; W443-Y446 HydrophobicContact CE3-CD1 4.37Å; W443-Y446 HydrophobicContact CZ3-CD1 4.16Å; W443-Y446 PolarHBondContact O-N 3.4Å; W443-T447 WeakPolarHBondContact O-CG2 3.31Å; W443-T447 PolarHBondContact O-N 2.9Å; W443-T447 PolarHBondContact O-OG1 2.93Å; W443-H924 AromaticContact CD1-NE2 3.57Å; W443-H924 AromaticContact CG-CE1 3.85Å; W443-H924 AromaticContact CG-NE2 3.7Å
444	E	84.1	Confident	83	Confident	57 Å²	57	19.8 Å²	19.8	27%	0.266	10%	0.096	S	C	.	.	H	α-helix	trans	-63.7	-53.7	176.4	-59.8	-124.4	104.4	0	0	110.5	Y405 S442 Y446 T447 M448 K932	Y405-E444 HydrophobicContact CE2-CB 3.83Å; S442-E444 PolarHBondContact O-N 3.41Å; S442-E444 PolarHBondContact OG-N 2.89Å; E444-Y446 PolarHBondContact O-N 3.33Å; E444-T447 PolarHBondContact O-N 3.48Å; E444-T447 VanDerWaalsContact O-N 3.13Å; E444-T447 PolarHBondContact O-OG1 3.21Å; E444-M448 WeakPolarHBondContact O-CG 3.49Å; E444-M448 PolarHBondContact O-N 2.95Å; E444-K932 WeakPolarHBondContact OE1-CE 3.28Å; E444-K932 IonicContact OE1-NZ 2.72Å; E444-K932 PolarHBondContact OE1-NZ 3.34Å
445	Y	87.1	Confident	84.2	Confident	4 Å²	4	19.6 Å²	19.6	2%	0.016	9%	0.094	C	C	.	.	H	α-helix	trans	-52.9	-42.6	173.8	-173.9	-79.9	0	0	0	110.9	Y405 V412 L413 L431 L441 S442 M448 F449	Y405-Y445 HydrophobicContact CE1-CD2 4.47Å; V412-Y445 HydrophobicContact CB-CE2 4.29Å; V412-Y445 HydrophobicContact CG1-CE1 4.05Å; V412-Y445 HydrophobicContact CG1-CE2 4.12Å; V412-Y445 HydrophobicContact CG2-CD2 4.24Å; V412-Y445 HydrophobicContact CG2-CE2 4.16Å; L413-Y445 PolarHBondContact N-OH 2.74Å; L413-Y445 PolarHBondContact O-OH 2.68Å; L431-Y445 HydrophobicContact CD1-CD2 4.12Å; L431-Y445 HydrophobicContact CD1-CE2 4.48Å; L431-Y445 HydrophobicContact CD2-CD2 4.3Å; L431-Y445 HydrophobicContact CD2-CE2 3.98Å; L441-Y445 HydrophobicContact CD1-CD1 4.04Å; L441-Y445 HydrophobicContact CD1-CE1 4.18Å; L441-Y445 HydrophobicContact CD2-CD1 3.83Å; L441-Y445 HydrophobicContact CD2-CE1 3.92Å; L441-Y445 HydrophobicContact CD2-CG 4.49Å; L441-Y445 HydrophobicContact CG-CD1 4.36Å; S442-Y445 PolarHBondContact O-N 3.13Å; Y445-M448 PolarHBondContact O-N 2.95Å; Y445-F449 WeakPolarHBondContact O-CB 3.37Å; Y445-F449 PolarHBondContact O-N 2.9Å
446	Y	87.3	Confident	85.2	Confident	11 Å²	11	19.1 Å²	19.1	4%	0.043	9%	0.091	C	C	.	.	H	α-helix	trans	-66.3	-39.8	-180	-168.4	-109.1	0	0	0	113.6	Y182 W364 E367 K371 S442 W443 E444 F449 Q450	Y182-Y446 HydrophobicContact CE1-CD1 4.36Å; Y182-Y446 AromaticContact CE1-CE1 3.52Å; Y182-Y446 HydrophobicContact CE1-CE1 3.52Å; Y182-Y446 AromaticContact CE1-CZ 3.76Å; Y182-Y446 AromaticContact CZ-CE1 3.75Å; Y182-Y446 WeakPolarHBondContact OH-CE1 3.33Å; Y182-Y446 PolarHBondContact OH-OH 3.1Å; Y182-Y446 VanDerWaalsContact OH-OH 3.13Å; W364-Y446 HydrophobicContact CH2-CD2 4.49Å; W364-Y446 AromaticContact CH2-CE2 3.92Å; W364-Y446 HydrophobicContact CH2-CE2 3.92Å; W364-Y446 HydrophobicContact CZ2-CE2 4.48Å; E367-Y446 PolarHBondContact OE1-OH 3.16Å; E367-Y446 VanDerWaalsContact OE2-CE2 3.27Å; E367-Y446 WeakPolarHBondContact OE2-CE2 3.45Å; E367-Y446 PolarHBondContact OE2-OH 2.84Å; K371-Y446 WeakPolarHBondContact CE-OH 3.46Å; S442-Y446 WeakPolarHBondContact O-CB 3.27Å; S442-Y446 PolarHBondContact O-N 3.19Å; W443-Y446 HydrophobicContact CE3-CD1 4.37Å; W443-Y446 HydrophobicContact CZ3-CD1 4.16Å; W443-Y446 PolarHBondContact O-N 3.4Å; E444-Y446 PolarHBondContact O-N 3.33Å; Y446-F449 HydrophobicContact CD2-CD1 4.22Å; Y446-F449 AromaticContact CE2-CD1 3.88Å; Y446-F449 HydrophobicContact CE2-CD1 3.88Å; Y446-F449 HydrophobicContact CE2-CE1 4.16Å; Y446-F449 WeakPolarHBondContact O-CB 3.4Å; Y446-F449 PolarHBondContact O-N 3Å; Y446-Q450 HydrophobicContact CE1-CG 4.25Å; Y446-Q450 PolarHBondContact O-N 3.22Å; Y446-Q450 VanDerWaalsContact O-N 3.14Å; Y446-Q450 PolarHBondContact OH-NE2 2.94Å
447	T	88.1	Confident	86.3	Confident	44 Å²	44	15 Å²	15	27%	0.27	7%	0.073	S	C	.	.	H	α-helix	trans	-66.2	-37.7	173.2	59.5	0	0	0	0	112.1	W443 E444 Q450 C451	W443-T447 WeakPolarHBondContact O-CG2 3.31Å; W443-T447 PolarHBondContact O-N 2.9Å; W443-T447 PolarHBondContact O-OG1 2.93Å; E444-T447 PolarHBondContact O-N 3.48Å; E444-T447 VanDerWaalsContact O-N 3.13Å; E444-T447 PolarHBondContact O-OG1 3.21Å; T447-Q450 PolarHBondContact O-N 3.25Å; T447-C451 PolarHBondContact O-N 2.54Å; T447-C451 VanDerWaalsContact O-N 3.11Å
448	M	89.8	Confident	87.1	Confident	17 Å²	17	15.6 Å²	15.6	8%	0.084	8%	0.075	C	C	.	.	H	α-helix	trans	-71	-33.7	176.7	-62.3	-58.7	100.4	0	0	112.3	R401 I402 Y405 V412 E444 Y445 C451 K452	R401-M448 HydrophobicContact CB-CE 4.21Å; R401-M448 HydrophobicContact CB-SD 4.18Å; I402-M448 HydrophobicContact CG1-SD 4.28Å; Y405-M448 HydrophobicContact CD1-CB 4.29Å; Y405-M448 HydrophobicContact CD1-CG 3.85Å; Y405-M448 HydrophobicContact CD2-CG 4.02Å; Y405-M448 HydrophobicContact CE1-CG 4.41Å; Y405-M448 HydrophobicContact CG-CG 3.63Å; Y405-M448 HydrophobicContact CG-SD 4.39Å; V412-M448 HydrophobicContact CG2-CB 3.84Å; E444-M448 WeakPolarHBondContact O-CG 3.49Å; E444-M448 PolarHBondContact O-N 2.95Å; Y445-M448 PolarHBondContact O-N 2.95Å; M448-C451 PolarHBondContact O-N 2.98Å; M448-K452 WeakPolarHBondContact O-CB 3.3Å; M448-K452 PolarHBondContact O-N 2.86Å
449	F	89.9	Confident	87.7	Confident	7 Å²	7	15.2 Å²	15.2	3%	0.031	7%	0.073	C	C	.	.	H	α-helix	trans	-59.5	-43.1	170.7	171.7	-90	0	0	0	111.5	E367 W368 V412 L414 Y445 Y446 A453	E367-F449 HydrophobicContact CB-CE1 4.28Å; E367-F449 HydrophobicContact CB-CZ 4.22Å; W368-F449 HydrophobicContact CB-CE1 4.39Å; W368-F449 HydrophobicContact CB-CE2 3.98Å; W368-F449 HydrophobicContact CB-CZ 3.7Å; V412-F449 HydrophobicContact CG1-CB 4.03Å; L414-F449 HydrophobicContact CD2-CD2 3.5Å; L414-F449 HydrophobicContact CD2-CE2 3.89Å; L414-F449 HydrophobicContact CD2-CG 4.14Å; Y445-F449 WeakPolarHBondContact O-CB 3.37Å; Y445-F449 PolarHBondContact O-N 2.9Å; Y446-F449 HydrophobicContact CD2-CD1 4.22Å; Y446-F449 AromaticContact CE2-CD1 3.88Å; Y446-F449 HydrophobicContact CE2-CD1 3.88Å; Y446-F449 HydrophobicContact CE2-CE1 4.16Å; Y446-F449 WeakPolarHBondContact O-CB 3.4Å; Y446-F449 PolarHBondContact O-N 3Å; F449-A453 VanDerWaalsContact O-CB 3.22Å; F449-A453 WeakPolarHBondContact O-CB 3.42Å; F449-A453 PolarHBondContact O-N 2.66Å
450	Q	90.4	Very high	88.4	Confident	42 Å²	42	14.6 Å²	14.6	20%	0.196	7%	0.07	C	C	.	.	H	α-helix	trans	-64.3	-48.7	175	-68.4	-171	-7.9	0	0	112.5	K371 Y446 T447 K452 A453 H454	K371-Q450 HydrophobicContact CB-CG 4.22Å; K371-Q450 HydrophobicContact CG-CG 4.22Å; Y446-Q450 HydrophobicContact CE1-CG 4.25Å; Y446-Q450 PolarHBondContact O-N 3.22Å; Y446-Q450 VanDerWaalsContact O-N 3.14Å; Y446-Q450 PolarHBondContact OH-NE2 2.94Å; T447-Q450 PolarHBondContact O-N 3.25Å; Q450-K452 PolarHBondContact O-N 2.99Å; Q450-A453 PolarHBondContact O-N 2.71Å; Q450-H454 PolarHBondContact O-N 2.96Å
451	C	91.3	Very high	88.9	Confident	8 Å²	8	15.7 Å²	15.7	5%	0.054	8%	0.075	C	C	.	.	H	α-helix	trans	-61.8	-42.8	177.3	-66.7	0	0	0	0	111.6	E398 R401 I402 T447 M448 H454 L455	E398-C451 VanDerWaalsContact CD-SG 3.56Å; E398-C451 PolarHBondContact OE1-SG 3.13Å; R401-C451 PolarHBondContact NH1-SG 3.1Å; R401-C451 VanDerWaalsContact NH1-SG 3.4Å; I402-C451 HydrophobicContact CD1-CB 3.79Å; I402-C451 HydrophobicContact CG1-CB 4.06Å; T447-C451 PolarHBondContact O-N 2.54Å; T447-C451 VanDerWaalsContact O-N 3.11Å; M448-C451 PolarHBondContact O-N 2.98Å; C451-H454 PolarHBondContact O-N 3.41Å; C451-L455 WeakPolarHBondContact O-CG 3.15Å; C451-L455 PolarHBondContact O-N 2.75Å
452	K	91.4	Very high	89.3	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66.7	-39.5	179	-170.2	172.5	-171.9	165.2	0	111.8	I402 E406 V412 L414 M448 Q450 L455 V456 L637	I402-K452 HydrophobicContact CD1-CB 4.12Å; E406-K452 IonicContact OE1-NZ 3.59Å; E406-K452 PolarHBondContact OE1-NZ 2.9Å; E406-K452 IonicContact OE2-NZ 2.71Å; V412-K452 HydrophobicContact CB-CD 4.09Å; V412-K452 HydrophobicContact CG1-CD 4.38Å; V412-K452 WeakPolarHBondContact O-CD 3.18Å; V412-K452 WeakPolarHBondContact O-CE 3.24Å; V412-K452 PolarHBondContact O-NZ 2.85Å; L414-K452 HydrophobicContact CD1-CG 4.23Å; L414-K452 HydrophobicContact CD2-CB 4.25Å; L414-K452 HydrophobicContact CD2-CD 4.42Å; L414-K452 HydrophobicContact CD2-CG 4.33Å; L414-K452 HydrophobicContact CG-CD 4.37Å; L414-K452 HydrophobicContact CG-CG 4.39Å; M448-K452 WeakPolarHBondContact O-CB 3.3Å; M448-K452 PolarHBondContact O-N 2.86Å; Q450-K452 PolarHBondContact O-N 2.99Å; K452-L455 PolarHBondContact O-N 2.77Å; K452-V456 WeakPolarHBondContact O-CB 3.35Å; K452-V456 VanDerWaalsContact O-CG2 3.32Å; K452-V456 WeakPolarHBondContact O-CG2 3.44Å; K452-V456 PolarHBondContact O-N 2.88Å; K452-L637 HydrophobicContact CD-CD1 4.43Å; K452-L637 HydrophobicContact CG-CD1 4Å
453	A	92	Very high	89.4	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.5	-42.3	173.6	0	0	0	0	0	112.6	W368 F449 Q450 V456 M457	W368-A453 HydrophobicContact CB-CB 4.16Å; W368-A453 WeakPolarHBondContact O-CB 3.38Å; F449-A453 VanDerWaalsContact O-CB 3.22Å; F449-A453 WeakPolarHBondContact O-CB 3.42Å; F449-A453 PolarHBondContact O-N 2.66Å; Q450-A453 PolarHBondContact O-N 2.71Å; A453-V456 PolarHBondContact O-N 2.71Å; A453-M457 WeakPolarHBondContact O-CG 3.27Å; A453-M457 PolarHBondContact O-N 3.12Å
454	H	92.6	Very high	89.5	Confident	1 Å²	1	21 Å²	21	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-60.7	-49.6	173	161.8	-134.2	0	0	0	111.6	W394 E398 Q450 C451 V456 M457 R458	W394-H454 AromaticContact CH2-CE1 3.14Å; W394-H454 WeakPolarHBondContact CH2-CE1 3.46Å; W394-H454 AromaticContact CH2-ND1 3.48Å; W394-H454 WeakPolarHBondContact CH2-ND1 3.44Å; W394-H454 AromaticContact CH2-NE2 3.79Å; W394-H454 AromaticContact CZ2-CE1 3.77Å; W394-H454 AromaticContact CZ2-ND1 3.77Å; W394-H454 AromaticContact CZ3-CE1 3.44Å; W394-H454 VanDerWaalsContact CZ3-CE1 3.44Å; W394-H454 WeakPolarHBondContact CZ3-CE1 3.5Å; W394-H454 AromaticContact CZ3-NE2 3.92Å; E398-H454 IonicContact OE2-CE1 3.69Å; E398-H454 IonicContact OE2-CG 2.82Å; E398-H454 IonicContact OE2-ND1 2.82Å; E398-H454 PolarHBondContact OE2-ND1 3.37Å; Q450-H454 PolarHBondContact O-N 2.96Å; C451-H454 PolarHBondContact O-N 3.41Å; H454-V456 VanDerWaalsContact C-N 3.34Å; H454-V456 PolarHBondContact O-N 2.88Å; H454-M457 WeakPolarHBondContact O-CB 3.26Å; H454-M457 PolarHBondContact O-N 3.41Å; H454-R458 PolarHBondContact O-N 2.8Å; H454-R458 VanDerWaalsContact O-N 3.12Å
455	L	91.2	Very high	89.8	Confident	9 Å²	9	21.2 Å²	21.2	5%	0.047	11%	0.107	C	C	.	.	H	α-helix	trans	-65.5	-35.3	179.3	-63.1	-174	0	0	0	112.5	I395 E398 L399 I402 C451 K452 R458 L459 L637	I395-L455 HydrophobicContact CG2-CD2 3.99Å; E398-L455 HydrophobicContact CB-CD1 4.34Å; E398-L455 HydrophobicContact CB-CD2 4.31Å; E398-L455 HydrophobicContact CB-CG 4.45Å; L399-L455 HydrophobicContact CB-CD1 4.19Å; L399-L455 HydrophobicContact CD1-CD1 4.32Å; I402-L455 HydrophobicContact CD1-CD1 3.62Å; I402-L455 HydrophobicContact CD1-CG 4.37Å; C451-L455 WeakPolarHBondContact O-CG 3.15Å; C451-L455 PolarHBondContact O-N 2.75Å; K452-L455 PolarHBondContact O-N 2.77Å; L455-R458 CarbonylContact O-C 3.53Å; L455-R458 WeakPolarHBondContact O-CA 3.31Å; L455-R458 WeakPolarHBondContact O-CB 3.24Å; L455-R458 PolarHBondContact O-N 2.62Å; L455-R458 VanDerWaalsContact O-N 3.1Å; L455-L459 WeakPolarHBondContact O-CG 3.31Å; L455-L459 PolarHBondContact O-N 3.13Å; L455-L637 HydrophobicContact CB-CD2 3.59Å; L455-L637 HydrophobicContact CD1-CD2 3.62Å; L455-L637 HydrophobicContact CG-CD2 4.27Å
456	V	92.1	Very high	89.9	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-63.6	-39.9	173	167	0	0	0	0	112	W368 L414 K452 A453 H454 R458 L459 I460 W522 V523	W368-V456 HydrophobicContact CH2-CG1 4.38Å; W368-V456 HydrophobicContact CZ3-CG1 3.84Å; L414-V456 HydrophobicContact CD1-CB 4.34Å; L414-V456 HydrophobicContact CD1-CG2 3.89Å; K452-V456 WeakPolarHBondContact O-CB 3.35Å; K452-V456 VanDerWaalsContact O-CG2 3.32Å; K452-V456 WeakPolarHBondContact O-CG2 3.44Å; K452-V456 PolarHBondContact O-N 2.88Å; A453-V456 PolarHBondContact O-N 2.71Å; H454-V456 VanDerWaalsContact C-N 3.34Å; H454-V456 PolarHBondContact O-N 2.88Å; V456-R458 PolarHBondContact O-N 3.45Å; V456-L459 HydrophobicContact CG2-CD1 4.38Å; V456-L459 WeakPolarHBondContact O-CA 3.42Å; V456-L459 WeakPolarHBondContact O-CB 3.4Å; V456-L459 PolarHBondContact O-N 3.02Å; V456-I460 HydrophobicContact CG1-CD1 4.44Å; V456-I460 WeakPolarHBondContact O-CG1 3.49Å; V456-I460 PolarHBondContact O-N 3.24Å; V456-W522 HydrophobicContact CG2-CB 3.94Å; V456-V523 HydrophobicContact CG1-CG2 3.85Å
457	M	92.1	Very high	90	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.6	-34.8	171.7	-76	-64.2	-59.2	0	0	112.1	G372 I373 A453 H454 I460 E461 M469 F473 F503	G372-M457 VanDerWaalsContact C-CG 3.5Å; I373-M457 HydrophobicContact CG1-CE 3.72Å; I373-M457 HydrophobicContact CG1-SD 4.17Å; A453-M457 WeakPolarHBondContact O-CG 3.27Å; A453-M457 PolarHBondContact O-N 3.12Å; H454-M457 WeakPolarHBondContact O-CB 3.26Å; H454-M457 PolarHBondContact O-N 3.41Å; M457-I460 WeakPolarHBondContact O-CB 3.27Å; M457-I460 PolarHBondContact O-N 2.93Å; M457-I460 HydrophobicContact SD-CD1 4.09Å; M457-E461 PolarHBondContact O-N 3.14Å; M457-M469 HydrophobicContact CE-CE 4.3Å; M457-M469 HydrophobicContact CE-SD 3.67Å; M457-F473 HydrophobicContact CE-CE1 3.99Å; M457-F473 HydrophobicContact CE-CZ 3.79Å; M457-F503 HydrophobicContact CE-CZ 4.02Å; M457-F503 HydrophobicContact SD-CE1 3.96Å; M457-F503 HydrophobicContact SD-CZ 3.89Å
458	R	91.4	Very high	90.2	Very high	22 Å²	22	31.9 Å²	31.9	8%	0.083	15%	0.154	C	C	.	.	H	α-helix	trans	-69.9	-31.3	171.3	-168.2	175.1	177.5	-88.7	-14.4	113.4	H454 L455 V456 I460 E461 N462 D633 M634	H454-R458 PolarHBondContact O-N 2.8Å; H454-R458 VanDerWaalsContact O-N 3.12Å; L455-R458 CarbonylContact O-C 3.53Å; L455-R458 WeakPolarHBondContact O-CA 3.31Å; L455-R458 WeakPolarHBondContact O-CB 3.24Å; L455-R458 PolarHBondContact O-N 2.62Å; L455-R458 VanDerWaalsContact O-N 3.1Å; V456-R458 PolarHBondContact O-N 3.45Å; R458-I460 VanDerWaalsContact C-N 3.29Å; R458-I460 PolarHBondContact O-N 3.3Å; R458-E461 PolarHBondContact O-N 3.41Å; R458-N462 VanDerWaalsContact O-CG 3.31Å; R458-N462 PolarHBondContact O-N 3.34Å; R458-N462 PolarHBondContact O-ND2 3.27Å; R458-D633 VanDerWaalsContact CZ-O 3.26Å; R458-D633 PolarHBondContact NH1-O 3.37Å; R458-D633 PolarHBondContact NH2-O 3.48Å; R458-M634 PolarHBondContact NH1-O 2.81Å
459	L	88.8	Confident	90.2	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.031	15%	0.151	C	C	.	.	H	α-helix	trans	-63.5	-37.3	169.4	-57.3	-176.3	0	0	0	111.4	L455 V456 R463 L518 W522 S635	L455-L459 WeakPolarHBondContact O-CG 3.31Å; L455-L459 PolarHBondContact O-N 3.13Å; V456-L459 HydrophobicContact CG2-CD1 4.38Å; V456-L459 WeakPolarHBondContact O-CA 3.42Å; V456-L459 WeakPolarHBondContact O-CB 3.4Å; V456-L459 PolarHBondContact O-N 3.02Å; L459-R463 WeakPolarHBondContact O-CG 3.44Å; L459-R463 PolarHBondContact O-N 3.13Å; L459-L518 HydrophobicContact CB-CD1 4.26Å; L459-L518 HydrophobicContact CB-CD2 4.05Å; L459-L518 HydrophobicContact CD1-CD1 4.44Å; L459-W522 HydrophobicContact CD1-CB 4.2Å; L459-W522 HydrophobicContact CD1-CD2 3.87Å; L459-W522 HydrophobicContact CD1-CG 3.6Å; L459-S635 WeakPolarHBondContact CD2-O 3.48Å
460	I	90.5	Very high	90.3	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-68	-46.1	176	-64	167.7	0	0	0	110.5	V456 M457 R458 N462 R463 I464 I507 I515 L518	V456-I460 HydrophobicContact CG1-CD1 4.44Å; V456-I460 WeakPolarHBondContact O-CG1 3.49Å; V456-I460 PolarHBondContact O-N 3.24Å; M457-I460 WeakPolarHBondContact O-CB 3.27Å; M457-I460 PolarHBondContact O-N 2.93Å; M457-I460 HydrophobicContact SD-CD1 4.09Å; R458-I460 VanDerWaalsContact C-N 3.29Å; R458-I460 PolarHBondContact O-N 3.3Å; I460-N462 VanDerWaalsContact C-N 3.34Å; I460-N462 PolarHBondContact O-N 2.96Å; I460-R463 PolarHBondContact O-N 3.41Å; I460-R463 VanDerWaalsContact O-N 3.09Å; I460-I464 HydrophobicContact CG2-CD1 3.83Å; I460-I464 HydrophobicContact CG2-CG1 4.39Å; I460-I464 WeakPolarHBondContact O-CB 3.45Å; I460-I464 PolarHBondContact O-N 2.97Å; I460-I507 HydrophobicContact CG2-CD1 4.43Å; I460-I515 HydrophobicContact CD1-CD1 4.47Å; I460-I515 HydrophobicContact CG1-CD1 4.41Å; I460-I515 HydrophobicContact CG2-CD1 4.49Å; I460-L518 HydrophobicContact CG1-CD2 3.91Å
461	E	89.6	Confident	90.3	Very high	25 Å²	25	35.7 Å²	35.7	12%	0.117	17%	0.173	C	C	.	.	H	α-helix	trans	-50.3	-52.3	171.5	177.7	-172.8	-134	0	0	111.3	Y376 M457 R458 R463 I464 S465	Y376-E461 HydrophobicContact CE2-CB 4.21Å; Y376-E461 HydrophobicContact CE2-CG 4.34Å; Y376-E461 VanDerWaalsContact OH-CD 3.27Å; Y376-E461 PolarHBondContact OH-OE1 3.13Å; M457-E461 PolarHBondContact O-N 3.14Å; R458-E461 PolarHBondContact O-N 3.41Å; E461-R463 PolarHBondContact O-N 2.63Å; E461-R463 VanDerWaalsContact O-N 3.16Å; E461-I464 PolarHBondContact O-N 3.19Å; E461-S465 WeakPolarHBondContact O-CA 3.45Å; E461-S465 PolarHBondContact O-N 3.36Å
462	N	87.9	Confident	90.3	Very high	69 Å²	69	35.5 Å²	35.5	37%	0.369	17%	0.171	S	C	.	.	H	α-helix	trans	-61.1	-23.5	-179.1	-74.8	-39.2	0	0	0	114.2	R458 I460	R458-N462 VanDerWaalsContact O-CG 3.31Å; R458-N462 PolarHBondContact O-N 3.34Å; R458-N462 PolarHBondContact O-ND2 3.27Å; I460-N462 VanDerWaalsContact C-N 3.34Å; I460-N462 PolarHBondContact O-N 2.96Å
463	R	85.3	Confident	90.3	Very high	109 Å²	109	35.5 Å²	35.5	41%	0.411	17%	0.171	S	C	.	.	H	α-helix	trans	-91.8	-30.4	176.8	-70.1	-63.4	-171.7	-154.8	-2.7	113.2	L459 I460 E461 K513 L518	L459-R463 WeakPolarHBondContact O-CG 3.44Å; L459-R463 PolarHBondContact O-N 3.13Å; I460-R463 PolarHBondContact O-N 3.41Å; I460-R463 VanDerWaalsContact O-N 3.09Å; E461-R463 PolarHBondContact O-N 2.63Å; E461-R463 VanDerWaalsContact O-N 3.16Å; R463-K513 PolarHBondContact O-NZ 3.27Å; R463-L518 HydrophobicContact CG-CD2 4.33Å
464	I	87.4	Confident	90.3	Very high	7 Å²	7	38.1 Å²	38.1	4%	0.036	19%	0.185	C	C	.	.	H	α-helix	trans	-106.5	-32.7	-166.5	-66.2	-168.9	0	0	0	113.1	I460 E461 F468 I507 I515	I460-I464 HydrophobicContact CG2-CD1 3.83Å; I460-I464 HydrophobicContact CG2-CG1 4.39Å; I460-I464 WeakPolarHBondContact O-CB 3.45Å; I460-I464 PolarHBondContact O-N 2.97Å; E461-I464 PolarHBondContact O-N 3.19Å; I464-F468 HydrophobicContact CG2-CB 3.7Å; I464-F468 HydrophobicContact CG2-CD2 4.44Å; I464-F468 WeakPolarHBondContact O-CD2 3.35Å; I464-I507 HydrophobicContact CD1-CG2 3.15Å; I464-I515 HydrophobicContact CD1-CG2 4.09Å; I464-I515 HydrophobicContact CG1-CG2 4.46Å
465	S	90	Very high	90.2	Very high	62 Å²	62	41.9 Å²	41.9	43%	0.434	20%	0.201	S	C	.	.			trans	83.7	148.7	-160.3	-166	0	0	0	0	113.8	E461 E467	E461-S465 WeakPolarHBondContact O-CA 3.45Å; E461-S465 PolarHBondContact O-N 3.36Å; S465-E467 PolarHBondContact O-N 3.27Å
466	M	89.4	Confident	90.1	Very high	75 Å²	75	42.2 Å²	42.2	37%	0.369	20%	0.203	S	C	.	.	H	α-helix	trans	-61.2	-41.2	-176	-173.7	179.9	75	0	0	112.6	L380 M469 L470	L380-M466 HydrophobicContact CD2-SD 4.48Å; M466-M469 WeakPolarHBondContact O-CA 3.29Å; M466-M469 WeakPolarHBondContact O-CB 3.45Å; M466-M469 PolarHBondContact O-N 2.95Å; M466-L470 HydrophobicContact CG-CG 4.49Å; M466-L470 PolarHBondContact O-N 3.22Å
467	E	89.9	Confident	90	Very high	131 Å²	131	42.3 Å²	42.3	61%	0.612	20%	0.204	S	C	*	.	H	α-helix	trans	-60.2	-51.3	-174.3	-65	174	-177.3	0	0	113	S465 M469 L470 Q471	S465-E467 PolarHBondContact O-N 3.27Å; E467-M469 PolarHBondContact O-N 2.83Å; E467-L470 PolarHBondContact O-N 3.11Å; E467-Q471 WeakPolarHBondContact O-CG 3.35Å; E467-Q471 PolarHBondContact O-N 3.41Å
468	F	91.3	Very high	89.8	Confident	78 Å²	78	44.6 Å²	44.6	34%	0.342	22%	0.22	S	C	.	.	H	α-helix	trans	-63.5	-28.5	175.2	-65.6	-60.8	0	0	0	112.2	I464 Q471 V472 V510	I464-F468 HydrophobicContact CG2-CB 3.7Å; I464-F468 HydrophobicContact CG2-CD2 4.44Å; I464-F468 WeakPolarHBondContact O-CD2 3.35Å; F468-Q471 PolarHBondContact O-N 3.03Å; F468-V472 WeakPolarHBondContact O-CG2 3.45Å; F468-V472 PolarHBondContact O-N 2.91Å; F468-V510 HydrophobicContact CB-CG1 4.06Å; F468-V510 HydrophobicContact CD1-CG1 3.95Å; F468-V510 HydrophobicContact CG-CG1 4.45Å
469	M	90.8	Very high	89.7	Confident	5 Å²	5	47.2 Å²	47.2	3%	0.025	24%	0.235	C	C	.	.	H	α-helix	trans	-70.1	-41.6	177.7	-136.7	-71.8	-58.8	0	0	111	Y376 M457 M466 E467 V472 F473	Y376-M469 HydrophobicContact CD1-CE 3.54Å; Y376-M469 HydrophobicContact CE1-CE 3.15Å; Y376-M469 HydrophobicContact CG-CE 4.44Å; M457-M469 HydrophobicContact CE-CE 4.3Å; M457-M469 HydrophobicContact CE-SD 3.67Å; M466-M469 WeakPolarHBondContact O-CA 3.29Å; M466-M469 WeakPolarHBondContact O-CB 3.45Å; M466-M469 PolarHBondContact O-N 2.95Å; E467-M469 PolarHBondContact O-N 2.83Å; M469-V472 WeakPolarHBondContact O-CB 3.43Å; M469-V472 PolarHBondContact O-N 3.15Å; M469-F473 HydrophobicContact CE-CD2 4.17Å; M469-F473 HydrophobicContact CE-CE1 3.86Å; M469-F473 HydrophobicContact CE-CE2 3.41Å; M469-F473 VanDerWaalsContact CE-CE2 3.41Å; M469-F473 HydrophobicContact CE-CZ 3.23Å; M469-F473 PolarHBondContact O-N 3.12Å; M469-F473 VanDerWaalsContact O-N 3.1Å; M469-F473 HydrophobicContact SD-CD1 4.12Å; M469-F473 HydrophobicContact SD-CE1 3.4Å; M469-F473 WeakPolarHBondContact SD-CE1 3.45Å; M469-F473 HydrophobicContact SD-CE2 4.13Å; M469-F473 HydrophobicContact SD-CZ 3.42Å; M469-F473 WeakPolarHBondContact SD-CZ 3.42Å
470	L	90.6	Very high	89.7	Confident	39 Å²	39	47 Å²	47	20%	0.204	23%	0.234	C	C	.	.	H	α-helix	trans	-65.4	-38.3	170.6	-61	-174.8	0	0	0	112.3	I294 M466 E467 V472 F473 N474	I294-L470 HydrophobicContact CG2-CD2 3.7Å; M466-L470 HydrophobicContact CG-CG 4.49Å; M466-L470 PolarHBondContact O-N 3.22Å; E467-L470 PolarHBondContact O-N 3.11Å; L470-V472 VanDerWaalsContact C-N 3.3Å; L470-V472 PolarHBondContact O-N 2.84Å; L470-F473 HydrophobicContact CD2-CD2 4.4Å; L470-F473 PolarHBondContact O-N 2.91Å; L470-F473 VanDerWaalsContact O-N 3.11Å; L470-N474 PolarHBondContact O-N 3.34Å
471	Q	90.9	Very high	89.5	Confident	101 Å²	101	49.6 Å²	49.6	47%	0.472	25%	0.252	S	S	.	.	H	α-helix	trans	-60.8	-38.2	173	-69.1	172.4	17.9	0	0	112.2	E467 F468 K475 V510	E467-Q471 WeakPolarHBondContact O-CG 3.35Å; E467-Q471 PolarHBondContact O-N 3.41Å; F468-Q471 PolarHBondContact O-N 3.03Å; Q471-K475 VanDerWaalsContact O-CB 3.23Å; Q471-K475 WeakPolarHBondContact O-CB 3.45Å; Q471-K475 PolarHBondContact O-N 2.87Å; Q471-V510 HydrophobicContact CB-CG1 4.12Å
472	V	91.6	Very high	89.4	Confident	4 Å²	4	52 Å²	52	2%	0.024	27%	0.269	C	S	.	.	H	α-helix	trans	-63.6	-41.7	172.2	169.7	0	0	0	0	111	F468 M469 L470 K475 L476 F503 I507 V510	F468-V472 WeakPolarHBondContact O-CG2 3.45Å; F468-V472 PolarHBondContact O-N 2.91Å; M469-V472 WeakPolarHBondContact O-CB 3.43Å; M469-V472 PolarHBondContact O-N 3.15Å; L470-V472 VanDerWaalsContact C-N 3.3Å; L470-V472 PolarHBondContact O-N 2.84Å; V472-K475 PolarHBondContact O-N 3.35Å; V472-L476 HydrophobicContact CG1-CD1 4.02Å; V472-L476 VanDerWaalsContact O-CG 3.28Å; V472-L476 WeakPolarHBondContact O-CG 3.44Å; V472-L476 PolarHBondContact O-N 2.84Å; V472-F503 HydrophobicContact CG1-CD2 4.43Å; V472-F503 HydrophobicContact CG1-CE2 4.02Å; V472-I507 HydrophobicContact CG1-CG1 4.03Å; V472-I507 HydrophobicContact CG2-CG1 4.17Å; V472-V510 HydrophobicContact CG2-CB 3.86Å; V472-V510 HydrophobicContact CG2-CG1 4.16Å; V472-V510 HydrophobicContact CG2-CG2 3.88Å
473	F	91.7	Very high	89.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.5	-48.4	178.6	-71.5	-0.8	0	0	0	113	L295 F355 I373 Y376 I377 M457 M469 L470 K475 L476 L477	L295-F473 HydrophobicContact CD2-CB 4.2Å; L295-F473 HydrophobicContact CD2-CD2 4.07Å; F355-F473 HydrophobicContact CZ-CB 4.44Å; F355-F473 HydrophobicContact CZ-CG 4.38Å; I373-F473 HydrophobicContact CB-CE1 4.33Å; I373-F473 HydrophobicContact CB-CZ 4.02Å; I373-F473 HydrophobicContact CD1-CD1 4.47Å; I373-F473 HydrophobicContact CD1-CE1 3.81Å; I373-F473 HydrophobicContact CD1-CZ 4.37Å; I373-F473 HydrophobicContact CG1-CE1 3.63Å; I373-F473 HydrophobicContact CG1-CZ 3.72Å; I373-F473 HydrophobicContact CG2-CD1 4.48Å; I373-F473 HydrophobicContact CG2-CD2 4.44Å; I373-F473 HydrophobicContact CG2-CE1 3.83Å; I373-F473 HydrophobicContact CG2-CE2 3.78Å; I373-F473 HydrophobicContact CG2-CZ 3.43Å; I373-F473 VanDerWaalsContact CG2-CZ 3.43Å; Y376-F473 HydrophobicContact CD1-CE2 4.21Å; Y376-F473 HydrophobicContact CD1-CZ 4.44Å; I377-F473 HydrophobicContact CD1-CD2 4.11Å; I377-F473 HydrophobicContact CD1-CE2 3.84Å; I377-F473 HydrophobicContact CG1-CD2 4.38Å; I377-F473 HydrophobicContact CG1-CE2 3.84Å; M457-F473 HydrophobicContact CE-CE1 3.99Å; M457-F473 HydrophobicContact CE-CZ 3.79Å; M469-F473 HydrophobicContact CE-CD2 4.17Å; M469-F473 HydrophobicContact CE-CE1 3.86Å; M469-F473 HydrophobicContact CE-CE2 3.41Å; M469-F473 VanDerWaalsContact CE-CE2 3.41Å; M469-F473 HydrophobicContact CE-CZ 3.23Å; M469-F473 PolarHBondContact O-N 3.12Å; M469-F473 VanDerWaalsContact O-N 3.1Å; M469-F473 HydrophobicContact SD-CD1 4.12Å; M469-F473 HydrophobicContact SD-CE1 3.4Å; M469-F473 WeakPolarHBondContact SD-CE1 3.45Å; M469-F473 HydrophobicContact SD-CE2 4.13Å; M469-F473 HydrophobicContact SD-CZ 3.42Å; M469-F473 WeakPolarHBondContact SD-CZ 3.42Å; L470-F473 HydrophobicContact CD2-CD2 4.4Å; L470-F473 PolarHBondContact O-N 2.91Å; L470-F473 VanDerWaalsContact O-N 3.11Å; F473-K475 VanDerWaalsContact C-N 3.29Å; F473-K475 PolarHBondContact O-N 3.34Å; F473-L476 PolarHBondContact O-N 2.91Å; F473-L476 VanDerWaalsContact O-N 3.14Å; F473-L477 WeakPolarHBondContact O-CG 3.46Å; F473-L477 PolarHBondContact O-N 3Å
474	N	91.3	Very high	89.2	Confident	56 Å²	56	44.4 Å²	44.4	30%	0.299	24%	0.238	S	C	.	.	H	α-helix	trans	-57.9	-44.1	173.7	178.9	-17.6	0	0	0	110.3	T296 L470 L476 L477 S478	T296-N474 PolarHBondContact OG1-ND2 2.85Å; L470-N474 PolarHBondContact O-N 3.34Å; N474-L476 VanDerWaalsContact C-N 3.3Å; N474-L476 PolarHBondContact O-N 2.92Å; N474-L477 PolarHBondContact O-N 2.77Å; N474-S478 WeakPolarHBondContact O-CB 3.11Å; N474-S478 PolarHBondContact O-N 2.74Å; N474-S478 PolarHBondContact O-OG 3.4Å
475	K	90.3	Very high	88.7	Confident	79 Å²	79	48.1 Å²	48.1	34%	0.343	26%	0.264	S	S	.	.	H	α-helix	trans	-59.2	-36	176.3	-174	173.6	-178.9	177.4	0	113.5	Q471 V472 F473 S478 L479 V510	Q471-K475 VanDerWaalsContact O-CB 3.23Å; Q471-K475 WeakPolarHBondContact O-CB 3.45Å; Q471-K475 PolarHBondContact O-N 2.87Å; V472-K475 PolarHBondContact O-N 3.35Å; F473-K475 VanDerWaalsContact C-N 3.29Å; F473-K475 PolarHBondContact O-N 3.34Å; K475-S478 WeakPolarHBondContact CA-OG 3.4Å; K475-S478 PolarHBondContact O-OG 3.01Å; K475-L479 HydrophobicContact CG-CD1 4.44Å; K475-L479 WeakPolarHBondContact O-CB 3.42Å; K475-L479 WeakPolarHBondContact O-CD1 3.31Å; K475-L479 WeakPolarHBondContact O-CG 3.42Å; K475-L479 PolarHBondContact O-N 3.33Å; K475-V510 HydrophobicContact CD-CG2 4.24Å
476	L	89.9	Confident	88.1	Confident	17 Å²	17	48 Å²	48	9%	0.089	26%	0.257	C	S	.	.	H	α-helix	trans	-72	-44.3	175	-67.5	165.3	0	0	0	111.8	I359 V472 F473 N474 L479 A480 V498 F503	I359-L476 HydrophobicContact CD1-CB 4.01Å; V472-L476 HydrophobicContact CG1-CD1 4.02Å; V472-L476 VanDerWaalsContact O-CG 3.28Å; V472-L476 WeakPolarHBondContact O-CG 3.44Å; V472-L476 PolarHBondContact O-N 2.84Å; F473-L476 PolarHBondContact O-N 2.91Å; F473-L476 VanDerWaalsContact O-N 3.14Å; N474-L476 VanDerWaalsContact C-N 3.3Å; N474-L476 PolarHBondContact O-N 2.92Å; L476-L479 PolarHBondContact O-N 3.29Å; L476-A480 WeakPolarHBondContact O-CB 3.37Å; L476-A480 PolarHBondContact O-N 2.78Å; L476-V498 HydrophobicContact CD2-CG2 4.03Å; L476-F503 HydrophobicContact CD1-CD2 3.88Å; L476-F503 HydrophobicContact CD1-CE2 3.99Å
477	L	89.8	Confident	87.1	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-68.3	-39	-179.6	-71.3	167.4	0	0	0	112.8	L295 C297 F354 F355 F358 I359 F473 N474 A480 S481	L295-L477 HydrophobicContact CB-CD1 3.86Å; L295-L477 HydrophobicContact CD1-CD1 4.01Å; L295-L477 HydrophobicContact CD2-CD1 3.97Å; L295-L477 HydrophobicContact CG-CD1 4.15Å; C297-L477 HydrophobicContact CB-CD1 4.31Å; F354-L477 HydrophobicContact CD1-CD2 4.3Å; F355-L477 HydrophobicContact CE2-CD1 4.48Å; F355-L477 HydrophobicContact CZ-CD1 3.98Å; F355-L477 HydrophobicContact CZ-CD2 4.19Å; F355-L477 HydrophobicContact CZ-CG 4.09Å; F358-L477 HydrophobicContact CD1-CD2 3.99Å; F358-L477 HydrophobicContact CE1-CD2 4.22Å; I359-L477 HydrophobicContact CD1-CD2 3.67Å; I359-L477 HydrophobicContact CD1-CG 4.1Å; I359-L477 HydrophobicContact CG1-CD2 4.34Å; F473-L477 WeakPolarHBondContact O-CG 3.46Å; F473-L477 PolarHBondContact O-N 3Å; N474-L477 PolarHBondContact O-N 2.77Å; L477-A480 PolarHBondContact O-N 3.22Å; L477-S481 VanDerWaalsContact O-CB 3.3Å; L477-S481 WeakPolarHBondContact O-CB 3.48Å; L477-S481 PolarHBondContact O-N 3.48Å
478	S	88.4	Confident	85.8	Confident	48 Å²	48	52.9 Å²	52.9	34%	0.336	27%	0.274	S	S	.	.	H	α-helix	trans	-68.4	-37.9	176.1	51.5	0	0	0	0	112.5	N474 K475 T482	N474-S478 WeakPolarHBondContact O-CB 3.11Å; N474-S478 PolarHBondContact O-N 2.74Å; N474-S478 PolarHBondContact O-OG 3.4Å; K475-S478 WeakPolarHBondContact CA-OG 3.4Å; K475-S478 PolarHBondContact O-OG 3.01Å; S478-T482 WeakPolarHBondContact O-CB 3.29Å; S478-T482 PolarHBondContact O-N 2.81Å; S478-T482 PolarHBondContact O-OG1 3.3Å
479	L	88.4	Confident	84.6	Confident	78 Å²	78	54.1 Å²	54.1	41%	0.408	28%	0.281	S	S	.	.	H	α-helix	trans	-62.7	-46.6	169.3	-74.9	170.8	0	0	0	111.5	K475 L476 S481 T482 A483	K475-L479 HydrophobicContact CG-CD1 4.44Å; K475-L479 WeakPolarHBondContact O-CB 3.42Å; K475-L479 WeakPolarHBondContact O-CD1 3.31Å; K475-L479 WeakPolarHBondContact O-CG 3.42Å; K475-L479 PolarHBondContact O-N 3.33Å; L476-L479 PolarHBondContact O-N 3.29Å; L479-S481 PolarHBondContact O-N 2.86Å; L479-T482 PolarHBondContact O-N 3.29Å; L479-A483 WeakPolarHBondContact O-CB 3.39Å; L479-A483 PolarHBondContact O-N 3.02Å
480	A	88	Confident	83.2	Confident	1 Å²	1	55 Å²	55	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-61.8	-42.2	177.9	0	0	0	0	0	112.4	F358 I359 L476 L477 A483 S484 M496	F358-A480 HydrophobicContact CD1-CB 4.22Å; F358-A480 HydrophobicContact CE1-CB 3.62Å; F358-A480 HydrophobicContact CZ-CB 3.97Å; I359-A480 HydrophobicContact CG1-CB 4.03Å; L476-A480 WeakPolarHBondContact O-CB 3.37Å; L476-A480 PolarHBondContact O-N 2.78Å; L477-A480 PolarHBondContact O-N 3.22Å; A480-A483 PolarHBondContact O-N 3.42Å; A480-S484 WeakPolarHBondContact O-CB 3.2Å; A480-S484 PolarHBondContact O-N 3.42Å; A480-S484 PolarHBondContact O-OG 3.23Å; A480-M496 HydrophobicContact CB-CB 4.48Å; A480-M496 HydrophobicContact CB-CG 4.14Å
481	S	87.9	Confident	82.1	Confident	56 Å²	56	58.5 Å²	58.5	39%	0.392	30%	0.303	S	S	.	.	H	α-helix	trans	-66.8	-40.2	176.7	-176.6	0	0	0	0	113.2	L477 L479 A483 S484 S485	L477-S481 VanDerWaalsContact O-CB 3.3Å; L477-S481 WeakPolarHBondContact O-CB 3.48Å; L477-S481 PolarHBondContact O-N 3.48Å; L479-S481 PolarHBondContact O-N 2.86Å; S481-A483 PolarHBondContact O-N 3.44Å; S481-S484 WeakPolarHBondContact CA-OG 3.28Å; S481-S484 PolarHBondContact O-N 3.46Å; S481-S484 PolarHBondContact O-OG 3.39Å; S481-S485 WeakPolarHBondContact O-CB 3.41Å; S481-S485 PolarHBondContact O-N 3.4Å; S481-S485 VanDerWaalsContact O-N 3.14Å; S481-S485 PolarHBondContact O-OG 2.96Å
482	T	87.1	Confident	81.4	Confident	74 Å²	74	55.9 Å²	55.9	45%	0.454	29%	0.291	S	S	.	.	H	α-helix	trans	-64.8	-30	174.3	-55.4	0	0	0	0	111.9	S478 L479 S485 Q486	S478-T482 WeakPolarHBondContact O-CB 3.29Å; S478-T482 PolarHBondContact O-N 2.81Å; S478-T482 PolarHBondContact O-OG1 3.3Å; L479-T482 PolarHBondContact O-N 3.29Å; T482-S485 PolarHBondContact O-OG 2.84Å; T482-Q486 WeakPolarHBondContact O-CG 3.5Å; T482-Q486 PolarHBondContact O-NE2 2.96Å; T482-Q486 VanDerWaalsContact O-NE2 3.1Å
483	A	84.8	Confident	80.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-81.2	-43.8	175	0	0	0	0	0	112.9	L479 A480 S481 S485 Q486 M492 W493 Q495 M496	L479-A483 WeakPolarHBondContact O-CB 3.39Å; L479-A483 PolarHBondContact O-N 3.02Å; A480-A483 PolarHBondContact O-N 3.42Å; S481-A483 PolarHBondContact O-N 3.44Å; A483-S485 PolarHBondContact O-N 3.42Å; A483-Q486 PolarHBondContact O-N 3.5Å; A483-M492 WeakPolarHBondContact CB-O 3.31Å; A483-W493 VanDerWaalsContact O-CD1 3.3Å; A483-Q495 HydrophobicContact CB-CB 4.12Å; A483-M496 HydrophobicContact CB-CG 3.8Å; A483-M496 HydrophobicContact CB-SD 4.44Å
484	S	83.4	Confident	80.2	Confident	20 Å²	20	58.2 Å²	58.2	14%	0.14	31%	0.306	C	S	.	.	H	α-helix	trans	-69.3	-31.3	-175.4	67.9	0	0	0	0	113.4	A480 S481 Q486	A480-S484 WeakPolarHBondContact O-CB 3.2Å; A480-S484 PolarHBondContact O-N 3.42Å; A480-S484 PolarHBondContact O-OG 3.23Å; S481-S484 WeakPolarHBondContact CA-OG 3.28Å; S481-S484 PolarHBondContact O-N 3.46Å; S481-S484 PolarHBondContact O-OG 3.39Å; S484-Q486 VanDerWaalsContact C-N 3.26Å; S484-Q486 PolarHBondContact O-N 3.31Å
485	S	77.5	Confident	79.8	Confident	84 Å²	84	59.9 Å²	59.9	59%	0.587	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-15.9	178.2	51.5	0	0	0	0	113.9	S481 T482 A483	S481-S485 WeakPolarHBondContact O-CB 3.41Å; S481-S485 PolarHBondContact O-N 3.4Å; S481-S485 VanDerWaalsContact O-N 3.14Å; S481-S485 PolarHBondContact O-OG 2.96Å; T482-S485 PolarHBondContact O-OG 2.84Å; A483-S485 PolarHBondContact O-N 3.42Å
486	Q	78.1	Confident	79.6	Confident	60 Å²	60	56.2 Å²	56.2	28%	0.28	30%	0.296	S	S	.	.	S	Bend	trans	-88.6	117.7	-177.4	-67.1	-170.9	45.1	0	0	112.4	T482 A483 S484 F488 M492 W493	T482-Q486 WeakPolarHBondContact O-CG 3.5Å; T482-Q486 PolarHBondContact O-NE2 2.96Å; T482-Q486 VanDerWaalsContact O-NE2 3.1Å; A483-Q486 PolarHBondContact O-N 3.5Å; S484-Q486 VanDerWaalsContact C-N 3.26Å; S484-Q486 PolarHBondContact O-N 3.31Å; Q486-F488 PolarHBondContact O-N 2.85Å; Q486-M492 VanDerWaalsContact NE2-CE 3.31Å; Q486-M492 PolarHBondContact OE1-SD 3.01Å; Q486-M492 VanDerWaalsContact OE1-SD 3.35Å; Q486-W493 PolarHBondContact O-NE1 3.36Å
487	K	67.6	Low	79.4	Confident	170 Å²	170	56.5 Å²	56.5	74%	0.739	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	125.2	-178.4	-66.5	-174.6	176.5	-178.5	0	111.5	Q489	K487-Q489 PolarHBondContact O-N 2.94Å
488	F	62.5	Low	79.2	Confident	138 Å²	138	57.1 Å²	57.1	61%	0.605	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	25.8	167.1	-53.5	-69	0	0	0	117.8	Q486	Q486-F488 PolarHBondContact O-N 2.85Å
489	Q	65.3	Low	79.1	Confident	105 Å²	105	55.6 Å²	55.6	49%	0.491	29%	0.291	S	S	.	.			trans	-104.5	82.7	172.8	-65.2	-157	34.8	0	0	112.9	K487 H491 M492 W493	K487-Q489 PolarHBondContact O-N 2.94Å; Q489-H491 PolarHBondContact O-N 3.13Å; Q489-M492 HydrophobicContact CB-CB 4.38Å; Q489-M492 HydrophobicContact CB-CG 4.43Å; Q489-M492 PolarHBondContact O-N 2.87Å; Q489-W493 PolarHBondContact O-N 3.49Å
490	S	62.6	Low	79	Confident	22 Å²	22	52.6 Å²	52.6	15%	0.154	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	3.8	-175.8	-25.8	0	0	0	0	116	K27 T29	K27-S490 PolarHBondContact NZ-O 2.91Å; T29-S490 VanDerWaalsContact CG2-OG 3.24Å; T29-S490 WeakPolarHBondContact CG2-OG 3.4Å
491	H	67.7	Low	78.9	Confident	114 Å²	114	55.7 Å²	55.7	53%	0.528	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-10.4	167.6	-70.7	-95.1	0	0	0	113	E21 Q489 S494	E21-H491 IonicContact OE1-CE1 2.64Å; E21-H491 PolarHBondContact OE1-CE1 3.25Å; E21-H491 VanDerWaalsContact OE1-CE1 3.25Å; E21-H491 IonicContact OE1-ND1 3.29Å; E21-H491 PolarHBondContact OE1-ND1 2.58Å; Q489-H491 PolarHBondContact O-N 3.13Å; H491-S494 PolarHBondContact O-OG 3.12Å
492	M	76	Confident	78.8	Confident	46 Å²	46	54.6 Å²	54.6	23%	0.227	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-33.3	173.8	-66.8	-166.2	61.3	0	0	111.8	A483 Q486 Q489 S494 Q495	A483-M492 WeakPolarHBondContact CB-O 3.31Å; Q486-M492 VanDerWaalsContact NE2-CE 3.31Å; Q486-M492 PolarHBondContact OE1-SD 3.01Å; Q486-M492 VanDerWaalsContact OE1-SD 3.35Å; Q489-M492 HydrophobicContact CB-CB 4.38Å; Q489-M492 HydrophobicContact CB-CG 4.43Å; Q489-M492 PolarHBondContact O-N 2.87Å; M492-S494 PolarHBondContact O-N 2.88Å; M492-S494 VanDerWaalsContact O-N 3.12Å; M492-Q495 VanDerWaalsContact O-CB 3.28Å; M492-Q495 WeakPolarHBondContact O-CB 3.42Å; M492-Q495 WeakPolarHBondContact O-CG 3.22Å; M492-Q495 PolarHBondContact O-N 3.31Å
493	W	79.8	Confident	78.8	Confident	10 Å²	10	51.3 Å²	51.3	4%	0.038	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-56	-28.8	173.2	-60.6	-14.8	0	0	0	113.3	T29 L199 T201 P241 A483 Q486 Q489 Q495 M496	T29-W493 HydrophobicContact CG2-CZ3 4.45Å; L199-W493 HydrophobicContact CB-CB 4.45Å; L199-W493 HydrophobicContact CD1-CB 4.14Å; L199-W493 WeakPolarHBondContact CD1-O 3.34Å; T201-W493 HydrophobicContact CG2-CH2 4.11Å; T201-W493 HydrophobicContact CG2-CZ2 4.46Å; P241-W493 HydrophobicContact CB-CD2 3.95Å; P241-W493 HydrophobicContact CB-CE3 4.05Å; P241-W493 HydrophobicContact CB-CG 4.38Å; P241-W493 HydrophobicContact CB-CH2 4.49Å; P241-W493 HydrophobicContact CB-CZ2 4.41Å; P241-W493 HydrophobicContact CB-CZ3 4.32Å; P241-W493 HydrophobicContact CG-CD2 4.05Å; P241-W493 HydrophobicContact CG-CG 4.11Å; P241-W493 HydrophobicContact CG-CZ2 4.5Å; A483-W493 VanDerWaalsContact O-CD1 3.3Å; Q486-W493 PolarHBondContact O-NE1 3.36Å; Q489-W493 PolarHBondContact O-N 3.49Å; W493-Q495 PolarHBondContact O-N 2.94Å; W493-M496 VanDerWaalsContact O-CB 3.32Å; W493-M496 WeakPolarHBondContact O-CB 3.4Å; W493-M496 PolarHBondContact O-N 2.9Å
494	S	78.5	Confident	79	Confident	42 Å²	42	53 Å²	53	29%	0.294	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-62.5	-8.2	172.7	42.2	0	0	0	0	114.9	H491 M492 M496 L497	H491-S494 PolarHBondContact O-OG 3.12Å; M492-S494 PolarHBondContact O-N 2.88Å; M492-S494 VanDerWaalsContact O-N 3.12Å; S494-M496 VanDerWaalsContact C-N 3.32Å; S494-L497 PolarHBondContact O-N 2.98Å
495	Q	82.9	Confident	79.2	Confident	92 Å²	92	58.5 Å²	58.5	43%	0.43	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-77.8	-15.1	168.9	-60	178.5	6.6	0	0	113	A483 M492 W493 L497	A483-Q495 HydrophobicContact CB-CB 4.12Å; M492-Q495 VanDerWaalsContact O-CB 3.28Å; M492-Q495 WeakPolarHBondContact O-CB 3.42Å; M492-Q495 WeakPolarHBondContact O-CG 3.22Å; M492-Q495 PolarHBondContact O-N 3.31Å; W493-Q495 PolarHBondContact O-N 2.94Å; Q495-L497 VanDerWaalsContact C-N 3.28Å
496	M	85	Confident	79.8	Confident	1 Å²	1	55 Å²	55	1%	0.005	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-79.5	-12	169	-56.4	171.9	64.5	0	0	112.5	L199 P241 F358 S360 A480 A483 W493 S494	L199-M496 HydrophobicContact CD1-CB 3.92Å; L199-M496 HydrophobicContact CD1-SD 4.32Å; P241-M496 HydrophobicContact CG-CE 4.4Å; P241-M496 HydrophobicContact CG-SD 3.86Å; P241-M496 VanDerWaalsContact O-CE 3.32Å; P241-M496 WeakPolarHBondContact O-CE 3.12Å; F358-M496 HydrophobicContact CD2-CE 4.07Å; F358-M496 HydrophobicContact CE2-CE 4.01Å; F358-M496 WeakPolarHBondContact O-CE 3.36Å; S360-M496 PolarHBondContact N-O 2.82Å; S360-M496 VanDerWaalsContact N-O 3.13Å; A480-M496 HydrophobicContact CB-CB 4.48Å; A480-M496 HydrophobicContact CB-CG 4.14Å; A483-M496 HydrophobicContact CB-CG 3.8Å; A483-M496 HydrophobicContact CB-SD 4.44Å; W493-M496 VanDerWaalsContact O-CB 3.32Å; W493-M496 WeakPolarHBondContact O-CB 3.4Å; W493-M496 PolarHBondContact O-N 2.9Å; S494-M496 VanDerWaalsContact C-N 3.32Å
497	L	85.7	Confident	80.3	Confident	23 Å²	23	52.4 Å²	52.4	12%	0.12	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	121.4	174.6	-55.9	179.9	0	0	0	109.5	L199 S360 M362 S494 Q495	L199-L497 HydrophobicContact CD1-CD2 3.84Å; L199-L497 HydrophobicContact CD1-CG 4.09Å; L199-L497 HydrophobicContact CD2-CD2 4.12Å; L199-L497 HydrophobicContact CG-CD2 4.01Å; S360-L497 WeakPolarHBondContact O-CA 3.35Å; M362-L497 HydrophobicContact CE-CB 3.92Å; M362-L497 HydrophobicContact CG-CB 3.66Å; M362-L497 HydrophobicContact CG-CD1 4.43Å; S494-L497 PolarHBondContact O-N 2.98Å; Q495-L497 VanDerWaalsContact C-N 3.28Å
498	V	86.3	Confident	81.4	Confident	15 Å²	15	46 Å²	46	9%	0.091	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.8	173.5	173.7	0	0	0	0	109.4	I359 S360 R361 M362 V369 L476 F503	I359-V498 HydrophobicContact CG2-CB 4.08Å; I359-V498 HydrophobicContact CG2-CG2 3.51Å; S360-V498 PolarHBondContact O-N 3.08Å; R361-V498 WeakPolarHBondContact CA-O 3.49Å; M362-V498 PolarHBondContact N-O 3.07Å; M362-V498 VanDerWaalsContact N-O 3.11Å; V369-V498 HydrophobicContact CG1-CG1 4.26Å; L476-V498 HydrophobicContact CD2-CG2 4.03Å; V498-F503 HydrophobicContact CG1-CB 3.96Å
499	S	87.2	Confident	82.6	Confident	17 Å²	17	45.4 Å²	45.4	12%	0.119	25%	0.248	C	C	.	.			trans	-114.2	160.2	162.5	59.7	0	0	0	0	110.2	D366 S501 G502 F503	D366-S499 WeakPolarHBondContact OD1-CA 3.26Å; S499-S501 PolarHBondContact O-N 3.2Å; S499-S501 PolarHBondContact OG-OG 3.31Å; S499-G502 PolarHBondContact O-N 3.49Å; S499-G502 PolarHBondContact OG-N 3.1Å; S499-F503 WeakPolarHBondContact O-CB 3.39Å; S499-F503 PolarHBondContact O-N 3.21Å
500	T	85.8	Confident	83.8	Confident	15 Å²	15	42 Å²	42	9%	0.092	24%	0.235	C	C	.	.	H	α-helix	trans	-49.2	-42.9	174.7	-58.9	0	0	0	0	111.2	D366 W368 L504	D366-T500 WeakPolarHBondContact OD1-CB 3.43Å; D366-T500 PolarHBondContact OD1-N 2.88Å; D366-T500 PolarHBondContact OD1-OG1 3.11Å; W368-T500 HydrophobicContact CZ2-CG2 3.87Å; W368-T500 PolarHBondContact NE1-OG1 2.92Å; T500-L504 WeakPolarHBondContact O-CB 3.49Å; T500-L504 PolarHBondContact O-N 2.94Å
501	S	85.1	Confident	84.9	Confident	65 Å²	65	42 Å²	42	46%	0.455	23%	0.234	S	C	.	.	H	α-helix	trans	-70.5	-35.1	178.2	77.9	0	0	0	0	113.8	S499 K505	S499-S501 PolarHBondContact O-N 3.2Å; S499-S501 PolarHBondContact OG-OG 3.31Å; S501-K505 WeakPolarHBondContact O-CB 3.49Å; S501-K505 VanDerWaalsContact O-CG 3.24Å; S501-K505 WeakPolarHBondContact O-CG 3.15Å; S501-K505 PolarHBondContact O-N 3.31Å
502	G	85.9	Confident	85.6	Confident	34 Å²	34	40 Å²	40	35%	0.351	25%	0.245	S	C	.	.	H	α-helix	trans	-70.6	-42	175.4	0	0	0	0	0	112	S499 K505 S506	S499-G502 PolarHBondContact O-N 3.49Å; S499-G502 PolarHBondContact OG-N 3.1Å; G502-K505 PolarHBondContact O-N 3.03Å; G502-S506 PolarHBondContact O-N 3.13Å
503	F	88.1	Confident	86	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.018	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-50.9	174.6	-177.1	-124.7	0	0	0	111.6	V369 I373 M457 V472 L476 V498 S499 K505 S506 I507	V369-F503 HydrophobicContact CG1-CB 4.26Å; V369-F503 HydrophobicContact CG1-CD1 3.68Å; V369-F503 HydrophobicContact CG1-CD2 4.06Å; V369-F503 HydrophobicContact CG1-CE1 3.92Å; V369-F503 HydrophobicContact CG1-CE2 4.3Å; V369-F503 HydrophobicContact CG1-CG 3.75Å; V369-F503 HydrophobicContact CG1-CZ 4.23Å; V369-F503 HydrophobicContact CG2-CD1 4.01Å; I373-F503 HydrophobicContact CD1-CE2 3.83Å; I373-F503 HydrophobicContact CD1-CZ 3.99Å; I373-F503 HydrophobicContact CG1-CZ 4.32Å; M457-F503 HydrophobicContact CE-CZ 4.02Å; M457-F503 HydrophobicContact SD-CE1 3.96Å; M457-F503 HydrophobicContact SD-CZ 3.89Å; V472-F503 HydrophobicContact CG1-CD2 4.43Å; V472-F503 HydrophobicContact CG1-CE2 4.02Å; L476-F503 HydrophobicContact CD1-CD2 3.88Å; L476-F503 HydrophobicContact CD1-CE2 3.99Å; V498-F503 HydrophobicContact CG1-CB 3.96Å; S499-F503 WeakPolarHBondContact O-CB 3.39Å; S499-F503 PolarHBondContact O-N 3.21Å; F503-K505 PolarHBondContact O-N 2.86Å; F503-S506 WeakPolarHBondContact O-CA 3.3Å; F503-S506 WeakPolarHBondContact O-CB 3.25Å; F503-S506 PolarHBondContact O-N 2.94Å; F503-I507 HydrophobicContact CD1-CD1 3.86Å; F503-I507 HydrophobicContact CD2-CD1 4.29Å; F503-I507 HydrophobicContact CE1-CD1 3.56Å; F503-I507 HydrophobicContact CE2-CD1 4.01Å; F503-I507 HydrophobicContact CE2-CG1 4.38Å; F503-I507 HydrophobicContact CG-CD1 4.22Å; F503-I507 HydrophobicContact CZ-CD1 3.64Å; F503-I507 HydrophobicContact CZ-CG1 4.45Å; F503-I507 WeakPolarHBondContact O-CG1 3.46Å; F503-I507 PolarHBondContact O-N 3.22Å
504	L	87.9	Confident	85.9	Confident	35 Å²	35	46.4 Å²	46.4	18%	0.183	28%	0.276	C	S	.	.	H	α-helix	trans	-55.4	-47.2	175.1	175.1	58.6	0	0	0	112.4	T500 S506 I507 S508 I515 Q516	T500-L504 WeakPolarHBondContact O-CB 3.49Å; T500-L504 PolarHBondContact O-N 2.94Å; L504-S506 VanDerWaalsContact C-N 3.34Å; L504-S506 PolarHBondContact O-N 2.83Å; L504-I507 PolarHBondContact O-N 2.94Å; L504-S508 PolarHBondContact O-N 2.87Å; L504-I515 HydrophobicContact CD1-CD1 3.87Å; L504-I515 HydrophobicContact CD1-CG1 3.37Å; L504-Q516 HydrophobicContact CD2-CG 3.94Å
505	K	88.4	Confident	86.1	Confident	136 Å²	136	44.8 Å²	44.8	59%	0.591	26%	0.264	S	S	*	.	H	α-helix	trans	-60	-42	174	-76.6	171.5	179.7	179.4	0	111.9	S501 G502 F503 I507 N509	S501-K505 WeakPolarHBondContact O-CB 3.49Å; S501-K505 VanDerWaalsContact O-CG 3.24Å; S501-K505 WeakPolarHBondContact O-CG 3.15Å; S501-K505 PolarHBondContact O-N 3.31Å; G502-K505 PolarHBondContact O-N 3.03Å; F503-K505 PolarHBondContact O-N 2.86Å; K505-I507 VanDerWaalsContact C-N 3.33Å; K505-I507 PolarHBondContact O-N 3.49Å; K505-N509 VanDerWaalsContact O-CB 3.24Å; K505-N509 WeakPolarHBondContact O-CB 3.45Å; K505-N509 PolarHBondContact O-N 2.92Å; K505-N509 PolarHBondContact O-ND2 3.15Å
506	S	89.1	Confident	86.2	Confident	12 Å²	12	46 Å²	46	8%	0.084	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-44.5	177.2	-162.1	0	0	0	0	111.2	G502 F503 L504 N509 V510	G502-S506 PolarHBondContact O-N 3.13Å; F503-S506 WeakPolarHBondContact O-CA 3.3Å; F503-S506 WeakPolarHBondContact O-CB 3.25Å; F503-S506 PolarHBondContact O-N 2.94Å; L504-S506 VanDerWaalsContact C-N 3.34Å; L504-S506 PolarHBondContact O-N 2.83Å; S506-N509 PolarHBondContact O-N 3.09Å; S506-V510 WeakPolarHBondContact O-CG2 3.4Å; S506-V510 PolarHBondContact O-N 2.89Å
507	I	89.8	Confident	86.2	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-62.1	-54	177.8	-68.4	167.3	0	0	0	111.7	I460 I464 V472 F503 L504 K505 N509 V510 S511 I515	I460-I507 HydrophobicContact CG2-CD1 4.43Å; I464-I507 HydrophobicContact CD1-CG2 3.15Å; V472-I507 HydrophobicContact CG1-CG1 4.03Å; V472-I507 HydrophobicContact CG2-CG1 4.17Å; F503-I507 HydrophobicContact CD1-CD1 3.86Å; F503-I507 HydrophobicContact CD2-CD1 4.29Å; F503-I507 HydrophobicContact CE1-CD1 3.56Å; F503-I507 HydrophobicContact CE2-CD1 4.01Å; F503-I507 HydrophobicContact CE2-CG1 4.38Å; F503-I507 HydrophobicContact CG-CD1 4.22Å; F503-I507 HydrophobicContact CZ-CD1 3.64Å; F503-I507 HydrophobicContact CZ-CG1 4.45Å; F503-I507 WeakPolarHBondContact O-CG1 3.46Å; F503-I507 PolarHBondContact O-N 3.22Å; L504-I507 PolarHBondContact O-N 2.94Å; K505-I507 VanDerWaalsContact C-N 3.33Å; K505-I507 PolarHBondContact O-N 3.49Å; I507-N509 VanDerWaalsContact C-N 3.25Å; I507-N509 PolarHBondContact O-N 2.85Å; I507-V510 PolarHBondContact O-N 3.4Å; I507-S511 PolarHBondContact O-N 3.09Å; I507-I515 HydrophobicContact CB-CD1 4.42Å; I507-I515 HydrophobicContact CD1-CD1 4Å; I507-I515 HydrophobicContact CG2-CD1 3.83Å
508	S	89.1	Confident	86.2	Confident	35 Å²	35	49.8 Å²	49.8	25%	0.245	30%	0.295	C	S	.	.	H	α-helix	trans	-63.9	-31.6	-178.5	-68.8	0	0	0	0	112.6	L504 V510 G512 K513	L504-S508 PolarHBondContact O-N 2.87Å; S508-V510 VanDerWaalsContact C-N 3.3Å; S508-V510 PolarHBondContact O-N 2.86Å; S508-G512 WeakPolarHBondContact O-CA 3.44Å; S508-G512 PolarHBondContact O-N 3.07Å; S508-K513 PolarHBondContact OG-O 3.12Å
509	N	89.3	Confident	86.2	Confident	126 Å²	126	49.7 Å²	49.7	67%	0.674	29%	0.294	S	S	*	.	H	α-helix	trans	-69.5	-20.4	173.4	-75.1	-30.7	0	0	0	114.4	K505 S506 I507	K505-N509 VanDerWaalsContact O-CB 3.24Å; K505-N509 WeakPolarHBondContact O-CB 3.45Å; K505-N509 PolarHBondContact O-N 2.92Å; K505-N509 PolarHBondContact O-ND2 3.15Å; S506-N509 PolarHBondContact O-N 3.09Å; I507-N509 VanDerWaalsContact C-N 3.25Å; I507-N509 PolarHBondContact O-N 2.85Å
510	V	89.1	Confident	86.1	Confident	34 Å²	34	55.1 Å²	55.1	21%	0.206	32%	0.315	C	S	.	.	H	α-helix	trans	-98.3	-45.7	177.6	173	0	0	0	0	111	F468 Q471 V472 K475 S506 I507 S508	F468-V510 HydrophobicContact CB-CG1 4.06Å; F468-V510 HydrophobicContact CD1-CG1 3.95Å; F468-V510 HydrophobicContact CG-CG1 4.45Å; Q471-V510 HydrophobicContact CB-CG1 4.12Å; V472-V510 HydrophobicContact CG2-CB 3.86Å; V472-V510 HydrophobicContact CG2-CG1 4.16Å; V472-V510 HydrophobicContact CG2-CG2 3.88Å; K475-V510 HydrophobicContact CD-CG2 4.24Å; S506-V510 WeakPolarHBondContact O-CG2 3.4Å; S506-V510 PolarHBondContact O-N 2.89Å; I507-V510 PolarHBondContact O-N 3.4Å; S508-V510 VanDerWaalsContact C-N 3.3Å; S508-V510 PolarHBondContact O-N 2.86Å
511	S	87.1	Confident	86	Confident	21 Å²	21	55.7 Å²	55.7	15%	0.147	32%	0.317	C	S	.	.	H	α-helix	trans	-86.6	-18.2	-175.2	-178.8	0	0	0	0	114.6	I507 K513	I507-S511 PolarHBondContact O-N 3.09Å; S511-K513 PolarHBondContact O-N 2.96Å; S511-K513 WeakPolarHBondContact OG-CD 3.36Å
512	G	81.6	Confident	86.1	Confident	73 Å²	73	52.7 Å²	52.7	75%	0.753	30%	0.296	S	S	*	.			trans	65.1	2.6	-171.8	0	0	0	0	0	115.3	S508	S508-G512 WeakPolarHBondContact O-CA 3.44Å; S508-G512 PolarHBondContact O-N 3.07Å
513	K	83.8	Confident	86	Confident	98 Å²	98	51.1 Å²	51.1	43%	0.426	28%	0.279	S	S	.	.			trans	-98	142.8	179.8	-66.8	172.6	-174.4	161.1	0	110.3	R463 S508 S511	R463-K513 PolarHBondContact O-NZ 3.27Å; S508-K513 PolarHBondContact OG-O 3.12Å; S511-K513 PolarHBondContact O-N 2.96Å; S511-K513 WeakPolarHBondContact OG-CD 3.36Å
514	D	77.6	Confident	85.7	Confident	92 Å²	92	52.9 Å²	52.9	49%	0.492	29%	0.289	S	S	.	.			trans	-81.8	132.4	163.5	-173.9	23.7	0	0	0	109.9	Q516	D514-Q516 WeakPolarHBondContact OD1-CB 3.32Å; D514-Q516 VanDerWaalsContact OD1-CG 3.3Å; D514-Q516 WeakPolarHBondContact OD1-CG 3.47Å; D514-Q516 PolarHBondContact OD1-N 3.07Å; D514-Q516 PolarHBondContact OD1-NE2 3.37Å
515	I	84.7	Confident	85.2	Confident	7 Å²	7	55.9 Å²	55.9	4%	0.036	30%	0.302	C	S	.	.			trans	-120.7	6.1	174.3	63.7	166.3	0	0	0	112.4	I460 I464 L504 I507 P517 L518 I519	I460-I515 HydrophobicContact CD1-CD1 4.47Å; I460-I515 HydrophobicContact CG1-CD1 4.41Å; I460-I515 HydrophobicContact CG2-CD1 4.49Å; I464-I515 HydrophobicContact CD1-CG2 4.09Å; I464-I515 HydrophobicContact CG1-CG2 4.46Å; L504-I515 HydrophobicContact CD1-CD1 3.87Å; L504-I515 HydrophobicContact CD1-CG1 3.37Å; I507-I515 HydrophobicContact CB-CD1 4.42Å; I507-I515 HydrophobicContact CD1-CD1 4Å; I507-I515 HydrophobicContact CG2-CD1 3.83Å; I515-P517 VanDerWaalsContact C-CD 3.41Å; I515-P517 VanDerWaalsContact C-N 3.28Å; I515-L518 HydrophobicContact CB-CB 4.5Å; I515-L518 WeakPolarHBondContact O-CA 3.37Å; I515-L518 WeakPolarHBondContact O-CB 3.43Å; I515-L518 PolarHBondContact O-N 2.86Å; I515-I519 PolarHBondContact O-N 2.79Å
516	Q	83.8	Confident	84.6	Confident	117 Å²	117	51 Å²	51	55%	0.547	28%	0.284	S	S	.	.	H	α-helix	trans	-51.3	-39.3	173.7	-74.6	167.1	80.8	0	0	113.6	L504 D514 L518 I519 K520	L504-Q516 HydrophobicContact CD2-CG 3.94Å; D514-Q516 WeakPolarHBondContact OD1-CB 3.32Å; D514-Q516 VanDerWaalsContact OD1-CG 3.3Å; D514-Q516 WeakPolarHBondContact OD1-CG 3.47Å; D514-Q516 PolarHBondContact OD1-N 3.07Å; D514-Q516 PolarHBondContact OD1-NE2 3.37Å; Q516-L518 VanDerWaalsContact C-N 3.29Å; Q516-L518 PolarHBondContact O-N 2.87Å; Q516-I519 PolarHBondContact O-N 3.34Å; Q516-K520 WeakPolarHBondContact O-CB 3.4Å; Q516-K520 PolarHBondContact O-N 2.91Å
517	P	85.9	Confident	84.2	Confident	88 Å²	88	50.4 Å²	50.4	57%	0.571	28%	0.28	S	S	*	.	H	α-helix	trans	-61.6	-34.2	174.3	-24.7	35.6	0	0	0	113.6	I515 Q521	I515-P517 VanDerWaalsContact C-CD 3.41Å; I515-P517 VanDerWaalsContact C-N 3.28Å; P517-Q521 WeakPolarHBondContact O-CB 3.49Å; P517-Q521 PolarHBondContact O-N 2.53Å; P517-Q521 VanDerWaalsContact O-N 3.13Å
518	L	85.5	Confident	84	Confident	17 Å²	17	50.1 Å²	50.1	9%	0.089	28%	0.279	C	S	.	.	H	α-helix	trans	-72.8	-43.5	178	-171	76.9	0	0	0	111.2	L459 I460 R463 I515 Q516 K520 Q521 W522	L459-L518 HydrophobicContact CB-CD1 4.26Å; L459-L518 HydrophobicContact CB-CD2 4.05Å; L459-L518 HydrophobicContact CD1-CD1 4.44Å; I460-L518 HydrophobicContact CG1-CD2 3.91Å; R463-L518 HydrophobicContact CG-CD2 4.33Å; I515-L518 HydrophobicContact CB-CB 4.5Å; I515-L518 WeakPolarHBondContact O-CA 3.37Å; I515-L518 WeakPolarHBondContact O-CB 3.43Å; I515-L518 PolarHBondContact O-N 2.86Å; Q516-L518 VanDerWaalsContact C-N 3.29Å; Q516-L518 PolarHBondContact O-N 2.87Å; L518-K520 VanDerWaalsContact C-N 3.34Å; L518-Q521 PolarHBondContact O-N 3.19Å; L518-W522 VanDerWaalsContact O-CD1 3.31Å; L518-W522 PolarHBondContact O-N 2.99Å; L518-W522 VanDerWaalsContact O-N 3.1Å
519	I	86.4	Confident	84	Confident	13 Å²	13	48.5 Å²	48.5	7%	0.067	27%	0.268	C	S	.	.	H	α-helix	trans	-59.8	-47.5	174.5	-59.7	-58.7	0	0	0	109.7	W368 I515 Q516 Q521 W522 V523 D524	W368-I519 HydrophobicContact CH2-CD1 4Å; W368-I519 HydrophobicContact CZ2-CD1 4.33Å; I515-I519 PolarHBondContact O-N 2.79Å; Q516-I519 PolarHBondContact O-N 3.34Å; I519-Q521 VanDerWaalsContact C-N 3.27Å; I519-Q521 PolarHBondContact O-N 2.89Å; I519-W522 PolarHBondContact O-N 3.3Å; I519-V523 HydrophobicContact CB-CG2 4.46Å; I519-V523 HydrophobicContact CD1-CG2 3.94Å; I519-V523 HydrophobicContact CG2-CB 3.9Å; I519-V523 HydrophobicContact CG2-CG1 4.35Å; I519-V523 HydrophobicContact CG2-CG2 4.15Å; I519-V523 WeakPolarHBondContact O-CA 3.47Å; I519-V523 VanDerWaalsContact O-CB 3.25Å; I519-V523 WeakPolarHBondContact O-CB 3.23Å; I519-V523 PolarHBondContact O-N 3.09Å; I519-D524 PolarHBondContact O-N 3.12Å; I519-D524 VanDerWaalsContact O-N 3.1Å
520	K	84.5	Confident	84	Confident	131 Å²	131	43.8 Å²	43.8	57%	0.57	24%	0.241	S	C	*	.	H	α-helix	trans	-60.8	-32.9	178.7	-168.1	173	-177.7	178.6	0	113.7	Q516 L518 D524 Q525	Q516-K520 WeakPolarHBondContact O-CB 3.4Å; Q516-K520 PolarHBondContact O-N 2.91Å; L518-K520 VanDerWaalsContact C-N 3.34Å; K520-D524 WeakPolarHBondContact CA-OD2 3.34Å; K520-Q525 VanDerWaalsContact O-CB 3.3Å; K520-Q525 WeakPolarHBondContact O-CB 3.21Å; K520-Q525 WeakPolarHBondContact O-CG 3.22Å; K520-Q525 PolarHBondContact O-N 3.3Å; K520-Q525 PolarHBondContact O-OE1 3.48Å
521	Q	83.9	Confident	84.1	Confident	27 Å²	27	42.2 Å²	42.2	13%	0.126	23%	0.231	C	C	.	.	H	α-helix	trans	-83.1	-27.3	-178.9	-173.8	177.7	52.9	0	0	114.2	P517 L518 I519 Q558 V561	P517-Q521 WeakPolarHBondContact O-CB 3.49Å; P517-Q521 PolarHBondContact O-N 2.53Å; P517-Q521 VanDerWaalsContact O-N 3.13Å; L518-Q521 PolarHBondContact O-N 3.19Å; I519-Q521 VanDerWaalsContact C-N 3.27Å; I519-Q521 PolarHBondContact O-N 2.89Å; Q521-Q558 PolarHBondContact O-NE2 3.27Å; Q521-Q558 PolarHBondContact O-OE1 2.82Å; Q521-V561 PolarHBondContact NE2-O 2.96Å
522	W	85.9	Confident	84.3	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-127.5	-12.9	-170	-59.1	104.1	0	0	0	115.7	V456 L459 L518 I519 Q525 V529 Q558 Y560 V636 L637	V456-W522 HydrophobicContact CG2-CB 3.94Å; L459-W522 HydrophobicContact CD1-CB 4.2Å; L459-W522 HydrophobicContact CD1-CD2 3.87Å; L459-W522 HydrophobicContact CD1-CG 3.6Å; L518-W522 VanDerWaalsContact O-CD1 3.31Å; L518-W522 PolarHBondContact O-N 2.99Å; L518-W522 VanDerWaalsContact O-N 3.1Å; I519-W522 PolarHBondContact O-N 3.3Å; W522-Q525 CarbonylContact C-O 3.58Å; W522-V529 HydrophobicContact CH2-CG2 3.63Å; W522-V529 HydrophobicContact CZ2-CG2 4.46Å; W522-V529 HydrophobicContact CZ3-CG2 4.33Å; W522-Q558 VanDerWaalsContact CZ3-NE2 3.29Å; W522-Y560 HydrophobicContact CH2-CD2 4.5Å; W522-Y560 AromaticContact CZ2-CD2 3.89Å; W522-Y560 HydrophobicContact CZ2-CD2 3.89Å; W522-Y560 AromaticContact CZ2-CE2 3.93Å; W522-Y560 HydrophobicContact CZ2-CE2 3.93Å; W522-V636 HydrophobicContact CH2-CG1 3.66Å; W522-V636 HydrophobicContact CZ2-CG1 3.78Å; W522-L637 HydrophobicContact CE3-CB 4.15Å; W522-L637 HydrophobicContact CE3-CD1 3.75Å; W522-L637 HydrophobicContact CE3-CG 3.88Å; W522-L637 HydrophobicContact CH2-CB 4.07Å; W522-L637 HydrophobicContact CH2-CG 4.46Å; W522-L637 HydrophobicContact CZ3-CB 3.56Å; W522-L637 HydrophobicContact CZ3-CD1 4.02Å; W522-L637 HydrophobicContact CZ3-CG 3.82Å
523	V	84.4	Confident	84.7	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-45.8	-176.9	-170.5	0	0	0	0	110.5	W368 L413 L414 H415 V456 I519	W368-V523 HydrophobicContact CD2-CG1 4.16Å; W368-V523 HydrophobicContact CH2-CG1 4.47Å; W368-V523 HydrophobicContact CH2-CG2 4.11Å; W368-V523 HydrophobicContact CZ2-CG1 3.74Å; W368-V523 HydrophobicContact CZ2-CG2 4.15Å; W368-V523 HydrophobicContact CZ3-CG2 4.5Å; L413-V523 WeakPolarHBondContact CD1-O 3.49Å; L414-V523 HydrophobicContact CB-CB 4.39Å; L414-V523 HydrophobicContact CB-CG1 3.69Å; L414-V523 HydrophobicContact CD1-CG1 4.44Å; L414-V523 HydrophobicContact CD1-CG2 4.35Å; L414-V523 PolarHBondContact N-O 2.9Å; H415-V523 HydrophobicContact CB-CG1 3.58Å; H415-V523 PolarHBondContact N-O 3.05Å; V456-V523 HydrophobicContact CG1-CG2 3.85Å; I519-V523 HydrophobicContact CB-CG2 4.46Å; I519-V523 HydrophobicContact CD1-CG2 3.94Å; I519-V523 HydrophobicContact CG2-CB 3.9Å; I519-V523 HydrophobicContact CG2-CG1 4.35Å; I519-V523 HydrophobicContact CG2-CG2 4.15Å; I519-V523 WeakPolarHBondContact O-CA 3.47Å; I519-V523 VanDerWaalsContact O-CB 3.25Å; I519-V523 WeakPolarHBondContact O-CB 3.23Å; I519-V523 PolarHBondContact O-N 3.09Å
524	D	81.6	Confident	85.1	Confident	41 Å²	41	39 Å²	39	22%	0.219	20%	0.198	C	C	.	.	S	Bend	trans	-88.9	-18.8	175.6	-51.1	-36.1	0	0	0	112.8	L413 H415 I417 I519 K520	L413-D524 VanDerWaalsContact CD1-C 3.5Å; L413-D524 VanDerWaalsContact CD1-O 3.3Å; L413-D524 WeakPolarHBondContact CD1-O 3.22Å; H415-D524 IonicContact ND1-OD1 2.79Å; I417-D524 HydrophobicContact CD1-CB 4.02Å; I417-D524 HydrophobicContact CG1-CB 4.46Å; I519-D524 PolarHBondContact O-N 3.12Å; I519-D524 VanDerWaalsContact O-N 3.1Å; K520-D524 WeakPolarHBondContact CA-OD2 3.34Å
525	Q	78.3	Confident	85.8	Confident	99 Å²	99	37.2 Å²	37.2	46%	0.463	19%	0.186	S	C	.	.	S	Bend	trans	-118.2	143.8	173.6	-71.7	179.5	-21.2	0	0	110.2	K520 W522	K520-Q525 VanDerWaalsContact O-CB 3.3Å; K520-Q525 WeakPolarHBondContact O-CB 3.21Å; K520-Q525 WeakPolarHBondContact O-CG 3.22Å; K520-Q525 PolarHBondContact O-N 3.3Å; K520-Q525 PolarHBondContact O-OE1 3.48Å; W522-Q525 CarbonylContact C-O 3.58Å
526	S	76.3	Confident	86.1	Confident	32 Å²	32	39.3 Å²	39.3	22%	0.224	20%	0.204	C	C	.	.			trans	-127.8	101.3	-170.3	61.3	0	0	0	0	111.8	V412	V412-S526 VanDerWaalsContact O-CB 3.31Å; V412-S526 WeakPolarHBondContact O-CB 3.31Å
527	G	79.7	Confident	86.3	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.			trans	-171.6	165.8	163.8	0	0	0	0	0	112.9	E406 G556 Q558	E406-G527 WeakPolarHBondContact OE2-CA 3.48Å; G527-G556 CarbonylContact C-O 3.48Å; G527-G556 WeakPolarHBondContact CA-O 3.2Å; G527-Q558 PolarHBondContact O-NE2 2.95Å
528	V	85.9	Confident	86.3	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-90.1	144.3	169.1	162.2	0	0	0	0	109.6	I402 V403 E406 G556 T557 Q558 K639	I402-V528 HydrophobicContact CG2-CG2 4.29Å; V403-V528 HydrophobicContact CG2-CG1 3.94Å; V403-V528 HydrophobicContact CG2-CG2 4.09Å; E406-V528 HydrophobicContact CB-CG2 4.2Å; E406-V528 PolarHBondContact OE2-N 3.09Å; V528-G556 PolarHBondContact N-O 3.44Å; V528-T557 WeakPolarHBondContact O-CA 3.19Å; V528-T557 WeakPolarHBondContact O-CB 3.3Å; V528-T557 WeakPolarHBondContact O-CG2 3.39Å; V528-Q558 PolarHBondContact O-N 2.83Å; V528-Q558 VanDerWaalsContact O-N 3.16Å; V528-K639 HydrophobicContact CG1-CB 4.45Å
529	V	89.4	Confident	86.1	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	124.8	173.9	-176.1	0	0	0	0	109.4	W522 F531 Q558 Y560 V636 L637 R638 K639	W522-V529 HydrophobicContact CH2-CG2 3.63Å; W522-V529 HydrophobicContact CZ2-CG2 4.46Å; W522-V529 HydrophobicContact CZ3-CG2 4.33Å; V529-F531 HydrophobicContact CB-CE2 4.05Å; V529-F531 HydrophobicContact CB-CZ 4.37Å; V529-F531 HydrophobicContact CG1-CD1 4.27Å; V529-F531 HydrophobicContact CG1-CD2 3.91Å; V529-F531 HydrophobicContact CG1-CE1 3.83Å; V529-F531 HydrophobicContact CG1-CE2 3.46Å; V529-F531 VanDerWaalsContact CG1-CE2 3.46Å; V529-F531 HydrophobicContact CG1-CG 4.32Å; V529-F531 HydrophobicContact CG1-CZ 3.43Å; V529-F531 VanDerWaalsContact CG1-CZ 3.43Å; V529-Q558 HydrophobicContact CG2-CG 4.31Å; V529-Y560 HydrophobicContact CG2-CD2 4.28Å; V529-Y560 HydrophobicContact CG2-CG 4.43Å; V529-V636 HydrophobicContact CB-CG1 4.42Å; V529-V636 HydrophobicContact CG2-CG1 4.26Å; V529-L637 PolarHBondContact N-O 3.06Å; V529-R638 HydrophobicContact CB-CB 4.31Å; V529-R638 CarbonylContact O-C 3.56Å; V529-R638 WeakPolarHBondContact O-CA 3.07Å; V529-R638 VanDerWaalsContact O-CB 3.22Å; V529-R638 WeakPolarHBondContact O-CB 3.44Å; V529-K639 PolarHBondContact O-N 2.94Å
530	K	89.3	Confident	85.9	Confident	26 Å²	26	49.3 Å²	49.3	11%	0.113	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	123.7	167.3	-76.3	177.7	-177.5	179.5	0	110	Y532 Q550 D551 S554 T557 K639	K530-Y532 HydrophobicContact CB-CE2 4.33Å; K530-Y532 HydrophobicContact CD-CE2 4.3Å; K530-Q550 WeakPolarHBondContact O-CA 3.2Å; K530-D551 HydrophobicContact CB-CB 3.98Å; K530-D551 HydrophobicContact CD-CB 3.93Å; K530-D551 WeakPolarHBondContact CD-OD2 3.25Å; K530-D551 IonicContact NZ-OD2 3.74Å; K530-D551 PolarHBondContact NZ-OD2 3.34Å; K530-D551 PolarHBondContact O-N 3.1Å; K530-S554 VanDerWaalsContact CE-OG 3.24Å; K530-S554 WeakPolarHBondContact CE-OG 3.24Å; K530-S554 VanDerWaalsContact NZ-CB 3.3Å; K530-S554 PolarHBondContact NZ-OG 3.35Å; K530-T557 HydrophobicContact CD-CG2 3.92Å; K530-T557 HydrophobicContact CG-CG2 3.91Å; K530-K639 WeakPolarHBondContact CA-O 3.39Å; K530-K639 HydrophobicContact CG-CB 4.38Å
531	F	90.4	Very high	85.8	Confident	1 Å²	1	51 Å²	51	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.7	169	-65.3	-73	0	0	0	110.4	V529 I548 Q550 Y560 L564 I581 V636 R638 K639 E641	V529-F531 HydrophobicContact CB-CE2 4.05Å; V529-F531 HydrophobicContact CB-CZ 4.37Å; V529-F531 HydrophobicContact CG1-CD1 4.27Å; V529-F531 HydrophobicContact CG1-CD2 3.91Å; V529-F531 HydrophobicContact CG1-CE1 3.83Å; V529-F531 HydrophobicContact CG1-CE2 3.46Å; V529-F531 VanDerWaalsContact CG1-CE2 3.46Å; V529-F531 HydrophobicContact CG1-CG 4.32Å; V529-F531 HydrophobicContact CG1-CZ 3.43Å; V529-F531 VanDerWaalsContact CG1-CZ 3.43Å; F531-I548 HydrophobicContact CD1-CG2 3.74Å; F531-I548 HydrophobicContact CE1-CG2 4.43Å; F531-Q550 HydrophobicContact CD1-CG 4.27Å; F531-Q550 HydrophobicContact CE1-CG 4.19Å; F531-Y560 AromaticContact CZ-CD1 3.96Å; F531-Y560 HydrophobicContact CZ-CD1 3.96Å; F531-Y560 HydrophobicContact CZ-CG 4.11Å; F531-L564 HydrophobicContact CD1-CD2 4.21Å; F531-L564 HydrophobicContact CD2-CD2 4.41Å; F531-L564 HydrophobicContact CE1-CD2 3.88Å; F531-L564 HydrophobicContact CE2-CD1 4.27Å; F531-L564 HydrophobicContact CE2-CD2 4.07Å; F531-L564 HydrophobicContact CG-CD2 4.45Å; F531-L564 HydrophobicContact CZ-CD1 4.3Å; F531-L564 HydrophobicContact CZ-CD2 3.77Å; F531-I581 HydrophobicContact CD1-CD1 4.34Å; F531-I581 HydrophobicContact CE1-CD1 3.62Å; F531-I581 HydrophobicContact CZ-CD1 4.28Å; F531-V636 HydrophobicContact CE2-CG1 4.2Å; F531-R638 HydrophobicContact CD2-CB 3.89Å; F531-R638 HydrophobicContact CD2-CG 4.37Å; F531-R638 HydrophobicContact CE2-CB 3.95Å; F531-R638 HydrophobicContact CE2-CG 4.48Å; F531-K639 PolarHBondContact N-O 3.42Å; F531-E641 PolarHBondContact O-N 3.4Å
532	Y	91.4	Very high	85.9	Confident	86 Å²	86	51.8 Å²	51.8	34%	0.337	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	114.5	165.9	-71.9	-80.3	0	0	0	108.3	K530 K549 D551 E641	K530-Y532 HydrophobicContact CB-CE2 4.33Å; K530-Y532 HydrophobicContact CD-CE2 4.3Å; Y532-K549 PolarHBondContact N-O 3.4Å; Y532-K549 PolarHBondContact O-N 2.82Å; Y532-D551 HydrophobicContact CD2-CB 4.06Å; Y532-D551 HydrophobicContact CE2-CB 3.67Å; Y532-E641 CarbonylContact C-O 3.52Å; Y532-E641 WeakPolarHBondContact CA-O 3.15Å; Y532-E641 HydrophobicContact CD1-CB 3.77Å; Y532-E641 HydrophobicContact CE1-CB 3.71Å; Y532-E641 HydrophobicContact CE1-CG 4.16Å
533	G	90.4	Very high	86.1	Confident	2 Å²	2	52.7 Å²	52.7	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.2	-179.8	0	0	0	0	0	111.9	E547 E641 F642 E643	G533-E547 WeakPolarHBondContact CA-O 3.14Å; G533-E641 PolarHBondContact N-O 2.71Å; G533-F642 WeakPolarHBondContact O-CA 3.44Å; G533-E643 PolarHBondContact O-N 2.76Å
534	S	92.1	Very high	86.3	Confident	38 Å²	38	52.7 Å²	52.7	27%	0.266	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	157.7	171.5	-160.9	0	0	0	0	109.1	E547 E643	S534-E547 PolarHBondContact N-O 3.26Å; S534-E547 PolarHBondContact O-N 3.3Å; S534-E547 VanDerWaalsContact O-O 3.1Å; S534-E643 VanDerWaalsContact CB-OE2 3.28Å; S534-E643 WeakPolarHBondContact CB-OE2 3.32Å; S534-E643 PolarHBondContact OG-OE2 3.27Å
535	F	92	Very high	86.8	Confident	54 Å²	54	53.9 Å²	53.9	24%	0.237	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	149	-173.3	78.3	-81.5	0	0	0	113.3	L544 E545 L546 L625 I628 F642 E643 Q644 M648	F535-L544 HydrophobicContact CB-CD1 3.83Å; F535-L544 HydrophobicContact CD2-CD1 3.55Å; F535-L544 HydrophobicContact CG-CD1 4.08Å; F535-E545 WeakPolarHBondContact CA-O 3.34Å; F535-L546 HydrophobicContact CB-CD1 3.93Å; F535-L625 HydrophobicContact CE2-CD1 4.36Å; F535-I628 HydrophobicContact CB-CD1 4.18Å; F535-I628 HydrophobicContact CD1-CD1 4.03Å; F535-I628 HydrophobicContact CD2-CD1 3.92Å; F535-I628 HydrophobicContact CE1-CD1 4.43Å; F535-I628 HydrophobicContact CE2-CD1 4.32Å; F535-I628 HydrophobicContact CG-CD1 3.76Å; F535-F642 AromaticContact CD1-CE1 3.68Å; F535-F642 HydrophobicContact CD1-CE1 3.68Å; F535-F642 AromaticContact CD1-CZ 3.99Å; F535-F642 HydrophobicContact CD1-CZ 3.99Å; F535-F642 HydrophobicContact CE1-CE1 4.12Å; F535-E643 WeakPolarHBondContact CD1-O 3.41Å; F535-E643 VanDerWaalsContact CE1-O 3.3Å; F535-E643 WeakPolarHBondContact CE1-O 3.28Å; F535-Q644 HydrophobicContact CE1-CG 3.86Å; F535-M648 HydrophobicContact CE1-CE 4.23Å; F535-M648 HydrophobicContact CE1-SD 4.31Å; F535-M648 HydrophobicContact CE2-CE 4.45Å; F535-M648 HydrophobicContact CZ-CE 3.68Å; F535-M648 HydrophobicContact CZ-SD 3.76Å
536	A	89.9	Confident	87.4	Confident	51 Å²	51	49.2 Å²	49.2	42%	0.421	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	140.7	172.4	0	0	0	0	0	110.2	E545	A536-E545 HydrophobicContact CB-CB 4.43Å; A536-E545 PolarHBondContact N-O 3.11Å; A536-E545 PolarHBondContact O-N 3.2Å
537	F	88.5	Confident	88.1	Confident	41 Å²	41	49.5 Å²	49.5	18%	0.18	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	111.1	176.8	179.3	-113	0	0	0	111.4	R539 C592 P624 L625	F537-R539 HydrophobicContact CD1-CG 3.88Å; F537-R539 HydrophobicContact CE1-CB 4.43Å; F537-R539 HydrophobicContact CE1-CG 3.94Å; F537-R539 PolarHBondContact O-N 2.72Å; F537-C592 HydrophobicContact CE2-CB 4.45Å; F537-P624 HydrophobicContact CE2-CG 4.24Å; F537-P624 HydrophobicContact CZ-CG 3.96Å; F537-L625 HydrophobicContact CB-CD1 4.13Å; F537-L625 HydrophobicContact CD2-CD1 3.88Å; F537-L625 HydrophobicContact CD2-CG 4.47Å; F537-L625 HydrophobicContact CG-CD1 4.15Å
538	N	86.4	Confident	88.7	Confident	39 Å²	39	49.6 Å²	49.6	21%	0.209	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	85.3	-178.8	-166.3	-32.9	0	0	0	110.9	K540 R541 N542 V543 E545	N538-K540 PolarHBondContact O-N 3.38Å; N538-K540 PolarHBondContact OD1-N 3.02Å; N538-R541 HydrophobicContact CB-CB 4.38Å; N538-R541 PolarHBondContact O-N 3.47Å; N538-R541 PolarHBondContact OD1-N 3Å; N538-N542 PolarHBondContact O-N 3.04Å; N538-V543 WeakPolarHBondContact CB-O 3.45Å; N538-V543 PolarHBondContact N-O 3.42Å; N538-E545 HydrophobicContact CB-CG 4.42Å; N538-E545 WeakPolarHBondContact CB-OE1 3.21Å; N538-E545 PolarHBondContact ND2-OE1 3.34Å
539	R	80.7	Confident	88.9	Confident	159 Å²	159	53.7 Å²	53.7	60%	0.6	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-30.5	179.7	-60.5	-171.8	-174.8	112.1	-6.5	114.2	F537 D620	F537-R539 HydrophobicContact CD1-CG 3.88Å; F537-R539 HydrophobicContact CE1-CB 4.43Å; F537-R539 HydrophobicContact CE1-CG 3.94Å; F537-R539 PolarHBondContact O-N 2.72Å; R539-D620 IonicContact CZ-OD2 3.78Å; R539-D620 IonicContact NE-OD2 3.82Å; R539-D620 PolarHBondContact NE-OD2 3.11Å; R539-D620 IonicContact NH2-OD2 3.96Å; R539-D620 PolarHBondContact NH2-OD2 3Å
540	K	82.9	Confident	88.8	Confident	206 Å²	206	54 Å²	54	90%	0.896	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-24.5	179.7	-71.3	-176	178.1	178.4	0	113.7	N538	N538-K540 PolarHBondContact O-N 3.38Å; N538-K540 PolarHBondContact OD1-N 3.02Å
541	R	82.7	Confident	88.4	Confident	167 Å²	167	54.2 Å²	54.2	63%	0.63	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106	-14.7	-178.5	-66.2	-177.2	174.3	175.3	-2.4	113.5	N538 V543	N538-R541 HydrophobicContact CB-CB 4.38Å; N538-R541 PolarHBondContact O-N 3.47Å; N538-R541 PolarHBondContact OD1-N 3Å; R541-V543 HydrophobicContact CB-CB 4.03Å; R541-V543 HydrophobicContact CB-CG2 3.85Å
542	N	85.9	Confident	87.7	Confident	43 Å²	43	60.7 Å²	60.7	23%	0.23	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	40.7	-165.7	-150.4	62.8	0	0	0	112.1	N538 C592 S594	N538-N542 PolarHBondContact O-N 3.04Å; N542-C592 PolarHBondContact ND2-O 3.44Å; N542-C592 WeakPolarHBondContact O-CB 3.37Å; N542-C592 PolarHBondContact O-N 2.95Å; N542-S594 PolarHBondContact ND2-O 3.49Å
543	V	89.3	Confident	86.9	Confident	21 Å²	21	62.4 Å²	62.4	13%	0.127	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.2	-177.9	169.4	0	0	0	0	109.2	N538 R541 E545 D589 I590	N538-V543 WeakPolarHBondContact CB-O 3.45Å; N538-V543 PolarHBondContact N-O 3.42Å; R541-V543 HydrophobicContact CB-CB 4.03Å; R541-V543 HydrophobicContact CB-CG2 3.85Å; V543-E545 HydrophobicContact CG1-CG 4.26Å; V543-D589 HydrophobicContact CG1-CB 3.64Å; V543-I590 WeakPolarHBondContact CA-O 3.49Å
544	L	89.6	Confident	86.1	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	109.2	167.6	165.9	59.5	0	0	0	108.3	F535 L546 V568 I590 L625 I628	F535-L544 HydrophobicContact CB-CD1 3.83Å; F535-L544 HydrophobicContact CD2-CD1 3.55Å; F535-L544 HydrophobicContact CG-CD1 4.08Å; L544-L546 PolarHBondContact O-N 3.3Å; L544-V568 HydrophobicContact CD2-CG1 4.02Å; L544-V568 HydrophobicContact CD2-CG2 3.83Å; L544-I590 HydrophobicContact CB-CB 4.16Å; L544-I590 HydrophobicContact CD2-CB 4.47Å; L544-I590 HydrophobicContact CD2-CD1 4.41Å; L544-I590 HydrophobicContact CG-CB 4.4Å; L544-I590 PolarHBondContact N-O 2.98Å; L544-I590 PolarHBondContact O-N 3.06Å; L544-L625 HydrophobicContact CB-CD1 4.4Å; L544-L625 HydrophobicContact CD1-CD1 3.9Å; L544-L625 HydrophobicContact CD2-CD1 4.3Å; L544-L625 HydrophobicContact CD2-CD2 4.26Å; L544-L625 HydrophobicContact CG-CD1 4.44Å; L544-I628 HydrophobicContact CD1-CD1 4.04Å; L544-I628 HydrophobicContact CD2-CD1 3.83Å; L544-I628 HydrophobicContact CD2-CG1 4.4Å
545	E	91	Very high	84.9	Confident	66 Å²	66	65.6 Å²	65.6	31%	0.308	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	98.8	174.6	-62	176.4	-165.4	0	0	107.7	F535 A536 N538 V543	F535-E545 WeakPolarHBondContact CA-O 3.34Å; A536-E545 HydrophobicContact CB-CB 4.43Å; A536-E545 PolarHBondContact N-O 3.11Å; A536-E545 PolarHBondContact O-N 3.2Å; N538-E545 HydrophobicContact CB-CG 4.42Å; N538-E545 WeakPolarHBondContact CB-OE1 3.21Å; N538-E545 PolarHBondContact ND2-OE1 3.34Å; V543-E545 HydrophobicContact CG1-CG 4.26Å
546	L	91.8	Very high	83.9	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	121.5	-177.9	-177.8	66.6	0	0	0	110.4	F535 L544 I548 V566 L579 K587 H588 I590 F642	F535-L546 HydrophobicContact CB-CD1 3.93Å; L544-L546 PolarHBondContact O-N 3.3Å; L546-I548 HydrophobicContact CD2-CD1 4.11Å; L546-I548 HydrophobicContact CD2-CG1 4.32Å; L546-I548 HydrophobicContact CG-CG1 4.18Å; L546-V566 HydrophobicContact CD2-CG1 3.96Å; L546-V566 HydrophobicContact CD2-CG2 4.24Å; L546-L579 HydrophobicContact CD2-CD1 3.88Å; L546-K587 WeakPolarHBondContact O-CA 3.5Å; L546-H588 PolarHBondContact N-O 3.1Å; L546-H588 PolarHBondContact O-N 2.82Å; L546-I590 HydrophobicContact CB-CD1 4.27Å; L546-I590 HydrophobicContact CD2-CD1 3.91Å; L546-F642 HydrophobicContact CD1-CE2 3.96Å; L546-F642 HydrophobicContact CD1-CZ 3.88Å
547	E	91.7	Very high	83.5	Confident	37 Å²	37	62.1 Å²	62.1	17%	0.173	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	120	174.9	-171.6	178.6	-131.7	0	0	110.2	G533 S534 K549 L586 K587	G533-E547 WeakPolarHBondContact CA-O 3.14Å; S534-E547 PolarHBondContact N-O 3.26Å; S534-E547 PolarHBondContact O-N 3.3Å; S534-E547 VanDerWaalsContact O-O 3.1Å; E547-K549 HydrophobicContact CG-CD 4.39Å; E547-K549 HydrophobicContact CG-CG 4.45Å; E547-K549 VanDerWaalsContact OE1-CE 3.26Å; E547-K549 WeakPolarHBondContact OE1-CE 3.34Å; E547-K549 IonicContact OE1-NZ 2.96Å; E547-K549 PolarHBondContact OE1-NZ 3.42Å; E547-K549 VanDerWaalsContact OE1-NZ 3.09Å; E547-K549 WeakPolarHBondContact OE2-CE 3.16Å; E547-K549 IonicContact OE2-NZ 2.71Å; E547-K549 PolarHBondContact OE2-NZ 2.75Å; E547-L586 WeakPolarHBondContact CA-O 3.34Å; E547-K587 HydrophobicContact CB-CG 4.18Å; E547-K587 VanDerWaalsContact CD-CE 3.47Å; E547-K587 HydrophobicContact CG-CG 3.96Å; E547-K587 WeakPolarHBondContact OE1-CE 3.47Å; E547-K587 IonicContact OE1-NZ 2.84Å; E547-K587 PolarHBondContact OE1-NZ 3.27Å
548	I	91.1	Very high	83.2	Confident	3 Å²	3	61.1 Å²	61.1	2%	0.015	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	116	174.6	-57.2	179.7	0	0	0	108.6	F531 L546 V566 L579 I581 L586 I630	F531-I548 HydrophobicContact CD1-CG2 3.74Å; F531-I548 HydrophobicContact CE1-CG2 4.43Å; L546-I548 HydrophobicContact CD2-CD1 4.11Å; L546-I548 HydrophobicContact CD2-CG1 4.32Å; L546-I548 HydrophobicContact CG-CG1 4.18Å; I548-V566 HydrophobicContact CD1-CG2 4.32Å; I548-L579 HydrophobicContact CD1-CD1 3.95Å; I548-I581 HydrophobicContact CG2-CD1 4.09Å; I548-L586 PolarHBondContact N-O 3.32Å; I548-L586 PolarHBondContact O-N 3.1Å; I548-I630 HydrophobicContact CD1-CD1 4.41Å
549	K	90.5	Very high	83.2	Confident	85 Å²	85	63.9 Å²	63.9	37%	0.37	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	141.8	174.8	-78.9	157.2	173.9	158.8	0	110.4	Y532 E547 N584 S585	Y532-K549 PolarHBondContact N-O 3.4Å; Y532-K549 PolarHBondContact O-N 2.82Å; E547-K549 HydrophobicContact CG-CD 4.39Å; E547-K549 HydrophobicContact CG-CG 4.45Å; E547-K549 VanDerWaalsContact OE1-CE 3.26Å; E547-K549 WeakPolarHBondContact OE1-CE 3.34Å; E547-K549 IonicContact OE1-NZ 2.96Å; E547-K549 PolarHBondContact OE1-NZ 3.42Å; E547-K549 VanDerWaalsContact OE1-NZ 3.09Å; E547-K549 WeakPolarHBondContact OE2-CE 3.16Å; E547-K549 IonicContact OE2-NZ 2.71Å; E547-K549 PolarHBondContact OE2-NZ 2.75Å; K549-N584 CarbonylContact C-O 3.31Å; K549-N584 WeakPolarHBondContact CA-O 3.24Å; K549-S585 WeakPolarHBondContact CE-OG 3.5Å; K549-S585 WeakPolarHBondContact CG-OG 3.27Å
550	Q	87.5	Confident	83.4	Confident	9 Å²	9	56.5 Å²	56.5	4%	0.042	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.9	171.9	-56.5	-167.5	67.3	0	0	110.1	K530 F531 Y560 E583 N584	K530-Q550 WeakPolarHBondContact O-CA 3.2Å; F531-Q550 HydrophobicContact CD1-CG 4.27Å; F531-Q550 HydrophobicContact CE1-CG 4.19Å; Q550-Y560 PolarHBondContact NE2-O 3.16Å; Q550-Y560 VanDerWaalsContact OE1-CB 3.31Å; Q550-Y560 PolarHBondContact OE1-O 3.34Å; Q550-E583 PolarHBondContact NE2-O 2.84Å; Q550-N584 PolarHBondContact N-O 3.46Å; Q550-N584 PolarHBondContact O-ND2 3.14Å; Q550-N584 PolarHBondContact O-OD1 3.44Å
551	D	81.3	Confident	83.4	Confident	30 Å²	30	50.4 Å²	50.4	16%	0.16	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.5	165.5	170	24.8	0	0	0	109	K530 Y532 T553 S554 T557	K530-D551 HydrophobicContact CB-CB 3.98Å; K530-D551 HydrophobicContact CD-CB 3.93Å; K530-D551 WeakPolarHBondContact CD-OD2 3.25Å; K530-D551 IonicContact NZ-OD2 3.74Å; K530-D551 PolarHBondContact NZ-OD2 3.34Å; K530-D551 PolarHBondContact O-N 3.1Å; Y532-D551 HydrophobicContact CD2-CB 4.06Å; Y532-D551 HydrophobicContact CE2-CB 3.67Å; D551-T553 PolarHBondContact OD1-N 3.41Å; D551-S554 PolarHBondContact OD1-N 3.4Å; D551-S554 PolarHBondContact OD2-OG 3.16Å; D551-T557 PolarHBondContact O-OG1 3.33Å
552	Y	75.6	Confident	83.5	Confident	137 Å²	137	43 Å²	43	54%	0.537	23%	0.228	S	C	.	.			trans	-120.5	3.8	172.5	69.3	-85.3	0	0	0	112	T557 N584	Y552-T557 WeakPolarHBondContact CA-OG1 3.28Å; Y552-N584 WeakPolarHBondContact CD1-OD1 3.39Å; Y552-N584 VanDerWaalsContact CE1-OD1 3.28Å; Y552-N584 WeakPolarHBondContact CE1-OD1 3.42Å
553	T	75	Confident	83.6	Confident	122 Å²	122	42.5 Å²	42.5	75%	0.748	23%	0.227	S	C	*	.	S	Bend	trans	-82.2	-28.2	-175.9	-52.8	0	0	0	0	110.9	D551	D551-T553 PolarHBondContact OD1-N 3.41Å
554	S	72.3	Confident	83.5	Confident	25 Å²	25	41.5 Å²	41.5	18%	0.175	22%	0.221	C	C	.	.	S	Bend	trans	-75.8	145.5	177.2	68.3	0	0	0	0	113.3	K530 D551 T557	K530-S554 VanDerWaalsContact CE-OG 3.24Å; K530-S554 WeakPolarHBondContact CE-OG 3.24Å; K530-S554 VanDerWaalsContact NZ-CB 3.3Å; K530-S554 PolarHBondContact NZ-OG 3.35Å; D551-S554 PolarHBondContact OD1-N 3.4Å; D551-S554 PolarHBondContact OD2-OG 3.16Å; S554-T557 PolarHBondContact O-N 2.84Å; S554-T557 PolarHBondContact O-OG1 2.89Å; S554-T557 WeakPolarHBondContact OG-CG2 3.33Å; S554-T557 PolarHBondContact OG-OG1 2.92Å; S554-T557 VanDerWaalsContact OG-OG1 3.11Å
555	P	67.8	Low	83.5	Confident	82 Å²	82	46 Å²	46	53%	0.532	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	142	179.1	25.9	-35.1	0	0	0	111.6	T557	P555-T557 VanDerWaalsContact C-N 3.28Å; P555-T557 PolarHBondContact O-N 3.04Å
556	G	70.9	Confident	83.5	Confident	11 Å²	11	42.9 Å²	42.9	11%	0.113	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	10.8	-178.1	0	0	0	0	0	115.4	E406 G527 V528	E406-G556 WeakPolarHBondContact O-CA 3.42Å; G527-G556 CarbonylContact C-O 3.48Å; G527-G556 WeakPolarHBondContact CA-O 3.2Å; V528-G556 PolarHBondContact N-O 3.44Å
557	T	80.4	Confident	83.4	Confident	20 Å²	20	42.9 Å²	42.9	12%	0.123	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-103.7	153.2	172.1	58.1	0	0	0	0	113.5	L407 V528 K530 D551 Y552 S554 P555	L407-T557 HydrophobicContact CD2-CG2 3.44Å; L407-T557 VanDerWaalsContact CD2-CG2 3.44Å; V528-T557 WeakPolarHBondContact O-CA 3.19Å; V528-T557 WeakPolarHBondContact O-CB 3.3Å; V528-T557 WeakPolarHBondContact O-CG2 3.39Å; K530-T557 HydrophobicContact CD-CG2 3.92Å; K530-T557 HydrophobicContact CG-CG2 3.91Å; D551-T557 PolarHBondContact O-OG1 3.33Å; Y552-T557 WeakPolarHBondContact CA-OG1 3.28Å; S554-T557 PolarHBondContact O-N 2.84Å; S554-T557 PolarHBondContact O-OG1 2.89Å; S554-T557 WeakPolarHBondContact OG-CG2 3.33Å; S554-T557 PolarHBondContact OG-OG1 2.92Å; S554-T557 VanDerWaalsContact OG-OG1 3.11Å; P555-T557 VanDerWaalsContact C-N 3.28Å; P555-T557 PolarHBondContact O-N 3.04Å
558	Q	83.8	Confident	83.4	Confident	21 Å²	21	41.1 Å²	41.1	10%	0.098	22%	0.218	C	C	.	.			trans	-136.2	149.2	178.1	69	177.3	9	0	0	112.3	Q521 W522 G527 V528 V529 Y560	Q521-Q558 PolarHBondContact O-NE2 3.27Å; Q521-Q558 PolarHBondContact O-OE1 2.82Å; W522-Q558 VanDerWaalsContact CZ3-NE2 3.29Å; G527-Q558 PolarHBondContact O-NE2 2.95Å; V528-Q558 PolarHBondContact O-N 2.83Å; V528-Q558 VanDerWaalsContact O-N 3.16Å; V529-Q558 HydrophobicContact CG2-CG 4.31Å; Q558-Y560 PolarHBondContact O-N 2.93Å
559	K	84.9	Confident	83.3	Confident	96 Å²	96	41 Å²	41	42%	0.417	22%	0.217	S	C	.	.			trans	-68.8	126.5	174.6	-176.7	-175.9	175.3	-170.2	0	110.3	V561 E582	K559-V561 HydrophobicContact CD-CG2 4.42Å; K559-E582 VanDerWaalsContact CE-O 3.28Å; K559-E582 WeakPolarHBondContact CE-O 3.12Å; K559-E582 PolarHBondContact NZ-O 3.04Å
560	Y	85.2	Confident	83.2	Confident	5 Å²	5	37 Å²	37	2%	0.02	20%	0.2	C	C	.	.			trans	-83.7	140.6	166.7	-170.5	-107.5	0	0	0	111.4	W522 V529 F531 Q550 Q558 G562 P563 I581 V636	W522-Y560 HydrophobicContact CH2-CD2 4.5Å; W522-Y560 AromaticContact CZ2-CD2 3.89Å; W522-Y560 HydrophobicContact CZ2-CD2 3.89Å; W522-Y560 AromaticContact CZ2-CE2 3.93Å; W522-Y560 HydrophobicContact CZ2-CE2 3.93Å; V529-Y560 HydrophobicContact CG2-CD2 4.28Å; V529-Y560 HydrophobicContact CG2-CG 4.43Å; F531-Y560 AromaticContact CZ-CD1 3.96Å; F531-Y560 HydrophobicContact CZ-CD1 3.96Å; F531-Y560 HydrophobicContact CZ-CG 4.11Å; Q550-Y560 PolarHBondContact NE2-O 3.16Å; Q550-Y560 VanDerWaalsContact OE1-CB 3.31Å; Q550-Y560 PolarHBondContact OE1-O 3.34Å; Q558-Y560 PolarHBondContact O-N 2.93Å; Y560-G562 WeakPolarHBondContact CE1-O 3.39Å; Y560-P563 PolarHBondContact OH-O 3.02Å; Y560-I581 HydrophobicContact CD1-CB 4.35Å; Y560-V636 HydrophobicContact CD2-CG1 4.14Å; Y560-V636 HydrophobicContact CE2-CG1 4.12Å; Y560-V636 HydrophobicContact CE2-CG2 3.96Å
561	V	83.8	Confident	83	Confident	77 Å²	77	36.8 Å²	36.8	47%	0.467	20%	0.199	S	C	.	.			trans	-131.9	129.4	164.8	178.4	0	0	0	0	107.2	Q521 K559 I581	Q521-V561 PolarHBondContact NE2-O 2.96Å; K559-V561 HydrophobicContact CD-CG2 4.42Å; V561-I581 CarbonylContact C-O 3.45Å; V561-I581 VanDerWaalsContact CA-O 3.26Å; V561-I581 WeakPolarHBondContact CA-O 3.41Å
562	G	84.2	Confident	83	Confident	13 Å²	13	39.4 Å²	39.4	13%	0.134	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.7	-174.7	177.7	0	0	0	0	0	115.4	Y560 I581	Y560-G562 WeakPolarHBondContact CE1-O 3.39Å; G562-I581 PolarHBondContact N-O 3.33Å; G562-I581 PolarHBondContact O-N 3.31Å
563	P	87.6	Confident	83.4	Confident	32 Å²	32	33.1 Å²	33.1	21%	0.208	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	120.8	-174.3	28.2	-33.7	0	0	0	112.6	Y560 T578 L579 Q580	Y560-P563 PolarHBondContact OH-O 3.02Å; P563-T578 HydrophobicContact CB-CG2 3.78Å; P563-L579 CarbonylContact C-O 3.51Å; P563-L579 WeakPolarHBondContact CA-O 3.36Å; P563-Q580 VanDerWaalsContact CA-OE1 3.3Å; P563-Q580 VanDerWaalsContact N-OE1 3.13Å
564	L	88.6	Confident	83.8	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.1	171.7	-166.9	66.1	0	0	0	110	F531 L579 I581 I630 D631 V636	F531-L564 HydrophobicContact CD1-CD2 4.21Å; F531-L564 HydrophobicContact CD2-CD2 4.41Å; F531-L564 HydrophobicContact CE1-CD2 3.88Å; F531-L564 HydrophobicContact CE2-CD1 4.27Å; F531-L564 HydrophobicContact CE2-CD2 4.07Å; F531-L564 HydrophobicContact CG-CD2 4.45Å; F531-L564 HydrophobicContact CZ-CD1 4.3Å; F531-L564 HydrophobicContact CZ-CD2 3.77Å; L564-L579 PolarHBondContact N-O 2.7Å; L564-L579 PolarHBondContact O-N 3.42Å; L564-I581 HydrophobicContact CB-CD1 3.75Å; L564-I581 HydrophobicContact CB-CG1 4.26Å; L564-I581 HydrophobicContact CD2-CD1 3.48Å; L564-I581 VanDerWaalsContact CD2-CD1 3.48Å; L564-I581 HydrophobicContact CG-CD1 4.27Å; L564-I630 HydrophobicContact CD1-CG2 4.34Å; L564-I630 HydrophobicContact CD2-CG2 3.39Å; L564-I630 HydrophobicContact CG-CG2 3.87Å; L564-D631 HydrophobicContact CD1-CB 3.68Å; L564-D631 HydrophobicContact CG-CB 4.41Å; L564-V636 HydrophobicContact CD1-CG2 3.93Å
565	K	89.4	Confident	84.6	Confident	94 Å²	94	30.5 Å²	30.5	41%	0.409	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	142.2	173	-65.6	-176.6	-176.7	-179.6	0	110.2	H577 D631 D633	K565-H577 CarbonylContact C-O 3.25Å; K565-H577 WeakPolarHBondContact CA-O 3.45Å; K565-D631 WeakPolarHBondContact O-CA 3.33Å; K565-D631 PolarHBondContact O-N 3.15Å; K565-D633 WeakPolarHBondContact CD-OD2 3.27Å; K565-D633 WeakPolarHBondContact CE-OD2 3.46Å; K565-D633 IonicContact NZ-OD2 2.67Å; K565-D633 PolarHBondContact NZ-OD2 3.42Å
566	V	90.9	Very high	85.6	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	124.8	167.9	-179	0	0	0	0	108.7	L546 I548 V568 H577 L579 I628 R629 I630	L546-V566 HydrophobicContact CD2-CG1 3.96Å; L546-V566 HydrophobicContact CD2-CG2 4.24Å; I548-V566 HydrophobicContact CD1-CG2 4.32Å; V566-V568 HydrophobicContact CG1-CG2 4.45Å; V566-H577 PolarHBondContact N-O 3.24Å; V566-H577 PolarHBondContact O-N 2.88Å; V566-L579 HydrophobicContact CB-CD1 4.2Å; V566-L579 HydrophobicContact CG2-CD1 3.59Å; V566-L579 HydrophobicContact CG2-CG 4.27Å; V566-I628 HydrophobicContact CG1-CG2 3.71Å; V566-R629 CarbonylContact C-O 3.5Å; V566-R629 WeakPolarHBondContact CA-O 3.27Å; V566-I630 HydrophobicContact CG2-CG1 4.32Å; V566-I630 HydrophobicContact CG2-CG2 4.37Å
567	T	90.1	Very high	86.5	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.8	176.5	-57.1	0	0	0	0	109.2	F575 N576 M607 R629 P632	T567-F575 WeakPolarHBondContact CA-O 3.41Å; T567-N576 WeakPolarHBondContact CB-OD1 3.3Å; T567-N576 VanDerWaalsContact CG2-OD1 3.29Å; T567-N576 WeakPolarHBondContact CG2-OD1 3.41Å; T567-N576 PolarHBondContact OG1-OD1 2.99Å; T567-M607 HydrophobicContact CG2-SD 3.87Å; T567-R629 PolarHBondContact N-O 2.99Å; T567-R629 PolarHBondContact O-N 3.16Å; T567-P632 WeakPolarHBondContact OG1-CG 3.49Å
568	V	90.8	Very high	86.9	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121.7	175.5	-177.8	0	0	0	0	107.6	L544 V566 E570 F575 I590 L625	L544-V568 HydrophobicContact CD2-CG1 4.02Å; L544-V568 HydrophobicContact CD2-CG2 3.83Å; V566-V568 HydrophobicContact CG1-CG2 4.45Å; V568-E570 HydrophobicContact CG1-CG 4.02Å; V568-F575 PolarHBondContact N-O 2.98Å; V568-F575 PolarHBondContact O-N 3.16Å; V568-I590 HydrophobicContact CG2-CD1 4.36Å; V568-L625 HydrophobicContact CG1-CD2 3.62Å
569	Q	88.9	Confident	87.1	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	113.2	169	-174.6	72.1	43.5	0	0	108.3	P605 L626 W627	Q569-P605 PolarHBondContact NE2-O 3.2Å; Q569-P605 VanDerWaalsContact NE2-O 3.1Å; Q569-L626 HydrophobicContact CB-CB 4.33Å; Q569-L626 HydrophobicContact CG-CB 4.07Å; Q569-L626 HydrophobicContact CG-CD1 3.93Å; Q569-L626 PolarHBondContact O-N 3.22Å; Q569-W627 HydrophobicContact CB-CD2 3.89Å; Q569-W627 HydrophobicContact CB-CE3 4.48Å; Q569-W627 HydrophobicContact CB-CG 4.12Å; Q569-W627 HydrophobicContact CB-CZ2 4.21Å; Q569-W627 HydrophobicContact CG-CD2 4.12Å; Q569-W627 HydrophobicContact CG-CE3 4.33Å; Q569-W627 HydrophobicContact CG-CH2 3.95Å; Q569-W627 HydrophobicContact CG-CZ2 3.76Å; Q569-W627 HydrophobicContact CG-CZ3 4.22Å; Q569-W627 PolarHBondContact N-O 3.45Å
570	E	88.2	Confident	87.2	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	173.3	173.7	-52.8	-178.6	-166	0	0	111.3	V568 D572 G573 F575 C592 H593 S594 P624 L625	V568-E570 HydrophobicContact CG1-CG 4.02Å; E570-D572 VanDerWaalsContact C-N 3.31Å; E570-D572 PolarHBondContact O-N 3.28Å; E570-G573 PolarHBondContact N-O 2.73Å; E570-G573 PolarHBondContact O-N 2.82Å; E570-F575 HydrophobicContact CB-CD2 4.19Å; E570-F575 HydrophobicContact CB-CE2 4.15Å; E570-F575 VanDerWaalsContact CD-CD2 3.49Å; E570-F575 HydrophobicContact CG-CD2 3.75Å; E570-F575 HydrophobicContact CG-CE2 4.09Å; E570-C592 WeakPolarHBondContact OE1-CA 3.13Å; E570-H593 PolarHBondContact OE1-N 3.11Å; E570-H593 VanDerWaalsContact OE1-N 3.07Å; E570-H593 IonicContact OE1-ND1 3.02Å; E570-H593 PolarHBondContact OE1-ND1 2.66Å; E570-H593 PolarHBondContact OE2-N 3.31Å; E570-S594 WeakPolarHBondContact CB-OG 3.14Å; E570-S594 WeakPolarHBondContact OE2-CA 3.47Å; E570-S594 WeakPolarHBondContact OE2-CB 3.21Å; E570-S594 PolarHBondContact OE2-N 2.85Å; E570-S594 PolarHBondContact OE2-OG 3.13Å; E570-P624 CarbonylContact C-O 3.57Å; E570-P624 VanDerWaalsContact CA-O 3.32Å; E570-P624 WeakPolarHBondContact CA-O 3.48Å; E570-L625 HydrophobicContact CG-CD2 4.33Å
571	L	82.8	Confident	87.2	Confident	5 Å²	5	36 Å²	36	3%	0.026	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-32.8	175.3	-70.7	178.6	0	0	0	114.6	K602 I604 L616 M619 P624 L626	L571-K602 VanDerWaalsContact C-NZ 3.32Å; L571-K602 PolarHBondContact O-NZ 3.44Å; L571-I604 HydrophobicContact CD2-CD1 3.69Å; L571-L616 HydrophobicContact CD2-CD1 3.69Å; L571-L616 HydrophobicContact CD2-CD2 3.98Å; L571-M619 HydrophobicContact CD1-CE 4.2Å; L571-M619 HydrophobicContact CD2-CE 4.14Å; L571-M619 HydrophobicContact CD2-SD 4.1Å; L571-P624 HydrophobicContact CD1-CB 4.1Å; L571-P624 HydrophobicContact CG-CB 4.29Å; L571-P624 PolarHBondContact N-O 3.18Å; L571-L626 HydrophobicContact CD2-CD2 4.15Å; L571-L626 HydrophobicContact CD2-CG 4.47Å
572	D	81.6	Confident	87.1	Confident	85 Å²	85	38.5 Å²	38.5	46%	0.455	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-2.8	179.1	-67.7	-57.6	0	0	0	113.4	E570 S594 K602 P605	E570-D572 VanDerWaalsContact C-N 3.31Å; E570-D572 PolarHBondContact O-N 3.28Å; D572-S594 WeakPolarHBondContact CB-OG 3.44Å; D572-S594 PolarHBondContact N-OG 3.27Å; D572-S594 VanDerWaalsContact OD2-CA 3.28Å; D572-S594 WeakPolarHBondContact OD2-CA 3.49Å; D572-S594 VanDerWaalsContact OD2-CB 3.3Å; D572-S594 WeakPolarHBondContact OD2-CB 3.31Å; D572-S594 PolarHBondContact OD2-OG 2.89Å; D572-K602 IonicContact OD1-NZ 3.63Å; D572-K602 PolarHBondContact OD1-NZ 2.89Å; D572-K602 IonicContact OD2-NZ 2.71Å; D572-P605 WeakPolarHBondContact O-CG 3.44Å
573	G	83.6	Confident	87	Confident	6 Å²	6	43.8 Å²	43.8	6%	0.062	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.5	-174.6	170.9	0	0	0	0	0	115.3	E570 F575	E570-G573 PolarHBondContact N-O 2.73Å; E570-G573 PolarHBondContact O-N 2.82Å; G573-F575 WeakPolarHBondContact O-CD2 3.39Å; G573-F575 WeakPolarHBondContact O-CE2 3.43Å
574	S	85.3	Confident	86.8	Confident	36 Å²	36	44.9 Å²	44.9	25%	0.252	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	124.8	174.7	60.5	0	0	0	0	112	M607	S574-M607 VanDerWaalsContact CB-CG 3.42Å; S574-M607 WeakPolarHBondContact OG-CG 3.5Å
575	F	88.4	Confident	86.7	Confident	55 Å²	55	47.4 Å²	47.4	24%	0.241	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.2	176.4	-62.9	-85.7	0	0	0	111.1	T567 V568 E570 G573 H593	T567-F575 WeakPolarHBondContact CA-O 3.41Å; V568-F575 PolarHBondContact N-O 2.98Å; V568-F575 PolarHBondContact O-N 3.16Å; E570-F575 HydrophobicContact CB-CD2 4.19Å; E570-F575 HydrophobicContact CB-CE2 4.15Å; E570-F575 VanDerWaalsContact CD-CD2 3.49Å; E570-F575 HydrophobicContact CG-CD2 3.75Å; E570-F575 HydrophobicContact CG-CE2 4.09Å; G573-F575 WeakPolarHBondContact O-CD2 3.39Å; G573-F575 WeakPolarHBondContact O-CE2 3.43Å; F575-H593 AromaticContact CD1-CE1 3.69Å; F575-H593 AromaticContact CD1-CG 3.96Å; F575-H593 AromaticContact CD1-ND1 3.51Å; F575-H593 AromaticContact CD2-ND1 3.93Å; F575-H593 HydrophobicContact CE1-CB 4.03Å; F575-H593 AromaticContact CE1-CG 3.64Å; F575-H593 AromaticContact CE1-ND1 3.69Å; F575-H593 HydrophobicContact CE2-CB 4.05Å; F575-H593 AromaticContact CG-ND1 3.64Å; F575-H593 HydrophobicContact CZ-CB 3.67Å; F575-H593 AromaticContact CZ-CG 3.8Å; F575-H593 AromaticContact CZ-ND1 3.98Å
576	N	88.4	Confident	86.6	Confident	105 Å²	105	44.4 Å²	44.4	56%	0.561	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	113.2	-178	-71.2	-44.3	0	0	0	110.3	T567	T567-N576 WeakPolarHBondContact CB-OD1 3.3Å; T567-N576 VanDerWaalsContact CG2-OD1 3.29Å; T567-N576 WeakPolarHBondContact CG2-OD1 3.41Å; T567-N576 PolarHBondContact OG1-OD1 2.99Å
577	H	89.6	Confident	86.6	Confident	36 Å²	36	51.5 Å²	51.5	17%	0.167	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	148.3	175.9	-57.9	-88.7	0	0	0	109.7	K565 V566 L579	K565-H577 CarbonylContact C-O 3.25Å; K565-H577 WeakPolarHBondContact CA-O 3.45Å; V566-H577 PolarHBondContact N-O 3.24Å; V566-H577 PolarHBondContact O-N 2.88Å; H577-L579 HydrophobicContact CB-CD2 4.49Å
578	T	88.4	Confident	86.5	Confident	91 Å²	91	53.6 Å²	53.6	56%	0.558	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	118	172	-58.2	0	0	0	0	107.9	P563	P563-T578 HydrophobicContact CB-CG2 3.78Å
579	L	88.4	Confident	86.5	Confident	15 Å²	15	58.1 Å²	58.1	8%	0.079	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.6	-174.1	-54.6	179.6	0	0	0	108.5	L546 I548 P563 L564 V566 H577 H588	L546-L579 HydrophobicContact CD2-CD1 3.88Å; I548-L579 HydrophobicContact CD1-CD1 3.95Å; P563-L579 CarbonylContact C-O 3.51Å; P563-L579 WeakPolarHBondContact CA-O 3.36Å; L564-L579 PolarHBondContact N-O 2.7Å; L564-L579 PolarHBondContact O-N 3.42Å; V566-L579 HydrophobicContact CB-CD1 4.2Å; V566-L579 HydrophobicContact CG2-CD1 3.59Å; V566-L579 HydrophobicContact CG2-CG 4.27Å; H577-L579 HydrophobicContact CB-CD2 4.49Å; L579-H588 HydrophobicContact CD1-CB 4.41Å; L579-H588 HydrophobicContact CD2-CB 4.19Å
580	Q	87.3	Confident	86.5	Confident	102 Å²	102	58.3 Å²	58.3	48%	0.477	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	114	176	-66.3	-70.2	10.3	0	0	108.9	P563 L586	P563-Q580 VanDerWaalsContact CA-OE1 3.3Å; P563-Q580 VanDerWaalsContact N-OE1 3.13Å; Q580-L586 WeakPolarHBondContact O-CD2 3.39Å
581	I	85.6	Confident	86.5	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	112.5	179	-59.3	-175.1	0	0	0	108.6	F531 I548 Y560 V561 G562 L564 L586	F531-I581 HydrophobicContact CD1-CD1 4.34Å; F531-I581 HydrophobicContact CE1-CD1 3.62Å; F531-I581 HydrophobicContact CZ-CD1 4.28Å; I548-I581 HydrophobicContact CG2-CD1 4.09Å; Y560-I581 HydrophobicContact CD1-CB 4.35Å; V561-I581 CarbonylContact C-O 3.45Å; V561-I581 VanDerWaalsContact CA-O 3.26Å; V561-I581 WeakPolarHBondContact CA-O 3.41Å; G562-I581 PolarHBondContact N-O 3.33Å; G562-I581 PolarHBondContact O-N 3.31Å; L564-I581 HydrophobicContact CB-CD1 3.75Å; L564-I581 HydrophobicContact CB-CG1 4.26Å; L564-I581 HydrophobicContact CD2-CD1 3.48Å; L564-I581 VanDerWaalsContact CD2-CD1 3.48Å; L564-I581 HydrophobicContact CG-CD1 4.27Å; I581-L586 HydrophobicContact CG1-CD2 4.49Å
582	E	80.8	Confident	86.5	Confident	130 Å²	130	62.2 Å²	62.2	61%	0.607	33%	0.325	S	S	*	.			trans	-117.8	-34.6	178.5	-62	-178	-172.3	0	0	111.6	K559	K559-E582 VanDerWaalsContact CE-O 3.28Å; K559-E582 WeakPolarHBondContact CE-O 3.12Å; K559-E582 PolarHBondContact NZ-O 3.04Å
583	E	82.9	Confident	86.5	Confident	123 Å²	123	63.2 Å²	63.2	58%	0.575	33%	0.327	S	S	*	.	S	Bend	trans	-101.1	176.7	-178.8	-61.5	-162.4	160	0	0	113.5	Q550	Q550-E583 PolarHBondContact NE2-O 2.84Å
584	N	83.2	Confident	86.3	Confident	56 Å²	56	62.9 Å²	62.9	30%	0.299	32%	0.324	S	S	.	.	S	Bend	trans	-85.2	-24.5	-179.3	-158.7	74	0	0	0	114.1	K549 Q550 Y552	K549-N584 CarbonylContact C-O 3.31Å; K549-N584 WeakPolarHBondContact CA-O 3.24Å; Q550-N584 PolarHBondContact N-O 3.46Å; Q550-N584 PolarHBondContact O-ND2 3.14Å; Q550-N584 PolarHBondContact O-OD1 3.44Å; Y552-N584 WeakPolarHBondContact CD1-OD1 3.39Å; Y552-N584 VanDerWaalsContact CE1-OD1 3.28Å; Y552-N584 WeakPolarHBondContact CE1-OD1 3.42Å
585	S	85.7	Confident	85.8	Confident	53 Å²	53	68.5 Å²	68.5	37%	0.371	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	100	179.9	179.3	0	0	0	0	108.2	K549	K549-S585 WeakPolarHBondContact CE-OG 3.5Å; K549-S585 WeakPolarHBondContact CG-OG 3.27Å
586	L	88.1	Confident	84.8	Confident	30 Å²	30	67.9 Å²	67.9	16%	0.157	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.3	-168.3	-168	58.4	0	0	0	110.4	E547 I548 Q580 I581 H588	E547-L586 WeakPolarHBondContact CA-O 3.34Å; I548-L586 PolarHBondContact N-O 3.32Å; I548-L586 PolarHBondContact O-N 3.1Å; Q580-L586 WeakPolarHBondContact O-CD2 3.39Å; I581-L586 HydrophobicContact CG1-CD2 4.49Å; L586-H588 WeakPolarHBondContact CD2-NE2 3.33Å
587	K	90.1	Very high	83.7	Confident	149 Å²	149	71.4 Å²	71.4	65%	0.648	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.8	175.7	-68.4	-174.1	176.7	-172.7	0	109.7	L546 E547	L546-K587 WeakPolarHBondContact O-CA 3.5Å; E547-K587 HydrophobicContact CB-CG 4.18Å; E547-K587 VanDerWaalsContact CD-CE 3.47Å; E547-K587 HydrophobicContact CG-CG 3.96Å; E547-K587 WeakPolarHBondContact OE1-CE 3.47Å; E547-K587 IonicContact OE1-NZ 2.84Å; E547-K587 PolarHBondContact OE1-NZ 3.27Å
588	H	88.8	Confident	82.3	Confident	46 Å²	46	78.9 Å²	78.9	21%	0.213	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.2	-180	-79.3	-57.8	0	0	0	111.4	L546 L579 L586 I590	L546-H588 PolarHBondContact N-O 3.1Å; L546-H588 PolarHBondContact O-N 2.82Å; L579-H588 HydrophobicContact CD1-CB 4.41Å; L579-H588 HydrophobicContact CD2-CB 4.19Å; L586-H588 WeakPolarHBondContact CD2-NE2 3.33Å; H588-I590 PolarHBondContact O-N 3.25Å
589	D	90.4	Very high	81.2	Confident	95 Å²	95	78.1 Å²	78.1	51%	0.508	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	104.2	171.8	-77.1	25.1	0	0	0	109.4	V543	V543-D589 HydrophobicContact CG1-CB 3.64Å
590	I	89.1	Confident	80.3	Confident	4 Å²	4	85.7 Å²	85.7	2%	0.021	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116.9	174.9	-63.2	176.2	0	0	0	108.6	V543 L544 L546 V568 H588 C592	V543-I590 WeakPolarHBondContact CA-O 3.49Å; L544-I590 HydrophobicContact CB-CB 4.16Å; L544-I590 HydrophobicContact CD2-CB 4.47Å; L544-I590 HydrophobicContact CD2-CD1 4.41Å; L544-I590 HydrophobicContact CG-CB 4.4Å; L544-I590 PolarHBondContact N-O 2.98Å; L544-I590 PolarHBondContact O-N 3.06Å; L546-I590 HydrophobicContact CB-CD1 4.27Å; L546-I590 HydrophobicContact CD2-CD1 3.91Å; V568-I590 HydrophobicContact CG2-CD1 4.36Å; H588-I590 PolarHBondContact O-N 3.25Å; I590-C592 PolarHBondContact O-N 2.94Å
591	P	87.8	Confident	79.7	Confident	76 Å²	76	87.2 Å²	87.2	49%	0.494	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	125.6	176.3	29.3	-33.3	0	0	0	110.3
592	C	83.4	Confident	79.3	Confident	12 Å²	12	89.2 Å²	89.2	8%	0.081	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-81.4	133.2	175.1	-61.8	0	0	0	0	110.3	F537 N542 E570 I590 P624	F537-C592 HydrophobicContact CE2-CB 4.45Å; N542-C592 PolarHBondContact ND2-O 3.44Å; N542-C592 WeakPolarHBondContact O-CB 3.37Å; N542-C592 PolarHBondContact O-N 2.95Å; E570-C592 WeakPolarHBondContact OE1-CA 3.13Å; I590-C592 PolarHBondContact O-N 2.94Å; C592-P624 HydrophobicContact CB-CG 4.36Å
593	H	80.6	Confident	79.3	Confident	105 Å²	105	88 Å²	88	49%	0.486	41%	0.41	S	S	.	.			trans	-83.6	-38	-177.2	-57	80.4	0	0	0	111.4	E570 F575	E570-H593 PolarHBondContact OE1-N 3.11Å; E570-H593 VanDerWaalsContact OE1-N 3.07Å; E570-H593 IonicContact OE1-ND1 3.02Å; E570-H593 PolarHBondContact OE1-ND1 2.66Å; E570-H593 PolarHBondContact OE2-N 3.31Å; F575-H593 AromaticContact CD1-CE1 3.69Å; F575-H593 AromaticContact CD1-CG 3.96Å; F575-H593 AromaticContact CD1-ND1 3.51Å; F575-H593 AromaticContact CD2-ND1 3.93Å; F575-H593 HydrophobicContact CE1-CB 4.03Å; F575-H593 AromaticContact CE1-CG 3.64Å; F575-H593 AromaticContact CE1-ND1 3.69Å; F575-H593 HydrophobicContact CE2-CB 4.05Å; F575-H593 AromaticContact CG-ND1 3.64Å; F575-H593 HydrophobicContact CZ-CB 3.67Å; F575-H593 AromaticContact CZ-CG 3.8Å; F575-H593 AromaticContact CZ-ND1 3.98Å
594	S	80.1	Confident	79.2	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	38%	0.382	C	S	.	.	S	Bend	trans	-70.5	148.8	179.7	-52.6	0	0	0	0	111.3	N542 E570 D572	N542-S594 PolarHBondContact ND2-O 3.49Å; E570-S594 WeakPolarHBondContact CB-OG 3.14Å; E570-S594 WeakPolarHBondContact OE2-CA 3.47Å; E570-S594 WeakPolarHBondContact OE2-CB 3.21Å; E570-S594 PolarHBondContact OE2-N 2.85Å; E570-S594 PolarHBondContact OE2-OG 3.13Å; D572-S594 WeakPolarHBondContact CB-OG 3.44Å; D572-S594 PolarHBondContact N-OG 3.27Å; D572-S594 VanDerWaalsContact OD2-CA 3.28Å; D572-S594 WeakPolarHBondContact OD2-CA 3.49Å; D572-S594 VanDerWaalsContact OD2-CB 3.3Å; D572-S594 WeakPolarHBondContact OD2-CB 3.31Å; D572-S594 PolarHBondContact OD2-OG 2.89Å
595	K	74.5	Confident	79.1	Confident	153 Å²	153	81.6 Å²	81.6	67%	0.665	38%	0.382	S	S	*	.			trans	-109.1	124.2	169.8	-65.6	-174.6	179.2	-176.8	0	109.2	R597	K595-R597 PolarHBondContact O-N 3.3Å
596	S	66.9	Low	78.7	Confident	42 Å²	42	79.5 Å²	79.5	29%	0.294	37%	0.366	S	S	.	.			trans	-57.2	132.5	173	41.1	0	0	0	0	110.4	D622	S596-D622 VanDerWaalsContact CB-C 3.43Å; S596-D622 VanDerWaalsContact CB-O 3.28Å; S596-D622 WeakPolarHBondContact CB-O 3.31Å; S596-D622 PolarHBondContact OG-O 3.02Å
597	R	65.9	Low	77.8	Confident	180 Å²	180	81.6 Å²	81.6	68%	0.679	38%	0.376	S	S	*	.			trans	-143.5	142.3	176.9	-70.4	-171.7	-178.5	-127.3	5.3	107.9	K595 N599	K595-R597 PolarHBondContact O-N 3.3Å; R597-N599 PolarHBondContact O-N 2.97Å
598	R	61.2	Low	76.7	Confident	193 Å²	193	79.3 Å²	79.3	73%	0.728	37%	0.371	S	S	*	.			trans	-75.2	61.2	-176	-61.4	-168.5	173.8	-175.7	-3.5	113	A621 D622	R598-A621 HydrophobicContact CG-CB 4.26Å; R598-D622 IonicContact CZ-OD1 3.34Å; R598-D622 IonicContact NE-OD1 2.62Å; R598-D622 IonicContact NH2-OD1 2.65Å; R598-D622 PolarHBondContact NH2-OD1 2.92Å; R598-D622 IonicContact NH2-OD2 3.69Å
599	N	65.3	Low	75.6	Confident	75 Å²	75	80 Å²	80	40%	0.401	39%	0.39	S	S	.	.			trans	-94.1	116.2	175.3	-66.6	0.6	0	0	0	108.9	R597 K601	R597-N599 PolarHBondContact O-N 2.97Å; N599-K601 VanDerWaalsContact C-N 3.25Å; N599-K601 PolarHBondContact O-N 3.42Å
600	K	68.6	Low	74.9	Confident	173 Å²	173	79.3 Å²	79.3	75%	0.752	38%	0.384	S	S	*	.	S	Bend	trans	-65.7	-29.3	177.3	-67	-171.2	176.5	-172.9	0	113	L616	K600-L616 PolarHBondContact O-N 3.38Å
601	K	73.9	Confident	74.2	Confident	135 Å²	135	85.2 Å²	85.2	59%	0.587	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.9	172.2	-62.5	-166.2	171.1	-166.7	0	109.9	N599 M614 D615	N599-K601 VanDerWaalsContact C-N 3.25Å; N599-K601 PolarHBondContact O-N 3.42Å; K601-M614 VanDerWaalsContact CA-O 3.28Å; K601-M614 WeakPolarHBondContact CA-O 3.42Å; K601-D615 WeakPolarHBondContact CE-OD2 3.49Å; K601-D615 IonicContact NZ-OD2 3.78Å; K601-D615 PolarHBondContact NZ-OD2 2.93Å
602	K	79.1	Confident	73.8	Confident	43 Å²	43	83.2 Å²	83.2	19%	0.187	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	143.1	175.5	-160.7	-165.2	170.3	-170.5	0	109.6	L571 D572 I604 M614 L616	L571-K602 VanDerWaalsContact C-NZ 3.32Å; L571-K602 PolarHBondContact O-NZ 3.44Å; D572-K602 IonicContact OD1-NZ 3.63Å; D572-K602 PolarHBondContact OD1-NZ 2.89Å; D572-K602 IonicContact OD2-NZ 2.71Å; K602-I604 HydrophobicContact CB-CD1 4.36Å; K602-I604 HydrophobicContact CB-CG1 4.12Å; K602-I604 HydrophobicContact CD-CD1 4.41Å; K602-I604 HydrophobicContact CD-CG1 4.06Å; K602-I604 HydrophobicContact CG-CG1 4.3Å; K602-M614 PolarHBondContact N-O 3.44Å; K602-M614 VanDerWaalsContact N-O 3.15Å; K602-M614 PolarHBondContact O-N 2.95Å; K602-L616 HydrophobicContact CB-CD1 3.91Å
603	K	79.7	Confident	73.6	Confident	106 Å²	106	87 Å²	87	46%	0.461	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	127.2	160.4	-70.4	-176.6	175.3	-66.8	0	109	E611 V612 D613	K603-E611 WeakPolarHBondContact CD-OE2 3.47Å; K603-V612 WeakPolarHBondContact CA-O 3.4Å; K603-D613 WeakPolarHBondContact CG-OD1 3.23Å; K603-D613 IonicContact NZ-OD1 3.81Å; K603-D613 IonicContact NZ-OD2 3.95Å; K603-D613 PolarHBondContact NZ-OD2 3.22Å
604	I	80.9	Confident	73.5	Confident	0 Å²	0	82 Å²	82	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125	-176.7	-58.5	-174.6	0	0	0	108.1	L571 K602 L606 V612 M614 L616 L626	L571-I604 HydrophobicContact CD2-CD1 3.69Å; K602-I604 HydrophobicContact CB-CD1 4.36Å; K602-I604 HydrophobicContact CB-CG1 4.12Å; K602-I604 HydrophobicContact CD-CD1 4.41Å; K602-I604 HydrophobicContact CD-CG1 4.06Å; K602-I604 HydrophobicContact CG-CG1 4.3Å; I604-L606 PolarHBondContact O-N 3.38Å; I604-V612 PolarHBondContact N-O 2.86Å; I604-V612 PolarHBondContact O-N 2.8Å; I604-M614 HydrophobicContact CB-SD 4.18Å; I604-M614 HydrophobicContact CD1-CB 4.17Å; I604-M614 HydrophobicContact CD1-CG 4.4Å; I604-M614 HydrophobicContact CD1-SD 3.9Å; I604-M614 HydrophobicContact CG1-SD 4.44Å; I604-M614 HydrophobicContact CG2-SD 4.49Å; I604-L616 HydrophobicContact CD1-CD1 4.48Å; I604-L616 HydrophobicContact CD1-CD2 4.17Å; I604-L626 HydrophobicContact CD1-CD1 3.8Å; I604-L626 HydrophobicContact CG2-CD1 4.04Å
605	P	80.3	Confident	73.4	Confident	44 Å²	44	84.3 Å²	84.3	29%	0.286	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	121.3	176.1	29.4	-31.1	0	0	0	110	Q569 D572	Q569-P605 PolarHBondContact NE2-O 3.2Å; Q569-P605 VanDerWaalsContact NE2-O 3.1Å; D572-P605 WeakPolarHBondContact O-CG 3.44Å
606	L	77.9	Confident	73.6	Confident	9 Å²	9	77.5 Å²	77.5	5%	0.047	38%	0.377	C	S	.	.			trans	-78.3	169.4	170.6	-59.5	175.8	0	0	0	110.7	I604 N608 G609 E610 V612 W627 Y655	I604-L606 PolarHBondContact O-N 3.38Å; L606-N608 PolarHBondContact O-N 3.34Å; L606-G609 PolarHBondContact O-N 3.19Å; L606-E610 PolarHBondContact N-O 3.35Å; L606-V612 HydrophobicContact CD1-CB 4.46Å; L606-V612 HydrophobicContact CD1-CG2 3.59Å; L606-V612 HydrophobicContact CG-CG2 4.21Å; L606-W627 HydrophobicContact CD2-CH2 3.81Å; L606-W627 HydrophobicContact CD2-CZ2 4.04Å; L606-Y655 WeakPolarHBondContact CD1-O 3.39Å
607	M	69	Low	74	Confident	73 Å²	73	80 Å²	80	36%	0.36	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-28.1	175.2	-77.6	-165.1	77.2	0	0	114.3	T567 S574 G609 R629	T567-M607 HydrophobicContact CG2-SD 3.87Å; S574-M607 VanDerWaalsContact CB-CG 3.42Å; S574-M607 WeakPolarHBondContact OG-CG 3.5Å; M607-G609 VanDerWaalsContact C-N 3.29Å; M607-G609 PolarHBondContact O-N 3.04Å; M607-R629 PolarHBondContact SD-NH2 3.15Å
608	N	66.6	Low	74.3	Confident	102 Å²	102	74.4 Å²	74.4	55%	0.545	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-5.1	-179.8	-67.8	11.2	0	0	0	113.9	L606 E610 R657	L606-N608 PolarHBondContact O-N 3.34Å; N608-E610 HydrophobicContact CB-CG 4.32Å; N608-E610 PolarHBondContact O-N 3.48Å; N608-R657 WeakPolarHBondContact ND2-CB 3.45Å; N608-R657 WeakPolarHBondContact ND2-CG 3.23Å
609	G	67.2	Low	75.1	Confident	59 Å²	59	66.2 Å²	66.2	61%	0.608	36%	0.357	S	S	*	.	S	Bend	trans	77.4	1.2	-169.3	0	0	0	0	0	114.5	L606 M607 E611	L606-G609 PolarHBondContact O-N 3.19Å; M607-G609 VanDerWaalsContact C-N 3.29Å; M607-G609 PolarHBondContact O-N 3.04Å; G609-E611 PolarHBondContact O-N 3.42Å
610	E	74.8	Confident	75.4	Confident	81 Å²	81	65.5 Å²	65.5	38%	0.379	35%	0.353	S	S	.	.			trans	-69.1	115.3	169.3	-65.4	-170.7	162.3	0	0	109.4	L606 N608 V612 R657	L606-E610 PolarHBondContact N-O 3.35Å; N608-E610 HydrophobicContact CB-CG 4.32Å; N608-E610 PolarHBondContact O-N 3.48Å; E610-V612 HydrophobicContact CB-CG2 4.42Å; E610-V612 PolarHBondContact O-N 3.38Å; E610-R657 IonicContact OE1-NH2 2.78Å; E610-R657 IonicContact OE2-CZ 2.71Å; E610-R657 IonicContact OE2-NE 3.5Å; E610-R657 PolarHBondContact OE2-NE 3.38Å; E610-R657 IonicContact OE2-NH2 3.27Å; E610-R657 PolarHBondContact OE2-NH2 3.5Å
611	E	75.6	Confident	75.4	Confident	129 Å²	129	59.1 Å²	59.1	60%	0.603	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	112.4	167.3	-77.9	-172.2	-169.2	0	0	110.3	K603 G609	K603-E611 WeakPolarHBondContact CD-OE2 3.47Å; G609-E611 PolarHBondContact O-N 3.42Å
612	V	79.3	Confident	75.3	Confident	33 Å²	33	56.1 Å²	56.1	20%	0.2	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.7	179.3	-175.4	0	0	0	0	111	K603 I604 L606 E610 M614 Y655	K603-V612 WeakPolarHBondContact CA-O 3.4Å; I604-V612 PolarHBondContact N-O 2.86Å; I604-V612 PolarHBondContact O-N 2.8Å; L606-V612 HydrophobicContact CD1-CB 4.46Å; L606-V612 HydrophobicContact CD1-CG2 3.59Å; L606-V612 HydrophobicContact CG-CG2 4.21Å; E610-V612 HydrophobicContact CB-CG2 4.42Å; E610-V612 PolarHBondContact O-N 3.38Å; V612-M614 PolarHBondContact O-N 2.98Å; V612-M614 VanDerWaalsContact O-N 3.13Å; V612-Y655 HydrophobicContact CG1-CD1 3.62Å; V612-Y655 HydrophobicContact CG1-CE1 3.63Å
613	D	77.8	Confident	75.3	Confident	92 Å²	92	54.7 Å²	54.7	49%	0.492	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	98	170.6	-78	-73.8	0	0	0	110.2	K603	K603-D613 WeakPolarHBondContact CG-OD1 3.23Å; K603-D613 IonicContact NZ-OD1 3.81Å; K603-D613 IonicContact NZ-OD2 3.95Å; K603-D613 PolarHBondContact NZ-OD2 3.22Å
614	M	78.6	Confident	75.4	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	138.9	176.2	-67.9	-174.9	55.1	0	0	111.2	K601 K602 I604 V612 L616 L626 W627 Y651 Y655	K601-M614 VanDerWaalsContact CA-O 3.28Å; K601-M614 WeakPolarHBondContact CA-O 3.42Å; K602-M614 PolarHBondContact N-O 3.44Å; K602-M614 VanDerWaalsContact N-O 3.15Å; K602-M614 PolarHBondContact O-N 2.95Å; I604-M614 HydrophobicContact CB-SD 4.18Å; I604-M614 HydrophobicContact CD1-CB 4.17Å; I604-M614 HydrophobicContact CD1-CG 4.4Å; I604-M614 HydrophobicContact CD1-SD 3.9Å; I604-M614 HydrophobicContact CG1-SD 4.44Å; I604-M614 HydrophobicContact CG2-SD 4.49Å; V612-M614 PolarHBondContact O-N 2.98Å; V612-M614 VanDerWaalsContact O-N 3.13Å; M614-L616 HydrophobicContact CB-CD2 4.22Å; M614-L616 HydrophobicContact CE-CD2 4.45Å; M614-L626 HydrophobicContact CE-CD1 3.77Å; M614-L626 HydrophobicContact CE-CD2 3.81Å; M614-L626 HydrophobicContact CE-CG 4.35Å; M614-L626 HydrophobicContact SD-CD1 3.82Å; M614-W627 HydrophobicContact CE-CZ3 4.03Å; M614-W627 HydrophobicContact SD-CZ3 4.43Å; M614-Y651 HydrophobicContact CE-CD1 4.03Å; M614-Y651 HydrophobicContact CE-CD2 4.21Å; M614-Y651 HydrophobicContact CE-CE1 4.45Å; M614-Y651 HydrophobicContact CE-CG 3.88Å; M614-Y655 HydrophobicContact CB-CE2 4.37Å; M614-Y655 HydrophobicContact CE-CD2 3.75Å; M614-Y655 HydrophobicContact CE-CE2 3.79Å; M614-Y655 HydrophobicContact CG-CD2 3.95Å; M614-Y655 HydrophobicContact CG-CE1 4.41Å; M614-Y655 HydrophobicContact CG-CE2 3.69Å; M614-Y655 HydrophobicContact CG-CG 4.41Å; M614-Y655 HydrophobicContact SD-CD2 3.93Å; M614-Y655 HydrophobicContact SD-CE2 4.17Å; M614-Y655 HydrophobicContact SD-CG 4.48Å
615	D	78.2	Confident	75.7	Confident	49 Å²	49	50 Å²	50	26%	0.262	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	118.6	167.5	-163.3	-49.5	0	0	0	109.1	K601 S617 Y651	K601-D615 WeakPolarHBondContact CE-OD2 3.49Å; K601-D615 IonicContact NZ-OD2 3.78Å; K601-D615 PolarHBondContact NZ-OD2 2.93Å; D615-S617 VanDerWaalsContact OD1-CB 3.24Å; D615-S617 WeakPolarHBondContact OD1-CB 3.39Å; D615-S617 PolarHBondContact OD1-N 2.94Å; D615-S617 VanDerWaalsContact OD1-N 3.12Å; D615-S617 PolarHBondContact OD1-OG 2.54Å; D615-Y651 WeakPolarHBondContact O-CE1 3.47Å; D615-Y651 PolarHBondContact O-OH 2.9Å
616	L	79.3	Confident	76	Confident	10 Å²	10	47.9 Å²	47.9	5%	0.052	29%	0.285	C	S	.	.			trans	-102.1	11.9	-171.3	-59.6	174.9	0	0	0	112.4	L571 K600 K602 I604 M614 A618 M619 L626	L571-L616 HydrophobicContact CD2-CD1 3.69Å; L571-L616 HydrophobicContact CD2-CD2 3.98Å; K600-L616 PolarHBondContact O-N 3.38Å; K602-L616 HydrophobicContact CB-CD1 3.91Å; I604-L616 HydrophobicContact CD1-CD1 4.48Å; I604-L616 HydrophobicContact CD1-CD2 4.17Å; M614-L616 HydrophobicContact CB-CD2 4.22Å; M614-L616 HydrophobicContact CE-CD2 4.45Å; L616-A618 PolarHBondContact O-N 3.11Å; L616-M619 HydrophobicContact CB-CE 4.48Å; L616-M619 HydrophobicContact CD2-SD 4.25Å; L616-M619 WeakPolarHBondContact O-CB 3.2Å; L616-M619 PolarHBondContact O-N 3.27Å; L616-M619 VanDerWaalsContact O-N 3.16Å; L616-L626 HydrophobicContact CD2-CD2 3.96Å
617	S	75.5	Confident	76.5	Confident	95 Å²	95	47.5 Å²	47.5	66%	0.664	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.4	-175.6	52.1	0	0	0	0	115.5	D615	D615-S617 VanDerWaalsContact OD1-CB 3.24Å; D615-S617 WeakPolarHBondContact OD1-CB 3.39Å; D615-S617 PolarHBondContact OD1-N 2.94Å; D615-S617 VanDerWaalsContact OD1-N 3.12Å; D615-S617 PolarHBondContact OD1-OG 2.54Å
618	A	72.1	Confident	77.6	Confident	61 Å²	61	44.2 Å²	44.2	50%	0.504	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-4.4	176.9	0	0	0	0	0	114.3	L616 F647	L616-A618 PolarHBondContact O-N 3.11Å; A618-F647 HydrophobicContact CB-CB 4.37Å
619	M	76.6	Confident	78.6	Confident	21 Å²	21	40.2 Å²	40.2	10%	0.103	24%	0.244	C	C	.	.	S	Bend	trans	-89.7	147.8	-177.5	-170	-171.6	72.3	0	0	111.1	L571 L616 A621 S623 L626 F647	L571-M619 HydrophobicContact CD1-CE 4.2Å; L571-M619 HydrophobicContact CD2-CE 4.14Å; L571-M619 HydrophobicContact CD2-SD 4.1Å; L616-M619 HydrophobicContact CB-CE 4.48Å; L616-M619 HydrophobicContact CD2-SD 4.25Å; L616-M619 WeakPolarHBondContact O-CB 3.2Å; L616-M619 PolarHBondContact O-N 3.27Å; L616-M619 VanDerWaalsContact O-N 3.16Å; M619-A621 PolarHBondContact O-N 3.4Å; M619-A621 VanDerWaalsContact O-N 3.11Å; M619-S623 VanDerWaalsContact CE-O 3.29Å; M619-S623 WeakPolarHBondContact CE-O 3.5Å; M619-L626 HydrophobicContact SD-CD2 3.88Å; M619-F647 HydrophobicContact CB-CE2 4.48Å; M619-F647 HydrophobicContact CG-CE2 4.2Å
620	D	73.3	Confident	79.6	Confident	60 Å²	60	38 Å²	38	32%	0.321	22%	0.218	S	C	.	.			trans	-60.5	117	168.4	173.1	18	0	0	0	109.9	R539 D622 S623	R539-D620 IonicContact CZ-OD2 3.78Å; R539-D620 IonicContact NE-OD2 3.82Å; R539-D620 PolarHBondContact NE-OD2 3.11Å; R539-D620 IonicContact NH2-OD2 3.96Å; R539-D620 PolarHBondContact NH2-OD2 3Å; D620-D622 PolarHBondContact O-N 2.78Å; D620-D622 PolarHBondContact OD1-N 3.47Å; D620-S623 PolarHBondContact O-N 2.98Å; D620-S623 PolarHBondContact O-OG 3.37Å
621	A	67.9	Low	80.2	Confident	40 Å²	40	34.1 Å²	34.1	33%	0.331	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-23.8	-174.3	0	0	0	0	0	114.4	R598 M619	R598-A621 HydrophobicContact CG-CB 4.26Å; M619-A621 PolarHBondContact O-N 3.4Å; M619-A621 VanDerWaalsContact O-N 3.11Å
622	D	72	Confident	80.6	Confident	71 Å²	71	28.9 Å²	28.9	38%	0.38	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-1.6	-177.3	-60.9	-8.2	0	0	0	112.2	S596 R598 D620	S596-D622 VanDerWaalsContact CB-C 3.43Å; S596-D622 VanDerWaalsContact CB-O 3.28Å; S596-D622 WeakPolarHBondContact CB-O 3.31Å; S596-D622 PolarHBondContact OG-O 3.02Å; R598-D622 IonicContact CZ-OD1 3.34Å; R598-D622 IonicContact NE-OD1 2.62Å; R598-D622 IonicContact NH2-OD1 2.65Å; R598-D622 PolarHBondContact NH2-OD1 2.92Å; R598-D622 IonicContact NH2-OD2 3.69Å; D620-D622 PolarHBondContact O-N 2.78Å; D620-D622 PolarHBondContact OD1-N 3.47Å
623	S	78.9	Confident	80.7	Confident	14 Å²	14	29.9 Å²	29.9	10%	0.098	18%	0.181	C	C	.	.			trans	-105.4	144.8	176.8	76.2	0	0	0	0	113	M619 D620	M619-S623 VanDerWaalsContact CE-O 3.29Å; M619-S623 WeakPolarHBondContact CE-O 3.5Å; D620-S623 PolarHBondContact O-N 2.98Å; D620-S623 PolarHBondContact O-OG 3.37Å
624	P	82.1	Confident	81.1	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.162	C	C	.	.			trans	-107.6	13.3	179	40.8	-36.1	0	0	0	114.4	F537 E570 L571 C592	F537-P624 HydrophobicContact CE2-CG 4.24Å; F537-P624 HydrophobicContact CZ-CG 3.96Å; E570-P624 CarbonylContact C-O 3.57Å; E570-P624 VanDerWaalsContact CA-O 3.32Å; E570-P624 WeakPolarHBondContact CA-O 3.48Å; L571-P624 HydrophobicContact CD1-CB 4.1Å; L571-P624 HydrophobicContact CG-CB 4.29Å; L571-P624 PolarHBondContact N-O 3.18Å; C592-P624 HydrophobicContact CB-CG 4.36Å
625	L	86.4	Confident	81.3	Confident	7 Å²	7	27.7 Å²	27.7	4%	0.037	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	136.3	-171.7	-61.7	174.5	0	0	0	111.3	F535 F537 L544 V568 E570	F535-L625 HydrophobicContact CE2-CD1 4.36Å; F537-L625 HydrophobicContact CB-CD1 4.13Å; F537-L625 HydrophobicContact CD2-CD1 3.88Å; F537-L625 HydrophobicContact CD2-CG 4.47Å; F537-L625 HydrophobicContact CG-CD1 4.15Å; L544-L625 HydrophobicContact CB-CD1 4.4Å; L544-L625 HydrophobicContact CD1-CD1 3.9Å; L544-L625 HydrophobicContact CD2-CD1 4.3Å; L544-L625 HydrophobicContact CD2-CD2 4.26Å; L544-L625 HydrophobicContact CG-CD1 4.44Å; V568-L625 HydrophobicContact CG1-CD2 3.62Å; E570-L625 HydrophobicContact CG-CD2 4.33Å
626	L	86.3	Confident	81.7	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-55	179.4	-64.1	176.4	0	0	0	112.7	Q569 L571 I604 M614 L616 M619 M648 Y651	Q569-L626 HydrophobicContact CB-CB 4.33Å; Q569-L626 HydrophobicContact CG-CB 4.07Å; Q569-L626 HydrophobicContact CG-CD1 3.93Å; Q569-L626 PolarHBondContact O-N 3.22Å; L571-L626 HydrophobicContact CD2-CD2 4.15Å; L571-L626 HydrophobicContact CD2-CG 4.47Å; I604-L626 HydrophobicContact CD1-CD1 3.8Å; I604-L626 HydrophobicContact CG2-CD1 4.04Å; M614-L626 HydrophobicContact CE-CD1 3.77Å; M614-L626 HydrophobicContact CE-CD2 3.81Å; M614-L626 HydrophobicContact CE-CG 4.35Å; M614-L626 HydrophobicContact SD-CD1 3.82Å; L616-L626 HydrophobicContact CD2-CD2 3.96Å; M619-L626 HydrophobicContact SD-CD2 3.88Å; L626-M648 VanDerWaalsContact O-CB 3.31Å; L626-M648 WeakPolarHBondContact O-CB 3.35Å; L626-M648 WeakPolarHBondContact O-CG 3.13Å; L626-Y651 HydrophobicContact CD2-CD2 4.47Å
627	W	89.7	Confident	82.1	Confident	1 Å²	1	25.1 Å²	25.1	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	159.3	172.2	56.9	97.7	0	0	0	111.5	Q569 L606 M614 Q652 E656	Q569-W627 HydrophobicContact CB-CD2 3.89Å; Q569-W627 HydrophobicContact CB-CE3 4.48Å; Q569-W627 HydrophobicContact CB-CG 4.12Å; Q569-W627 HydrophobicContact CB-CZ2 4.21Å; Q569-W627 HydrophobicContact CG-CD2 4.12Å; Q569-W627 HydrophobicContact CG-CE3 4.33Å; Q569-W627 HydrophobicContact CG-CH2 3.95Å; Q569-W627 HydrophobicContact CG-CZ2 3.76Å; Q569-W627 HydrophobicContact CG-CZ3 4.22Å; Q569-W627 PolarHBondContact N-O 3.45Å; L606-W627 HydrophobicContact CD2-CH2 3.81Å; L606-W627 HydrophobicContact CD2-CZ2 4.04Å; M614-W627 HydrophobicContact CE-CZ3 4.03Å; M614-W627 HydrophobicContact SD-CZ3 4.43Å; W627-Q652 HydrophobicContact CB-CB 4.25Å; W627-Q652 HydrophobicContact CD2-CB 4.03Å; W627-Q652 HydrophobicContact CD2-CG 4.48Å; W627-Q652 HydrophobicContact CE3-CB 4.47Å; W627-Q652 HydrophobicContact CG-CB 3.93Å; W627-Q652 HydrophobicContact CG-CG 4.18Å; W627-E656 HydrophobicContact CZ2-CB 4.47Å; W627-E656 WeakPolarHBondContact CZ2-OE2 3.3Å; W627-E656 PolarHBondContact NE1-OE2 3.16Å
628	I	90.7	Very high	82.7	Confident	4 Å²	4	21.7 Å²	21.7	2%	0.021	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	130.7	177.7	-57.9	168.6	0	0	0	108.4	F535 L544 V566 F642 Q644	F535-I628 HydrophobicContact CB-CD1 4.18Å; F535-I628 HydrophobicContact CD1-CD1 4.03Å; F535-I628 HydrophobicContact CD2-CD1 3.92Å; F535-I628 HydrophobicContact CE1-CD1 4.43Å; F535-I628 HydrophobicContact CE2-CD1 4.32Å; F535-I628 HydrophobicContact CG-CD1 3.76Å; L544-I628 HydrophobicContact CD1-CD1 4.04Å; L544-I628 HydrophobicContact CD2-CD1 3.83Å; L544-I628 HydrophobicContact CD2-CG1 4.4Å; V566-I628 HydrophobicContact CG1-CG2 3.71Å; I628-F642 HydrophobicContact CB-CE1 4.25Å; I628-F642 HydrophobicContact CB-CZ 4.06Å; I628-F642 HydrophobicContact CD1-CE1 4.42Å; I628-F642 HydrophobicContact CD1-CZ 4.12Å; I628-F642 HydrophobicContact CG2-CE2 4.37Å; I628-F642 HydrophobicContact CG2-CZ 3.96Å; I628-Q644 PolarHBondContact O-NE2 2.78Å
629	R	88	Confident	83.6	Confident	17 Å²	17	22.6 Å²	22.6	6%	0.064	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.6	173	-75	-176.4	-69.1	-178.6	-14.9	110.6	V566 T567 M607 E656 D658	V566-R629 CarbonylContact C-O 3.5Å; V566-R629 WeakPolarHBondContact CA-O 3.27Å; T567-R629 PolarHBondContact N-O 2.99Å; T567-R629 PolarHBondContact O-N 3.16Å; M607-R629 PolarHBondContact SD-NH2 3.15Å; R629-E656 IonicContact CZ-OE1 2.9Å; R629-E656 IonicContact CZ-OE2 2.68Å; R629-E656 IonicContact NE-OE2 3.37Å; R629-E656 IonicContact NH1-OE1 2.69Å; R629-E656 PolarHBondContact NH1-OE1 3.36Å; R629-E656 IonicContact NH1-OE2 2.83Å; R629-E656 IonicContact NH2-OE1 3.44Å; R629-E656 PolarHBondContact NH2-OE1 3.4Å; R629-E656 IonicContact NH2-OE2 3.16Å; R629-E656 PolarHBondContact NH2-OE2 2.95Å; R629-D658 IonicContact NH1-OD2 3.5Å
630	I	89.4	Confident	84.2	Confident	13 Å²	13	23.5 Å²	23.5	7%	0.067	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128.1	166.5	-55.3	-175.4	0	0	0	108.3	I548 L564 V566 R638 V640 F642	I548-I630 HydrophobicContact CD1-CD1 4.41Å; L564-I630 HydrophobicContact CD1-CG2 4.34Å; L564-I630 HydrophobicContact CD2-CG2 3.39Å; L564-I630 HydrophobicContact CG-CG2 3.87Å; V566-I630 HydrophobicContact CG2-CG1 4.32Å; V566-I630 HydrophobicContact CG2-CG2 4.37Å; I630-R638 VanDerWaalsContact CG2-NH1 3.32Å; I630-R638 VanDerWaalsContact O-CZ 3.24Å; I630-R638 PolarHBondContact O-NH1 3.42Å; I630-R638 PolarHBondContact O-NH2 3.2Å; I630-V640 HydrophobicContact CB-CG1 4.5Å; I630-V640 HydrophobicContact CD1-CG1 4.4Å; I630-F642 HydrophobicContact CD1-CD2 3.6Å; I630-F642 HydrophobicContact CD1-CE2 3.76Å; I630-F642 HydrophobicContact CG1-CD2 4.04Å; I630-F642 HydrophobicContact CG1-CE2 4.06Å
631	D	87.1	Confident	84.9	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.			trans	42.6	67.2	176.3	164.5	59.4	0	0	0	114.8	L564 K565 D633 M634 S635 R638	L564-D631 HydrophobicContact CD1-CB 3.68Å; L564-D631 HydrophobicContact CG-CB 4.41Å; K565-D631 WeakPolarHBondContact O-CA 3.33Å; K565-D631 PolarHBondContact O-N 3.15Å; D631-D633 PolarHBondContact O-N 2.79Å; D631-M634 PolarHBondContact O-N 2.78Å; D631-M634 VanDerWaalsContact O-N 3.07Å; D631-M634 PolarHBondContact OD1-N 3.16Å; D631-M634 VanDerWaalsContact OD2-CA 3.26Å; D631-M634 WeakPolarHBondContact OD2-CA 3.23Å; D631-M634 PolarHBondContact OD2-N 2.66Å; D631-S635 VanDerWaalsContact CG-N 3.28Å; D631-S635 WeakPolarHBondContact OD1-CB 3.16Å; D631-S635 PolarHBondContact OD1-N 3.22Å; D631-S635 PolarHBondContact OD1-OG 2.9Å; D631-S635 PolarHBondContact OD2-N 3.48Å; D631-R638 VanDerWaalsContact CB-CZ 3.43Å; D631-R638 PolarHBondContact O-NH2 3.42Å; D631-R638 IonicContact OD2-CZ 2.81Å; D631-R638 IonicContact OD2-NE 3.45Å; D631-R638 PolarHBondContact OD2-NE 2.96Å; D631-R638 IonicContact OD2-NH2 2.87Å; D631-R638 PolarHBondContact OD2-NH2 2.59Å
632	P	83.9	Confident	85.9	Confident	18 Å²	18	22.9 Å²	22.9	12%	0.117	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-15.4	177.6	28.5	-37	0	0	0	113.5	R392 T567 M634	R392-P632 PolarHBondContact NH2-O 3.13Å; T567-P632 WeakPolarHBondContact OG1-CG 3.49Å; P632-M634 VanDerWaalsContact C-N 3.33Å
633	D	82.1	Confident	86.6	Confident	54 Å²	54	25.8 Å²	25.8	29%	0.289	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-10.2	176.5	-70.4	-35.6	0	0	0	113.9	R458 K565 D631 S635	R458-D633 VanDerWaalsContact CZ-O 3.26Å; R458-D633 PolarHBondContact NH1-O 3.37Å; R458-D633 PolarHBondContact NH2-O 3.48Å; K565-D633 WeakPolarHBondContact CD-OD2 3.27Å; K565-D633 WeakPolarHBondContact CE-OD2 3.46Å; K565-D633 IonicContact NZ-OD2 2.67Å; K565-D633 PolarHBondContact NZ-OD2 3.42Å; D631-D633 PolarHBondContact O-N 2.79Å; D633-S635 VanDerWaalsContact C-N 3.31Å; D633-S635 PolarHBondContact O-N 3.5Å
634	M	84.7	Confident	87	Confident	17 Å²	17	25.8 Å²	25.8	8%	0.084	13%	0.127	C	C	.	.			trans	53.6	47	-170.9	-55.6	-179.4	-70.9	0	0	111.7	I395 K396 R458 D631 P632 V636 V660	I395-M634 HydrophobicContact CB-CE 3.95Å; I395-M634 HydrophobicContact CG2-CE 3.54Å; I395-M634 HydrophobicContact CG2-SD 4.1Å; K396-M634 HydrophobicContact CB-SD 4.43Å; R458-M634 PolarHBondContact NH1-O 2.81Å; D631-M634 PolarHBondContact O-N 2.78Å; D631-M634 VanDerWaalsContact O-N 3.07Å; D631-M634 PolarHBondContact OD1-N 3.16Å; D631-M634 VanDerWaalsContact OD2-CA 3.26Å; D631-M634 WeakPolarHBondContact OD2-CA 3.23Å; D631-M634 PolarHBondContact OD2-N 2.66Å; P632-M634 VanDerWaalsContact C-N 3.33Å; M634-V636 VanDerWaalsContact C-N 3.31Å; M634-V636 PolarHBondContact O-N 3.38Å; M634-V660 HydrophobicContact CE-CG2 3.75Å; M634-V660 HydrophobicContact CG-CG1 4.4Å; M634-V660 HydrophobicContact SD-CB 4.5Å; M634-V660 HydrophobicContact SD-CG1 3.8Å; M634-V660 HydrophobicContact SD-CG2 3.92Å
635	S	82.7	Confident	87.2	Confident	29 Å²	29	27.8 Å²	27.8	20%	0.203	14%	0.144	C	C	.	.			trans	-88.9	11.2	-174.2	66	0	0	0	0	114.3	L459 D631 D633	L459-S635 WeakPolarHBondContact CD2-O 3.48Å; D631-S635 VanDerWaalsContact CG-N 3.28Å; D631-S635 WeakPolarHBondContact OD1-CB 3.16Å; D631-S635 PolarHBondContact OD1-N 3.22Å; D631-S635 PolarHBondContact OD1-OG 2.9Å; D631-S635 PolarHBondContact OD2-N 3.48Å; D633-S635 VanDerWaalsContact C-N 3.31Å; D633-S635 PolarHBondContact O-N 3.5Å
636	V	86.8	Confident	87.3	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.012	16%	0.155	C	C	.	.	S	Bend	trans	-143.9	142.3	179	179.2	0	0	0	0	108.8	W522 V529 F531 Y560 L564 M634 R638	W522-V636 HydrophobicContact CH2-CG1 3.66Å; W522-V636 HydrophobicContact CZ2-CG1 3.78Å; V529-V636 HydrophobicContact CB-CG1 4.42Å; V529-V636 HydrophobicContact CG2-CG1 4.26Å; F531-V636 HydrophobicContact CE2-CG1 4.2Å; Y560-V636 HydrophobicContact CD2-CG1 4.14Å; Y560-V636 HydrophobicContact CE2-CG1 4.12Å; Y560-V636 HydrophobicContact CE2-CG2 3.96Å; L564-V636 HydrophobicContact CD1-CG2 3.93Å; M634-V636 VanDerWaalsContact C-N 3.31Å; M634-V636 PolarHBondContact O-N 3.38Å; V636-R638 HydrophobicContact CB-CG 4.42Å; V636-R638 HydrophobicContact CG1-CB 4.12Å; V636-R638 PolarHBondContact O-N 2.79Å; V636-R638 VanDerWaalsContact O-N 3.14Å
637	L	87.7	Confident	87.3	Confident	4 Å²	4	31.7 Å²	31.7	2%	0.021	16%	0.163	C	C	.	.			trans	-75.9	100.3	169.1	-46.7	-178.2	0	0	0	108.7	L399 K452 L455 W522 V529	L399-L637 HydrophobicContact CD1-CB 4.3Å; L399-L637 HydrophobicContact CD1-CD2 4.33Å; K452-L637 HydrophobicContact CD-CD1 4.43Å; K452-L637 HydrophobicContact CG-CD1 4Å; L455-L637 HydrophobicContact CB-CD2 3.59Å; L455-L637 HydrophobicContact CD1-CD2 3.62Å; L455-L637 HydrophobicContact CG-CD2 4.27Å; W522-L637 HydrophobicContact CE3-CB 4.15Å; W522-L637 HydrophobicContact CE3-CD1 3.75Å; W522-L637 HydrophobicContact CE3-CG 3.88Å; W522-L637 HydrophobicContact CH2-CB 4.07Å; W522-L637 HydrophobicContact CH2-CG 4.46Å; W522-L637 HydrophobicContact CZ3-CB 3.56Å; W522-L637 HydrophobicContact CZ3-CD1 4.02Å; W522-L637 HydrophobicContact CZ3-CG 3.82Å; V529-L637 PolarHBondContact N-O 3.06Å
638	R	88.8	Confident	87.3	Confident	22 Å²	22	31.9 Å²	31.9	8%	0.083	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	153.7	-171	64.3	-174.4	173.9	109.2	21.6	114.3	V529 F531 I630 D631 V636 V640	V529-R638 HydrophobicContact CB-CB 4.31Å; V529-R638 CarbonylContact O-C 3.56Å; V529-R638 WeakPolarHBondContact O-CA 3.07Å; V529-R638 VanDerWaalsContact O-CB 3.22Å; V529-R638 WeakPolarHBondContact O-CB 3.44Å; F531-R638 HydrophobicContact CD2-CB 3.89Å; F531-R638 HydrophobicContact CD2-CG 4.37Å; F531-R638 HydrophobicContact CE2-CB 3.95Å; F531-R638 HydrophobicContact CE2-CG 4.48Å; I630-R638 VanDerWaalsContact CG2-NH1 3.32Å; I630-R638 VanDerWaalsContact O-CZ 3.24Å; I630-R638 PolarHBondContact O-NH1 3.42Å; I630-R638 PolarHBondContact O-NH2 3.2Å; D631-R638 VanDerWaalsContact CB-CZ 3.43Å; D631-R638 PolarHBondContact O-NH2 3.42Å; D631-R638 IonicContact OD2-CZ 2.81Å; D631-R638 IonicContact OD2-NE 3.45Å; D631-R638 PolarHBondContact OD2-NE 2.96Å; D631-R638 IonicContact OD2-NH2 2.87Å; D631-R638 PolarHBondContact OD2-NH2 2.59Å; V636-R638 HydrophobicContact CB-CG 4.42Å; V636-R638 HydrophobicContact CG1-CB 4.12Å; V636-R638 PolarHBondContact O-N 2.79Å; V636-R638 VanDerWaalsContact O-N 3.14Å; R638-V640 HydrophobicContact CG-CG2 4.09Å
639	K	90	Very high	87.2	Confident	81 Å²	81	32.9 Å²	32.9	35%	0.352	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	139.1	155.7	-164.3	-169.3	-178.2	-160.9	0	108.3	V403 L407 V528 V529 K530 F531 E641	V403-K639 HydrophobicContact CG1-CB 3.91Å; V403-K639 HydrophobicContact CG1-CD 4.21Å; V403-K639 HydrophobicContact CG1-CG 4.06Å; L407-K639 HydrophobicContact CD1-CD 4.28Å; V528-K639 HydrophobicContact CG1-CB 4.45Å; V529-K639 PolarHBondContact O-N 2.94Å; K530-K639 WeakPolarHBondContact CA-O 3.39Å; K530-K639 HydrophobicContact CG-CB 4.38Å; F531-K639 PolarHBondContact N-O 3.42Å; K639-E641 VanDerWaalsContact CE-OE1 3.3Å; K639-E641 WeakPolarHBondContact CE-OE1 3.43Å; K639-E641 IonicContact NZ-OE1 3.84Å; K639-E641 PolarHBondContact NZ-OE1 3.5Å
640	V	89.8	Confident	87.2	Confident	40 Å²	40	33 Å²	33	24%	0.242	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.2	-179.6	-160.3	0	0	0	0	108.4	I630 R638	I630-V640 HydrophobicContact CB-CG1 4.5Å; I630-V640 HydrophobicContact CD1-CG1 4.4Å; R638-V640 HydrophobicContact CG-CG2 4.09Å
641	E	88.3	Confident	87.2	Confident	58 Å²	58	33 Å²	33	27%	0.271	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	113.7	168.6	-65.7	-172.5	-146.9	0	0	106.8	F531 Y532 G533 K639	F531-E641 PolarHBondContact O-N 3.4Å; Y532-E641 CarbonylContact C-O 3.52Å; Y532-E641 WeakPolarHBondContact CA-O 3.15Å; Y532-E641 HydrophobicContact CD1-CB 3.77Å; Y532-E641 HydrophobicContact CE1-CB 3.71Å; Y532-E641 HydrophobicContact CE1-CG 4.16Å; G533-E641 PolarHBondContact N-O 2.71Å; K639-E641 VanDerWaalsContact CE-OE1 3.3Å; K639-E641 WeakPolarHBondContact CE-OE1 3.43Å; K639-E641 IonicContact NZ-OE1 3.84Å; K639-E641 PolarHBondContact NZ-OE1 3.5Å
642	F	88.9	Confident	87.3	Confident	28 Å²	28	33.2 Å²	33.2	12%	0.123	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.8	-172.1	-159.9	-82.1	0	0	0	110.7	G533 F535 L546 I628 I630 Q644	G533-F642 WeakPolarHBondContact O-CA 3.44Å; F535-F642 AromaticContact CD1-CE1 3.68Å; F535-F642 HydrophobicContact CD1-CE1 3.68Å; F535-F642 AromaticContact CD1-CZ 3.99Å; F535-F642 HydrophobicContact CD1-CZ 3.99Å; F535-F642 HydrophobicContact CE1-CE1 4.12Å; L546-F642 HydrophobicContact CD1-CE2 3.96Å; L546-F642 HydrophobicContact CD1-CZ 3.88Å; I628-F642 HydrophobicContact CB-CE1 4.25Å; I628-F642 HydrophobicContact CB-CZ 4.06Å; I628-F642 HydrophobicContact CD1-CE1 4.42Å; I628-F642 HydrophobicContact CD1-CZ 4.12Å; I628-F642 HydrophobicContact CG2-CE2 4.37Å; I628-F642 HydrophobicContact CG2-CZ 3.96Å; I630-F642 HydrophobicContact CD1-CD2 3.6Å; I630-F642 HydrophobicContact CD1-CE2 3.76Å; I630-F642 HydrophobicContact CG1-CD2 4.04Å; I630-F642 HydrophobicContact CG1-CE2 4.06Å; F642-Q644 HydrophobicContact CD1-CB 4.42Å; F642-Q644 HydrophobicContact CD1-CG 3.72Å; F642-Q644 HydrophobicContact CE1-CG 3.72Å; F642-Q644 VanDerWaalsContact CE1-NE2 3.3Å
643	E	86.5	Confident	87.5	Confident	132 Å²	132	32.3 Å²	32.3	62%	0.617	16%	0.163	S	C	*	.			trans	-87.6	117.5	178.7	-64.1	179.4	147.7	0	0	109.9	G533 S534 F535	G533-E643 PolarHBondContact O-N 2.76Å; S534-E643 VanDerWaalsContact CB-OE2 3.28Å; S534-E643 WeakPolarHBondContact CB-OE2 3.32Å; S534-E643 PolarHBondContact OG-OE2 3.27Å; F535-E643 WeakPolarHBondContact CD1-O 3.41Å; F535-E643 VanDerWaalsContact CE1-O 3.3Å; F535-E643 WeakPolarHBondContact CE1-O 3.28Å
644	Q	87.2	Confident	87.7	Confident	15 Å²	15	33.5 Å²	33.5	7%	0.07	16%	0.163	C	C	.	.			trans	-143.6	148.8	178.5	-98.3	176	67.3	0	0	109.8	F535 I628 F642 M648 W649	F535-Q644 HydrophobicContact CE1-CG 3.86Å; I628-Q644 PolarHBondContact O-NE2 2.78Å; F642-Q644 HydrophobicContact CD1-CB 4.42Å; F642-Q644 HydrophobicContact CD1-CG 3.72Å; F642-Q644 HydrophobicContact CE1-CG 3.72Å; F642-Q644 VanDerWaalsContact CE1-NE2 3.3Å; Q644-M648 HydrophobicContact CB-CB 4.3Å; Q644-M648 HydrophobicContact CB-SD 4.17Å; Q644-M648 HydrophobicContact CG-CB 4.32Å; Q644-M648 HydrophobicContact CG-CE 3.74Å; Q644-M648 HydrophobicContact CG-SD 3.79Å; Q644-W649 HydrophobicContact CB-CD2 4.46Å; Q644-W649 HydrophobicContact CB-CZ2 4.03Å
645	A	87.3	Confident	87.6	Confident	41 Å²	41	34.1 Å²	34.1	34%	0.339	17%	0.165	S	C	.	.			trans	-66.7	154.6	174	0	0	0	0	0	111.3	F647 M648	A645-F647 VanDerWaalsContact C-N 3.31Å; A645-F647 HydrophobicContact CB-CD1 3.66Å; A645-F647 HydrophobicContact CB-CE1 3.43Å; A645-F647 VanDerWaalsContact CB-CE1 3.43Å; A645-F647 HydrophobicContact CB-CZ 4.18Å; A645-F647 PolarHBondContact O-N 3.37Å; A645-M648 HydrophobicContact CB-CG 4.17Å; A645-M648 HydrophobicContact CB-SD 4.07Å; A645-M648 WeakPolarHBondContact O-CB 3.24Å; A645-M648 PolarHBondContact O-N 3.44Å
646	D	87.8	Confident	87.7	Confident	52 Å²	52	33 Å²	33	28%	0.278	16%	0.157	S	C	.	.	H	α-helix	trans	-60	-39.1	-174.3	75.1	-45.6	0	0	0	112.7	M648 W649 Q650 F672 T674	D646-M648 PolarHBondContact O-N 2.93Å; D646-W649 PolarHBondContact O-N 2.66Å; D646-Q650 VanDerWaalsContact O-CG 3.23Å; D646-Q650 WeakPolarHBondContact O-CG 3.46Å; D646-Q650 PolarHBondContact O-N 2.78Å; D646-Q650 PolarHBondContact O-NE2 2.77Å; D646-Q650 PolarHBondContact OD2-NE2 3.15Å; D646-F672 HydrophobicContact CB-CB 4.27Å; D646-F672 HydrophobicContact CB-CG 4.43Å; D646-T674 PolarHBondContact OD2-OG1 3.35Å
647	F	85.9	Confident	87.4	Confident	37 Å²	37	36.5 Å²	36.5	16%	0.162	17%	0.17	C	C	.	.	H	α-helix	trans	-61.3	-31	177	73.1	-99	0	0	0	113	A618 M619 A645 Q650 Y651	A618-F647 HydrophobicContact CB-CB 4.37Å; M619-F647 HydrophobicContact CB-CE2 4.48Å; M619-F647 HydrophobicContact CG-CE2 4.2Å; A645-F647 VanDerWaalsContact C-N 3.31Å; A645-F647 HydrophobicContact CB-CD1 3.66Å; A645-F647 HydrophobicContact CB-CE1 3.43Å; A645-F647 VanDerWaalsContact CB-CE1 3.43Å; A645-F647 HydrophobicContact CB-CZ 4.18Å; A645-F647 PolarHBondContact O-N 3.37Å; F647-Q650 PolarHBondContact O-N 3.25Å; F647-Y651 HydrophobicContact CB-CE2 4.41Å; F647-Y651 AromaticContact CD2-CD2 3.89Å; F647-Y651 HydrophobicContact CD2-CD2 3.89Å; F647-Y651 AromaticContact CD2-CE2 3.67Å; F647-Y651 HydrophobicContact CD2-CE2 3.67Å; F647-Y651 HydrophobicContact CE2-CE2 4.47Å; F647-Y651 HydrophobicContact CG-CE2 4.49Å; F647-Y651 WeakPolarHBondContact O-CB 3.41Å; F647-Y651 WeakPolarHBondContact O-CD2 3.21Å; F647-Y651 VanDerWaalsContact O-CG 3.29Å; F647-Y651 PolarHBondContact O-N 2.92Å
648	M	89.4	Confident	87.4	Confident	6 Å²	6	37.3 Å²	37.3	3%	0.03	17%	0.174	C	C	.	.	H	α-helix	trans	-69.1	-46.4	-179.6	-56.1	176.9	70.4	0	0	110.1	F535 L626 Q644 A645 D646 Q650 Y651 Q652	F535-M648 HydrophobicContact CE1-CE 4.23Å; F535-M648 HydrophobicContact CE1-SD 4.31Å; F535-M648 HydrophobicContact CE2-CE 4.45Å; F535-M648 HydrophobicContact CZ-CE 3.68Å; F535-M648 HydrophobicContact CZ-SD 3.76Å; L626-M648 VanDerWaalsContact O-CB 3.31Å; L626-M648 WeakPolarHBondContact O-CB 3.35Å; L626-M648 WeakPolarHBondContact O-CG 3.13Å; Q644-M648 HydrophobicContact CB-CB 4.3Å; Q644-M648 HydrophobicContact CB-SD 4.17Å; Q644-M648 HydrophobicContact CG-CB 4.32Å; Q644-M648 HydrophobicContact CG-CE 3.74Å; Q644-M648 HydrophobicContact CG-SD 3.79Å; A645-M648 HydrophobicContact CB-CG 4.17Å; A645-M648 HydrophobicContact CB-SD 4.07Å; A645-M648 WeakPolarHBondContact O-CB 3.24Å; A645-M648 PolarHBondContact O-N 3.44Å; D646-M648 PolarHBondContact O-N 2.93Å; M648-Q650 VanDerWaalsContact C-N 3.33Å; M648-Q650 PolarHBondContact O-N 3.1Å; M648-Y651 PolarHBondContact O-N 3.31Å; M648-Q652 WeakPolarHBondContact O-CB 3.44Å; M648-Q652 PolarHBondContact O-N 3.13Å
649	W	90.3	Very high	87.4	Confident	25 Å²	25	36.3 Å²	36.3	10%	0.095	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-35.6	172.9	-64.2	116.7	0	0	0	112.8	Q644 D646 L653 A668 L669	Q644-W649 HydrophobicContact CB-CD2 4.46Å; Q644-W649 HydrophobicContact CB-CZ2 4.03Å; D646-W649 PolarHBondContact O-N 2.66Å; W649-L653 VanDerWaalsContact O-CB 3.28Å; W649-L653 WeakPolarHBondContact O-CB 3.33Å; W649-L653 PolarHBondContact O-N 2.9Å; W649-A668 HydrophobicContact CD2-CB 3.62Å; W649-A668 HydrophobicContact CE3-CB 3.96Å; W649-A668 HydrophobicContact CG-CB 4.07Å; W649-A668 HydrophobicContact CH2-CB 4.17Å; W649-A668 HydrophobicContact CZ2-CB 3.88Å; W649-A668 HydrophobicContact CZ3-CB 4.21Å; W649-L669 HydrophobicContact CB-CD1 4.44Å; W649-L669 HydrophobicContact CB-CD2 3.7Å; W649-L669 HydrophobicContact CB-CG 3.89Å
650	Q	87.9	Confident	87.4	Confident	18 Å²	18	33.1 Å²	33.1	8%	0.084	16%	0.158	C	C	.	.	H	α-helix	trans	-66.4	-43.3	174.9	-69.8	159.9	36.5	0	0	112.1	D646 F647 M648 R654 L669 T674 A680	D646-Q650 VanDerWaalsContact O-CG 3.23Å; D646-Q650 WeakPolarHBondContact O-CG 3.46Å; D646-Q650 PolarHBondContact O-N 2.78Å; D646-Q650 PolarHBondContact O-NE2 2.77Å; D646-Q650 PolarHBondContact OD2-NE2 3.15Å; F647-Q650 PolarHBondContact O-N 3.25Å; M648-Q650 VanDerWaalsContact C-N 3.33Å; M648-Q650 PolarHBondContact O-N 3.1Å; Q650-R654 WeakPolarHBondContact O-CB 3.42Å; Q650-R654 VanDerWaalsContact O-CG 3.28Å; Q650-R654 WeakPolarHBondContact O-CG 3.43Å; Q650-R654 PolarHBondContact O-N 3.15Å; Q650-L669 HydrophobicContact CG-CD2 4.05Å; Q650-T674 PolarHBondContact NE2-OG1 3.47Å; Q650-A680 HydrophobicContact CB-CB 4.29Å; Q650-A680 HydrophobicContact CG-CB 4.29Å
651	Y	88.1	Confident	87.3	Confident	14 Å²	14	31.5 Å²	31.5	6%	0.055	15%	0.149	C	C	.	.	H	α-helix	trans	-68.4	-43.2	175.9	-67.6	-38.9	0	0	0	112	M614 D615 L626 F647 M648 L653 R654 Y655	M614-Y651 HydrophobicContact CE-CD1 4.03Å; M614-Y651 HydrophobicContact CE-CD2 4.21Å; M614-Y651 HydrophobicContact CE-CE1 4.45Å; M614-Y651 HydrophobicContact CE-CG 3.88Å; D615-Y651 WeakPolarHBondContact O-CE1 3.47Å; D615-Y651 PolarHBondContact O-OH 2.9Å; L626-Y651 HydrophobicContact CD2-CD2 4.47Å; F647-Y651 HydrophobicContact CB-CE2 4.41Å; F647-Y651 AromaticContact CD2-CD2 3.89Å; F647-Y651 HydrophobicContact CD2-CD2 3.89Å; F647-Y651 AromaticContact CD2-CE2 3.67Å; F647-Y651 HydrophobicContact CD2-CE2 3.67Å; F647-Y651 HydrophobicContact CE2-CE2 4.47Å; F647-Y651 HydrophobicContact CG-CE2 4.49Å; F647-Y651 WeakPolarHBondContact O-CB 3.41Å; F647-Y651 WeakPolarHBondContact O-CD2 3.21Å; F647-Y651 VanDerWaalsContact O-CG 3.29Å; F647-Y651 PolarHBondContact O-N 2.92Å; M648-Y651 PolarHBondContact O-N 3.31Å; Y651-L653 VanDerWaalsContact C-N 3.34Å; Y651-L653 PolarHBondContact O-N 3.45Å; Y651-R654 PolarHBondContact O-N 3.3Å; Y651-Y655 HydrophobicContact CD1-CD2 4.27Å; Y651-Y655 AromaticContact CD1-CE2 3.78Å; Y651-Y655 HydrophobicContact CD1-CE2 3.78Å; Y651-Y655 HydrophobicContact CE1-CE2 4.44Å; Y651-Y655 WeakPolarHBondContact O-CB 3.17Å; Y651-Y655 WeakPolarHBondContact O-CD2 3.34Å; Y651-Y655 PolarHBondContact O-N 3.32Å
652	Q	89	Confident	87.4	Confident	4 Å²	4	29.1 Å²	29.1	2%	0.019	14%	0.137	C	C	.	.	H	α-helix	trans	-56.9	-48.5	173.6	-174.1	176	-57.9	0	0	110.3	W627 M648 R654 E656 A661 S665	W627-Q652 HydrophobicContact CB-CB 4.25Å; W627-Q652 HydrophobicContact CD2-CB 4.03Å; W627-Q652 HydrophobicContact CD2-CG 4.48Å; W627-Q652 HydrophobicContact CE3-CB 4.47Å; W627-Q652 HydrophobicContact CG-CB 3.93Å; W627-Q652 HydrophobicContact CG-CG 4.18Å; M648-Q652 WeakPolarHBondContact O-CB 3.44Å; M648-Q652 PolarHBondContact O-N 3.13Å; Q652-R654 PolarHBondContact O-N 2.77Å; Q652-E656 HydrophobicContact CG-CB 4.08Å; Q652-E656 HydrophobicContact CG-CG 4.48Å; Q652-E656 WeakPolarHBondContact O-CB 3.49Å; Q652-E656 PolarHBondContact O-N 2.87Å; Q652-A661 HydrophobicContact CG-CB 4.47Å; Q652-A661 PolarHBondContact NE2-O 3.42Å; Q652-S665 VanDerWaalsContact CD-OG 3.31Å; Q652-S665 WeakPolarHBondContact CG-OG 3.48Å; Q652-S665 PolarHBondContact NE2-OG 3.06Å
653	L	89	Confident	87.4	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.7	-44.2	177.4	177	56.6	0	0	0	113.2	W649 Y651 Q662 I666 L669 L681 I684	W649-L653 VanDerWaalsContact O-CB 3.28Å; W649-L653 WeakPolarHBondContact O-CB 3.33Å; W649-L653 PolarHBondContact O-N 2.9Å; Y651-L653 VanDerWaalsContact C-N 3.34Å; Y651-L653 PolarHBondContact O-N 3.45Å; L653-Q662 HydrophobicContact CD1-CB 4.21Å; L653-Q662 HydrophobicContact CD1-CG 4.44Å; L653-I666 HydrophobicContact CD1-CD1 4Å; L653-I666 HydrophobicContact CD1-CG1 3.76Å; L653-I666 HydrophobicContact CD2-CG1 4.09Å; L653-L669 HydrophobicContact CB-CD1 4.38Å; L653-L669 HydrophobicContact CD2-CD1 3.64Å; L653-L681 HydrophobicContact CD2-CD2 3.76Å; L653-L681 HydrophobicContact CD2-CG 4.13Å; L653-I684 HydrophobicContact CD1-CG1 4.07Å; L653-I684 HydrophobicContact CG-CG1 3.99Å; L653-I684 VanDerWaalsContact O-CD1 3.31Å; L653-I684 WeakPolarHBondContact O-CD1 3.48Å
654	R	84.9	Confident	87.5	Confident	78 Å²	78	25.1 Å²	25.1	29%	0.294	12%	0.119	S	C	.	.	H	α-helix	trans	-75.4	-29.6	-174.4	-71.6	174.4	85.9	-141.2	5.1	114.3	Q650 Y651 Q652 A680 D683	Q650-R654 WeakPolarHBondContact O-CB 3.42Å; Q650-R654 VanDerWaalsContact O-CG 3.28Å; Q650-R654 WeakPolarHBondContact O-CG 3.43Å; Q650-R654 PolarHBondContact O-N 3.15Å; Y651-R654 PolarHBondContact O-N 3.3Å; Q652-R654 PolarHBondContact O-N 2.77Å; R654-A680 HydrophobicContact CG-CB 3.81Å; R654-D683 IonicContact CZ-OD2 3.21Å; R654-D683 IonicContact NE-OD2 2.93Å; R654-D683 PolarHBondContact NE-OD2 3Å; R654-D683 IonicContact NH2-OD2 3.34Å; R654-D683 PolarHBondContact NH2-OD2 3.29Å
655	Y	83.9	Confident	87.7	Confident	30 Å²	30	24.4 Å²	24.4	12%	0.118	12%	0.116	C	C	.	.	H	α-helix	trans	-120	-30.9	-168.4	-58.9	-56.9	0	0	0	114.3	L606 V612 M614 Y651 R657	L606-Y655 WeakPolarHBondContact CD1-O 3.39Å; V612-Y655 HydrophobicContact CG1-CD1 3.62Å; V612-Y655 HydrophobicContact CG1-CE1 3.63Å; M614-Y655 HydrophobicContact CB-CE2 4.37Å; M614-Y655 HydrophobicContact CE-CD2 3.75Å; M614-Y655 HydrophobicContact CE-CE2 3.79Å; M614-Y655 HydrophobicContact CG-CD2 3.95Å; M614-Y655 HydrophobicContact CG-CE1 4.41Å; M614-Y655 HydrophobicContact CG-CE2 3.69Å; M614-Y655 HydrophobicContact CG-CG 4.41Å; M614-Y655 HydrophobicContact SD-CD2 3.93Å; M614-Y655 HydrophobicContact SD-CE2 4.17Å; M614-Y655 HydrophobicContact SD-CG 4.48Å; Y651-Y655 HydrophobicContact CD1-CD2 4.27Å; Y651-Y655 AromaticContact CD1-CE2 3.78Å; Y651-Y655 HydrophobicContact CD1-CE2 3.78Å; Y651-Y655 HydrophobicContact CE1-CE2 4.44Å; Y651-Y655 WeakPolarHBondContact O-CB 3.17Å; Y651-Y655 WeakPolarHBondContact O-CD2 3.34Å; Y651-Y655 PolarHBondContact O-N 3.32Å; Y655-R657 PolarHBondContact O-N 3Å
656	E	83.4	Confident	87.9	Confident	6 Å²	6	22.5 Å²	22.5	3%	0.028	10%	0.1	C	C	.	.			trans	-65.9	134.7	175.9	-167	64.8	-132	0	0	110.1	W627 R629 Q652 D658 A661 Q662	W627-E656 HydrophobicContact CZ2-CB 4.47Å; W627-E656 WeakPolarHBondContact CZ2-OE2 3.3Å; W627-E656 PolarHBondContact NE1-OE2 3.16Å; R629-E656 IonicContact CZ-OE1 2.9Å; R629-E656 IonicContact CZ-OE2 2.68Å; R629-E656 IonicContact NE-OE2 3.37Å; R629-E656 IonicContact NH1-OE1 2.69Å; R629-E656 PolarHBondContact NH1-OE1 3.36Å; R629-E656 IonicContact NH1-OE2 2.83Å; R629-E656 IonicContact NH2-OE1 3.44Å; R629-E656 PolarHBondContact NH2-OE1 3.4Å; R629-E656 IonicContact NH2-OE2 3.16Å; R629-E656 PolarHBondContact NH2-OE2 2.95Å; Q652-E656 HydrophobicContact CG-CB 4.08Å; Q652-E656 HydrophobicContact CG-CG 4.48Å; Q652-E656 WeakPolarHBondContact O-CB 3.49Å; Q652-E656 PolarHBondContact O-N 2.87Å; E656-D658 HydrophobicContact CG-CB 4.07Å; E656-A661 HydrophobicContact CG-CB 3.73Å; E656-Q662 PolarHBondContact O-NE2 2.88Å
657	R	82.4	Confident	87.9	Confident	75 Å²	75	24 Å²	24	28%	0.283	11%	0.107	S	C	.	.			trans	-94.1	-8	178.9	-55.5	-55.6	-156.4	160.5	15	113.6	N608 E610 Y655 V659	N608-R657 WeakPolarHBondContact ND2-CB 3.45Å; N608-R657 WeakPolarHBondContact ND2-CG 3.23Å; E610-R657 IonicContact OE1-NH2 2.78Å; E610-R657 IonicContact OE2-CZ 2.71Å; E610-R657 IonicContact OE2-NE 3.5Å; E610-R657 PolarHBondContact OE2-NE 3.38Å; E610-R657 IonicContact OE2-NH2 3.27Å; E610-R657 PolarHBondContact OE2-NH2 3.5Å; Y655-R657 PolarHBondContact O-N 3Å; R657-V659 PolarHBondContact O-N 3.41Å
658	D	86.3	Confident	88	Confident	21 Å²	21	22.8 Å²	22.8	11%	0.112	11%	0.105	C	C	.	.			trans	-75.8	115	177.9	-179.3	9.6	0	0	0	111.4	R392 R629 E656 V660 A661 Q662	R392-D658 IonicContact CZ-OD1 3.59Å; R392-D658 IonicContact NH1-OD1 3.29Å; R392-D658 PolarHBondContact NH1-OD1 3.16Å; R392-D658 IonicContact NH1-OD2 2.65Å; R392-D658 PolarHBondContact NH1-OD2 2.94Å; R629-D658 IonicContact NH1-OD2 3.5Å; E656-D658 HydrophobicContact CG-CB 4.07Å; D658-V660 PolarHBondContact O-N 3.48Å; D658-V660 PolarHBondContact OD1-N 2.87Å; D658-V660 VanDerWaalsContact OD1-N 3.08Å; D658-A661 HydrophobicContact CB-CB 4Å; D658-A661 PolarHBondContact O-N 3.46Å; D658-A661 VanDerWaalsContact O-N 3.12Å; D658-Q662 WeakPolarHBondContact O-CG 3.44Å; D658-Q662 PolarHBondContact O-N 3.01Å
659	V	89.6	Confident	87.9	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-53.2	-37.8	178.1	170.9	0	0	0	0	112.8	N389 H393 R657 Q662 Q663 F691 V694	N389-V659 HydrophobicContact CB-CG2 3.89Å; H393-V659 HydrophobicContact CB-CG1 4.16Å; R657-V659 PolarHBondContact O-N 3.41Å; V659-Q662 PolarHBondContact O-N 3.48Å; V659-Q663 WeakPolarHBondContact O-CB 3.37Å; V659-Q663 WeakPolarHBondContact O-CG 3.47Å; V659-Q663 PolarHBondContact O-N 3.24Å; V659-F691 HydrophobicContact CB-CD1 4.32Å; V659-F691 HydrophobicContact CG1-CD1 3.57Å; V659-F691 HydrophobicContact CG1-CE1 3.92Å; V659-F691 HydrophobicContact CG2-CB 3.69Å; V659-F691 HydrophobicContact CG2-CD1 3.7Å; V659-F691 HydrophobicContact CG2-CG 3.85Å; V659-V694 HydrophobicContact CB-CG2 4.46Å; V659-V694 HydrophobicContact CG1-CG2 3.93Å; V659-V694 HydrophobicContact CG2-CG2 4.42Å
660	V	89.3	Confident	87.7	Confident	15 Å²	15	24 Å²	24	9%	0.091	11%	0.111	C	C	.	.	H	α-helix	trans	-66.6	-47.8	-179.7	-176.9	0	0	0	0	109.7	R392 K396 M634 D658 Q662 Q663 E664	R392-V660 HydrophobicContact CB-CG2 4.01Å; K396-V660 HydrophobicContact CD-CG1 4.43Å; K396-V660 HydrophobicContact CG-CG1 4.46Å; M634-V660 HydrophobicContact CE-CG2 3.75Å; M634-V660 HydrophobicContact CG-CG1 4.4Å; M634-V660 HydrophobicContact SD-CB 4.5Å; M634-V660 HydrophobicContact SD-CG1 3.8Å; M634-V660 HydrophobicContact SD-CG2 3.92Å; D658-V660 PolarHBondContact O-N 3.48Å; D658-V660 PolarHBondContact OD1-N 2.87Å; D658-V660 VanDerWaalsContact OD1-N 3.08Å; V660-Q662 PolarHBondContact O-N 3.35Å; V660-Q663 PolarHBondContact O-N 3.13Å; V660-E664 WeakPolarHBondContact O-CG 3.32Å; V660-E664 PolarHBondContact O-N 2.64Å
661	A	88.4	Confident	87.5	Confident	6 Å²	6	30.4 Å²	30.4	5%	0.05	14%	0.139	C	C	.	.	H	α-helix	trans	-63.6	-39.8	177.9	0	0	0	0	0	112.4	Q652 E656 D658 S665	Q652-A661 HydrophobicContact CG-CB 4.47Å; Q652-A661 PolarHBondContact NE2-O 3.42Å; E656-A661 HydrophobicContact CG-CB 3.73Å; D658-A661 HydrophobicContact CB-CB 4Å; D658-A661 PolarHBondContact O-N 3.46Å; D658-A661 VanDerWaalsContact O-N 3.12Å; A661-S665 PolarHBondContact O-N 3.35Å; A661-S665 PolarHBondContact O-OG 3.33Å
662	Q	90.3	Very high	87.3	Confident	7 Å²	7	33.6 Å²	33.6	3%	0.033	15%	0.153	C	C	.	.	H	α-helix	trans	-62.2	-44.6	174	-71.9	179.5	-18.8	0	0	111.6	L653 E656 D658 V659 V660 S665 I666 V694	L653-Q662 HydrophobicContact CD1-CB 4.21Å; L653-Q662 HydrophobicContact CD1-CG 4.44Å; E656-Q662 PolarHBondContact O-NE2 2.88Å; D658-Q662 WeakPolarHBondContact O-CG 3.44Å; D658-Q662 PolarHBondContact O-N 3.01Å; V659-Q662 PolarHBondContact O-N 3.48Å; V660-Q662 PolarHBondContact O-N 3.35Å; Q662-S665 PolarHBondContact O-N 3.2Å; Q662-I666 VanDerWaalsContact O-CG1 3.31Å; Q662-I666 WeakPolarHBondContact O-CG1 3.42Å; Q662-I666 PolarHBondContact O-N 3.34Å; Q662-V694 HydrophobicContact CB-CG1 3.93Å; Q662-V694 HydrophobicContact CB-CG2 4.19Å
663	Q	89.4	Confident	87	Confident	14 Å²	14	36 Å²	36	7%	0.065	17%	0.169	C	C	.	.	H	α-helix	trans	-69.8	-36.6	179.5	-72.5	-179.1	-29.4	0	0	112.8	H393 V659 V660 I666 L667 V694	H393-Q663 PolarHBondContact CE1-NE2 3.09Å; H393-Q663 PolarHBondContact ND1-NE2 2.78Å; H393-Q663 VanDerWaalsContact ND1-NE2 3.12Å; H393-Q663 PolarHBondContact ND1-OE1 3.39Å; V659-Q663 WeakPolarHBondContact O-CB 3.37Å; V659-Q663 WeakPolarHBondContact O-CG 3.47Å; V659-Q663 PolarHBondContact O-N 3.24Å; V660-Q663 PolarHBondContact O-N 3.13Å; Q663-I666 PolarHBondContact O-N 3.27Å; Q663-L667 WeakPolarHBondContact O-CG 3.28Å; Q663-L667 PolarHBondContact O-N 3.22Å; Q663-L667 VanDerWaalsContact O-N 3.08Å; Q663-V694 HydrophobicContact CG-CG2 4.02Å
664	E	87.9	Confident	86.7	Confident	63 Å²	63	37.5 Å²	37.5	29%	0.294	18%	0.178	S	C	.	.	H	α-helix	trans	-62.8	-43.5	170	-73.6	-60.8	92.9	0	0	111.6	K396 V660 I666 L667 A668	K396-E664 WeakPolarHBondContact CE-OE1 3.44Å; K396-E664 IonicContact NZ-OE1 3.44Å; K396-E664 PolarHBondContact NZ-OE1 3.3Å; V660-E664 WeakPolarHBondContact O-CG 3.32Å; V660-E664 PolarHBondContact O-N 2.64Å; E664-I666 VanDerWaalsContact C-N 3.32Å; E664-I666 PolarHBondContact O-N 3.03Å; E664-L667 PolarHBondContact O-N 3.3Å; E664-A668 WeakPolarHBondContact O-CB 3.45Å; E664-A668 PolarHBondContact O-N 3.49Å
665	S	90.6	Very high	86.6	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-40.6	174.2	-56.5	0	0	0	0	112.3	Q652 A661 Q662 A668 L669	Q652-S665 VanDerWaalsContact CD-OG 3.31Å; Q652-S665 WeakPolarHBondContact CG-OG 3.48Å; Q652-S665 PolarHBondContact NE2-OG 3.06Å; A661-S665 PolarHBondContact O-N 3.35Å; A661-S665 PolarHBondContact O-OG 3.33Å; Q662-S665 PolarHBondContact O-N 3.2Å; S665-A668 PolarHBondContact O-N 2.9Å; S665-L669 VanDerWaalsContact O-CB 3.31Å; S665-L669 WeakPolarHBondContact O-CB 3.37Å; S665-L669 WeakPolarHBondContact O-CG 3.21Å; S665-L669 PolarHBondContact O-N 3.4Å
666	I	91.3	Very high	86.4	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-61.9	-46.1	177	-72.2	168	0	0	0	111	L653 Q662 Q663 E664 A668 L669 E670 L681 V694 S697 A698 C701	L653-I666 HydrophobicContact CD1-CD1 4Å; L653-I666 HydrophobicContact CD1-CG1 3.76Å; L653-I666 HydrophobicContact CD2-CG1 4.09Å; Q662-I666 VanDerWaalsContact O-CG1 3.31Å; Q662-I666 WeakPolarHBondContact O-CG1 3.42Å; Q662-I666 PolarHBondContact O-N 3.34Å; Q663-I666 PolarHBondContact O-N 3.27Å; E664-I666 VanDerWaalsContact C-N 3.32Å; E664-I666 PolarHBondContact O-N 3.03Å; I666-A668 VanDerWaalsContact C-N 3.35Å; I666-L669 PolarHBondContact O-N 3.28Å; I666-E670 PolarHBondContact O-N 2.87Å; I666-L681 HydrophobicContact CG1-CD2 4.15Å; I666-V694 HydrophobicContact CD1-CG1 3.69Å; I666-S697 WeakPolarHBondContact CD1-OG 3.38Å; I666-A698 HydrophobicContact CD1-CB 4.08Å; I666-C701 HydrophobicContact CG2-CB 3.51Å; I666-C701 PolarHBondContact O-SG 3.16Å; I666-C701 VanDerWaalsContact O-SG 3.38Å
667	L	88.8	Confident	86.5	Confident	82 Å²	82	38.2 Å²	38.2	43%	0.429	20%	0.2	S	C	.	.	H	α-helix	trans	-68.2	-31.6	178	-67.2	172.2	0	0	0	112.9	Q663 E664	Q663-L667 WeakPolarHBondContact O-CG 3.28Å; Q663-L667 PolarHBondContact O-N 3.22Å; Q663-L667 VanDerWaalsContact O-N 3.08Å; E664-L667 PolarHBondContact O-N 3.3Å
668	A	87.6	Confident	86.5	Confident	13 Å²	13	37.1 Å²	37.1	11%	0.107	20%	0.197	C	C	.	.	H	α-helix	trans	-70.5	-42	172.2	0	0	0	0	0	111.8	W649 E664 S665 I666 E670 K671 F672	W649-A668 HydrophobicContact CD2-CB 3.62Å; W649-A668 HydrophobicContact CE3-CB 3.96Å; W649-A668 HydrophobicContact CG-CB 4.07Å; W649-A668 HydrophobicContact CH2-CB 4.17Å; W649-A668 HydrophobicContact CZ2-CB 3.88Å; W649-A668 HydrophobicContact CZ3-CB 4.21Å; E664-A668 WeakPolarHBondContact O-CB 3.45Å; E664-A668 PolarHBondContact O-N 3.49Å; S665-A668 PolarHBondContact O-N 2.9Å; I666-A668 VanDerWaalsContact C-N 3.35Å; A668-E670 VanDerWaalsContact C-N 3.27Å; A668-E670 PolarHBondContact O-N 2.93Å; A668-K671 WeakPolarHBondContact O-CB 3.3Å; A668-K671 PolarHBondContact O-N 3.38Å; A668-F672 WeakPolarHBondContact O-CD2 3.33Å
669	L	88.1	Confident	86.3	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.9	-21.3	179.6	-71.9	171.1	0	0	0	113.5	W649 Q650 L653 S665 I666 K671 F672	W649-L669 HydrophobicContact CB-CD1 4.44Å; W649-L669 HydrophobicContact CB-CD2 3.7Å; W649-L669 HydrophobicContact CB-CG 3.89Å; Q650-L669 HydrophobicContact CG-CD2 4.05Å; L653-L669 HydrophobicContact CB-CD1 4.38Å; L653-L669 HydrophobicContact CD2-CD1 3.64Å; S665-L669 VanDerWaalsContact O-CB 3.31Å; S665-L669 WeakPolarHBondContact O-CB 3.37Å; S665-L669 WeakPolarHBondContact O-CG 3.21Å; S665-L669 PolarHBondContact O-N 3.4Å; I666-L669 PolarHBondContact O-N 3.28Å; L669-K671 PolarHBondContact O-N 3.29Å; L669-K671 VanDerWaalsContact O-N 3.12Å; L669-F672 CarbonylContact O-C 3.45Å; L669-F672 PolarHBondContact O-N 2.71Å
670	E	85.9	Confident	86.1	Confident	57 Å²	57	40.5 Å²	40.5	27%	0.266	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-22.1	168.1	-69.5	-172.6	177.7	0	0	113	I666 A668 C701 K704	I666-E670 PolarHBondContact O-N 2.87Å; A668-E670 VanDerWaalsContact C-N 3.27Å; A668-E670 PolarHBondContact O-N 2.93Å; E670-C701 HydrophobicContact CG-CB 3.99Å; E670-C701 VanDerWaalsContact CG-SG 3.52Å; E670-K704 HydrophobicContact CG-CD 3.94Å; E670-K704 WeakPolarHBondContact OE1-CD 3.42Å; E670-K704 IonicContact OE1-NZ 3.26Å; E670-K704 PolarHBondContact OE1-NZ 3.11Å; E670-K704 WeakPolarHBondContact OE2-CD 3.38Å; E670-K704 IonicContact OE2-NZ 3.18Å; E670-K704 PolarHBondContact OE2-NZ 3.28Å
671	K	84.1	Confident	86	Confident	152 Å²	152	39.8 Å²	39.8	66%	0.661	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-13.4	174.8	-53.4	-179.5	-177.8	-179.8	0	113.6	A668 L669 P673	A668-K671 WeakPolarHBondContact O-CB 3.3Å; A668-K671 PolarHBondContact O-N 3.38Å; L669-K671 PolarHBondContact O-N 3.29Å; L669-K671 VanDerWaalsContact O-N 3.12Å; K671-P673 WeakPolarHBondContact O-CD 3.35Å
672	F	83.9	Confident	85.9	Confident	80 Å²	80	40.6 Å²	40.6	35%	0.351	21%	0.214	S	C	.	.			trans	-127.7	78.6	-169.2	-60.8	-66.6	0	0	0	111.8	D646 A668 L669 T674 S677	D646-F672 HydrophobicContact CB-CB 4.27Å; D646-F672 HydrophobicContact CB-CG 4.43Å; A668-F672 WeakPolarHBondContact O-CD2 3.33Å; L669-F672 CarbonylContact O-C 3.45Å; L669-F672 PolarHBondContact O-N 2.71Å; F672-T674 PolarHBondContact O-N 3.4Å; F672-S677 PolarHBondContact O-OG 3.47Å
673	P	81.7	Confident	85.7	Confident	56 Å²	56	42.7 Å²	42.7	36%	0.364	23%	0.226	S	C	.	.			trans	-74	97	178.1	30.1	-33.9	0	0	0	111	K671 I705 S708 M709	K671-P673 WeakPolarHBondContact O-CD 3.35Å; P673-I705 HydrophobicContact CB-CG2 4.19Å; P673-S708 WeakPolarHBondContact CB-OG 3.49Å; P673-M709 HydrophobicContact CB-CG 3.88Å
674	T	83.5	Confident	85.6	Confident	31 Å²	31	42 Å²	42	19%	0.19	22%	0.222	C	C	.	.			trans	-129.1	153.8	178.3	76.6	0	0	0	0	111.2	D646 Q650 F672 A676 S677 R678	D646-T674 PolarHBondContact OD2-OG1 3.35Å; Q650-T674 PolarHBondContact NE2-OG1 3.47Å; F672-T674 PolarHBondContact O-N 3.4Å; T674-A676 PolarHBondContact O-N 2.96Å; T674-A676 VanDerWaalsContact O-N 3.14Å; T674-S677 PolarHBondContact N-OG 3.35Å; T674-S677 VanDerWaalsContact N-OG 3.14Å; T674-S677 PolarHBondContact O-N 3.23Å; T674-S677 PolarHBondContact O-OG 2.95Å; T674-S677 VanDerWaalsContact O-OG 3.05Å; T674-S677 PolarHBondContact OG1-N 2.84Å; T674-S677 VanDerWaalsContact OG1-N 3.12Å; T674-S677 PolarHBondContact OG1-OG 3.37Å; T674-R678 PolarHBondContact O-N 3.36Å; T674-R678 VanDerWaalsContact O-N 3.1Å
675	P	81.8	Confident	85.4	Confident	88 Å²	88	39 Å²	39	57%	0.571	21%	0.209	S	C	*	.	H	α-helix	trans	-57.4	-29.4	175.2	-23.5	32.5	0	0	0	113	L679 M709	P675-L679 WeakPolarHBondContact O-CG 3.1Å; P675-L679 PolarHBondContact O-N 3.15Å; P675-M709 HydrophobicContact CB-CE 4.41Å; P675-M709 HydrophobicContact CG-CE 3.8Å
676	A	81	Confident	85.1	Confident	40 Å²	40	42.5 Å²	42.5	33%	0.331	23%	0.225	S	C	.	.	H	α-helix	trans	-77.3	-40.1	179.4	0	0	0	0	0	112.5	T674 R678 L679 A680	T674-A676 PolarHBondContact O-N 2.96Å; T674-A676 VanDerWaalsContact O-N 3.14Å; A676-R678 VanDerWaalsContact C-N 3.33Å; A676-R678 PolarHBondContact O-N 2.85Å; A676-L679 PolarHBondContact O-N 3.14Å; A676-A680 WeakPolarHBondContact O-CB 3.49Å; A676-A680 PolarHBondContact O-N 2.87Å
677	S	84	Confident	84.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-38.1	172.4	65.3	0	0	0	0	111.9	F672 T674 L679 A680 L681	F672-S677 PolarHBondContact O-OG 3.47Å; T674-S677 PolarHBondContact N-OG 3.35Å; T674-S677 VanDerWaalsContact N-OG 3.14Å; T674-S677 PolarHBondContact O-N 3.23Å; T674-S677 PolarHBondContact O-OG 2.95Å; T674-S677 VanDerWaalsContact O-OG 3.05Å; T674-S677 PolarHBondContact OG1-N 2.84Å; T674-S677 VanDerWaalsContact OG1-N 3.12Å; T674-S677 PolarHBondContact OG1-OG 3.37Å; S677-L679 PolarHBondContact O-N 3.34Å; S677-A680 PolarHBondContact O-N 3.31Å; S677-L681 WeakPolarHBondContact O-CD1 3.35Å; S677-L681 WeakPolarHBondContact O-CG 3.22Å; S677-L681 PolarHBondContact O-N 3.05Å
678	R	82.8	Confident	84.3	Confident	53 Å²	53	48.9 Å²	48.9	20%	0.2	25%	0.252	C	S	.	.	H	α-helix	trans	-57.9	-43.5	171.4	-162.4	-162.3	74.5	84.1	6.1	112.9	T674 A676 T682 L702 W713	T674-R678 PolarHBondContact O-N 3.36Å; T674-R678 VanDerWaalsContact O-N 3.1Å; A676-R678 VanDerWaalsContact C-N 3.33Å; A676-R678 PolarHBondContact O-N 2.85Å; R678-T682 PolarHBondContact O-N 2.97Å; R678-T682 VanDerWaalsContact O-N 3.11Å; R678-T682 PolarHBondContact O-OG1 3.49Å; R678-L702 HydrophobicContact CG-CD1 3.61Å; R678-W713 HydrophobicContact CG-CZ3 4.45Å
679	L	83	Confident	83.9	Confident	91 Å²	91	55.8 Å²	55.8	48%	0.476	28%	0.282	S	S	.	.	H	α-helix	trans	-68.4	-45	176.8	-72.5	171.2	0	0	0	111.6	P675 A676 S677 L681 T682 D683	P675-L679 WeakPolarHBondContact O-CG 3.1Å; P675-L679 PolarHBondContact O-N 3.15Å; A676-L679 PolarHBondContact O-N 3.14Å; S677-L679 PolarHBondContact O-N 3.34Å; L679-L681 VanDerWaalsContact C-N 3.31Å; L679-L681 PolarHBondContact O-N 3.46Å; L679-T682 WeakPolarHBondContact O-CB 3.49Å; L679-T682 PolarHBondContact O-N 3.2Å; L679-D683 PolarHBondContact O-N 2.97Å
680	A	85.2	Confident	83.7	Confident	2 Å²	2	56 Å²	56	2%	0.017	28%	0.284	C	S	.	.	H	α-helix	trans	-57.1	-41.6	176.7	0	0	0	0	0	113	Q650 R654 A676 S677 I684	Q650-A680 HydrophobicContact CB-CB 4.29Å; Q650-A680 HydrophobicContact CG-CB 4.29Å; R654-A680 HydrophobicContact CG-CB 3.81Å; A676-A680 WeakPolarHBondContact O-CB 3.49Å; A676-A680 PolarHBondContact O-N 2.87Å; S677-A680 PolarHBondContact O-N 3.31Å; A680-I684 WeakPolarHBondContact O-CG1 3.35Å; A680-I684 PolarHBondContact O-N 3.3Å
681	L	86.3	Confident	83.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-68.1	-36.2	174.8	-72.6	161	0	0	0	112.4	L653 I666 S677 L679 L685 A698 C701 I705	L653-L681 HydrophobicContact CD2-CD2 3.76Å; L653-L681 HydrophobicContact CD2-CG 4.13Å; I666-L681 HydrophobicContact CG1-CD2 4.15Å; S677-L681 WeakPolarHBondContact O-CD1 3.35Å; S677-L681 WeakPolarHBondContact O-CG 3.22Å; S677-L681 PolarHBondContact O-N 3.05Å; L679-L681 VanDerWaalsContact C-N 3.31Å; L679-L681 PolarHBondContact O-N 3.46Å; L681-L685 WeakPolarHBondContact O-CB 3.3Å; L681-L685 PolarHBondContact O-N 2.71Å; L681-L685 VanDerWaalsContact O-N 3.13Å; L681-A698 HydrophobicContact CD2-CB 3.78Å; L681-C701 HydrophobicContact CD1-CB 4.42Å; L681-C701 HydrophobicContact CD2-CB 4.28Å; L681-I705 HydrophobicContact CD1-CD1 3.48Å; L681-I705 VanDerWaalsContact CD1-CD1 3.48Å
682	T	86.8	Confident	83.9	Confident	22 Å²	22	49 Å²	49	14%	0.135	25%	0.252	C	S	.	.	H	α-helix	trans	-66.5	-45.9	176.4	-54.2	0	0	0	0	110.8	R678 L679 I684 L685 E686 L722	R678-T682 PolarHBondContact O-N 2.97Å; R678-T682 VanDerWaalsContact O-N 3.11Å; R678-T682 PolarHBondContact O-OG1 3.49Å; L679-T682 WeakPolarHBondContact O-CB 3.49Å; L679-T682 PolarHBondContact O-N 3.2Å; T682-I684 VanDerWaalsContact C-N 3.33Å; T682-I684 PolarHBondContact O-N 2.97Å; T682-L685 WeakPolarHBondContact O-CB 3.33Å; T682-L685 PolarHBondContact O-N 2.82Å; T682-L685 VanDerWaalsContact O-N 3.1Å; T682-E686 WeakPolarHBondContact CG2-OE1 3.24Å; T682-E686 PolarHBondContact O-N 2.65Å; T682-E686 VanDerWaalsContact O-N 3.13Å; T682-L722 HydrophobicContact CG2-CD2 4.46Å
683	D	85.9	Confident	84.1	Confident	51 Å²	51	49 Å²	49	27%	0.273	25%	0.249	S	C	.	.	H	α-helix	trans	-55.9	-45.2	175.5	-73.6	-4.8	0	0	0	112	R654 L679 L685 E686 Q687	R654-D683 IonicContact CZ-OD2 3.21Å; R654-D683 IonicContact NE-OD2 2.93Å; R654-D683 PolarHBondContact NE-OD2 3Å; R654-D683 IonicContact NH2-OD2 3.34Å; R654-D683 PolarHBondContact NH2-OD2 3.29Å; L679-D683 PolarHBondContact O-N 2.97Å; D683-L685 VanDerWaalsContact C-N 3.28Å; D683-L685 PolarHBondContact O-N 3.27Å; D683-E686 PolarHBondContact O-N 2.99Å; D683-Q687 VanDerWaalsContact O-CG 3.27Å; D683-Q687 WeakPolarHBondContact O-CG 3.43Å; D683-Q687 PolarHBondContact O-N 3.35Å; D683-Q687 VanDerWaalsContact O-N 3.14Å; D683-Q687 PolarHBondContact O-NE2 3.14Å
684	I	86.3	Confident	84.5	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-68	-30.4	179.4	-73.7	-67	0	0	0	112	L653 A680 T682 Q687 C690 V694 R695	L653-I684 HydrophobicContact CD1-CG1 4.07Å; L653-I684 HydrophobicContact CG-CG1 3.99Å; L653-I684 VanDerWaalsContact O-CD1 3.31Å; L653-I684 WeakPolarHBondContact O-CD1 3.48Å; A680-I684 WeakPolarHBondContact O-CG1 3.35Å; A680-I684 PolarHBondContact O-N 3.3Å; T682-I684 VanDerWaalsContact C-N 3.33Å; T682-I684 PolarHBondContact O-N 2.97Å; I684-Q687 PolarHBondContact O-N 3.04Å; I684-C690 VanDerWaalsContact CD1-SG 3.6Å; I684-C690 HydrophobicContact CG2-CB 4.46Å; I684-V694 HydrophobicContact CG2-CG1 4.1Å; I684-R695 HydrophobicContact CG2-CG 4.44Å; I684-R695 WeakPolarHBondContact O-CD 3.5Å; I684-R695 WeakPolarHBondContact O-CG 3.42Å
685	L	84.8	Confident	84.8	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-72.8	-33	179.3	-162.2	47.7	0	0	0	112.3	L681 T682 D683 R695 C699 L722 L749	L681-L685 WeakPolarHBondContact O-CB 3.3Å; L681-L685 PolarHBondContact O-N 2.71Å; L681-L685 VanDerWaalsContact O-N 3.13Å; T682-L685 WeakPolarHBondContact O-CB 3.33Å; T682-L685 PolarHBondContact O-N 2.82Å; T682-L685 VanDerWaalsContact O-N 3.1Å; D683-L685 VanDerWaalsContact C-N 3.28Å; D683-L685 PolarHBondContact O-N 3.27Å; L685-R695 HydrophobicContact CD1-CB 3.76Å; L685-R695 HydrophobicContact CD1-CG 4.13Å; L685-R695 WeakPolarHBondContact O-CD 3.28Å; L685-C699 VanDerWaalsContact CD1-SG 3.6Å; L685-L722 HydrophobicContact CB-CD2 4.25Å; L685-L722 HydrophobicContact CD2-CD2 3.55Å; L685-L722 HydrophobicContact CG-CD2 3.92Å; L685-L749 HydrophobicContact CD1-CD1 3.38Å; L685-L749 HydrophobicContact CD1-CD2 4.47Å; L685-L749 HydrophobicContact CG-CD1 4.32Å
686	E	84.5	Confident	85.2	Confident	72 Å²	72	43.2 Å²	43.2	34%	0.336	21%	0.208	S	C	.	.	H	α-helix	trans	-78.9	-22.5	174.1	-67.4	-179.9	-147.4	0	0	113.8	T682 D683 E688 L722 R725	T682-E686 WeakPolarHBondContact CG2-OE1 3.24Å; T682-E686 PolarHBondContact O-N 2.65Å; T682-E686 VanDerWaalsContact O-N 3.13Å; D683-E686 PolarHBondContact O-N 2.99Å; E686-E688 PolarHBondContact O-N 2.94Å; E686-E688 VanDerWaalsContact O-N 3.1Å; E686-L722 HydrophobicContact CG-CD1 3.55Å; E686-R725 VanDerWaalsContact CD-NH2 3.33Å; E686-R725 IonicContact OE1-CZ 3.54Å; E686-R725 IonicContact OE1-NH1 3.4Å; E686-R725 PolarHBondContact OE1-NH1 2.81Å; E686-R725 IonicContact OE1-NH2 2.7Å; E686-R725 PolarHBondContact OE1-NH2 3.05Å; E686-R725 IonicContact OE2-CZ 3.52Å; E686-R725 IonicContact OE2-NH1 3.41Å; E686-R725 PolarHBondContact OE2-NH1 2.96Å; E686-R725 IonicContact OE2-NH2 2.73Å
687	Q	84.4	Confident	85.5	Confident	58 Å²	58	42.8 Å²	42.8	27%	0.271	20%	0.202	S	C	.	.			trans	-73.4	101	-178.2	-82.7	173	64.1	0	0	112.8	D683 I684 Q689 C690 R695	D683-Q687 VanDerWaalsContact O-CG 3.27Å; D683-Q687 WeakPolarHBondContact O-CG 3.43Å; D683-Q687 PolarHBondContact O-N 3.35Å; D683-Q687 VanDerWaalsContact O-N 3.14Å; D683-Q687 PolarHBondContact O-NE2 3.14Å; I684-Q687 PolarHBondContact O-N 3.04Å; Q687-Q689 PolarHBondContact O-N 3.29Å; Q687-C690 HydrophobicContact CB-CB 4.31Å; Q687-C690 PolarHBondContact O-N 3.27Å; Q687-R695 PolarHBondContact O-NE 3.35Å; Q687-R695 PolarHBondContact O-NH2 3.35Å
688	E	77.8	Confident	85.8	Confident	159 Å²	159	42.8 Å²	42.8	74%	0.743	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-16.7	175.7	-67.6	-169.8	169	0	0	114.8	E686 R695 Q745	E686-E688 PolarHBondContact O-N 2.94Å; E686-E688 VanDerWaalsContact O-N 3.1Å; E688-R695 PolarHBondContact O-NH2 2.93Å; E688-Q745 PolarHBondContact O-OE1 3.35Å
689	Q	80.8	Confident	86	Confident	158 Å²	158	40.3 Å²	40.3	74%	0.738	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-17.3	175	-66.2	-178	-13.8	0	0	113.9	Q687	Q687-Q689 PolarHBondContact O-N 3.29Å
690	C	82.4	Confident	86.3	Confident	5 Å²	5	39 Å²	39	3%	0.034	18%	0.184	C	C	.	.	S	Bend	trans	-77.2	142.2	-176.7	-72.6	0	0	0	0	112.1	I684 Q687 Y692 R695	I684-C690 VanDerWaalsContact CD1-SG 3.6Å; I684-C690 HydrophobicContact CG2-CB 4.46Å; Q687-C690 HydrophobicContact CB-CB 4.31Å; Q687-C690 PolarHBondContact O-N 3.27Å; C690-Y692 PolarHBondContact O-N 3.49Å; C690-R695 HydrophobicContact CB-CG 4.33Å; C690-R695 PolarHBondContact O-NE 3.29Å; C690-R695 PolarHBondContact O-NH2 2.94Å
691	F	86.9	Confident	86.4	Confident	25 Å²	25	38.9 Å²	38.9	11%	0.11	18%	0.183	C	C	.	.			trans	-58.4	136.1	-177.8	-179.4	-122.7	0	0	0	111.9	N389 E390 H393 V659 R693 V694 R695	N389-F691 HydrophobicContact CB-CD2 3.91Å; N389-F691 HydrophobicContact CB-CE2 4.08Å; N389-F691 HydrophobicContact CB-CG 4.26Å; E390-F691 HydrophobicContact CB-CZ 4.36Å; E390-F691 VanDerWaalsContact OE2-CZ 3.26Å; E390-F691 WeakPolarHBondContact OE2-CZ 3.31Å; H393-F691 HydrophobicContact CB-CE1 4Å; V659-F691 HydrophobicContact CB-CD1 4.32Å; V659-F691 HydrophobicContact CG1-CD1 3.57Å; V659-F691 HydrophobicContact CG1-CE1 3.92Å; V659-F691 HydrophobicContact CG2-CB 3.69Å; V659-F691 HydrophobicContact CG2-CD1 3.7Å; V659-F691 HydrophobicContact CG2-CG 3.85Å; F691-R693 VanDerWaalsContact C-N 3.35Å; F691-R693 HydrophobicContact CD1-CB 4.03Å; F691-R693 HydrophobicContact CE1-CB 3.63Å; F691-R693 HydrophobicContact CE1-CG 3.8Å; F691-R693 HydrophobicContact CZ-CB 4.31Å; F691-R693 HydrophobicContact CZ-CG 3.99Å; F691-R693 PolarHBondContact O-N 2.97Å; F691-V694 HydrophobicContact CB-CG2 4.17Å; F691-V694 HydrophobicContact CD1-CG2 4.11Å; F691-V694 WeakPolarHBondContact O-CB 3.1Å; F691-V694 PolarHBondContact O-N 3.43Å; F691-R695 PolarHBondContact O-N 2.89Å
692	Y	87.7	Confident	86.4	Confident	38 Å²	38	39.1 Å²	39.1	15%	0.149	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-40.3	-167.7	69.9	-81.6	0	0	0	112.8	E390 C690 V694 R695 M696 F748	E390-Y692 VanDerWaalsContact CD-OH 3.24Å; E390-Y692 PolarHBondContact OE1-OH 3.45Å; E390-Y692 VanDerWaalsContact OE2-CE1 3.26Å; E390-Y692 WeakPolarHBondContact OE2-CE1 3.49Å; E390-Y692 VanDerWaalsContact OE2-CZ 3.31Å; E390-Y692 PolarHBondContact OE2-OH 3.05Å; C690-Y692 PolarHBondContact O-N 3.49Å; Y692-V694 VanDerWaalsContact C-N 3.29Å; Y692-V694 PolarHBondContact O-N 3.41Å; Y692-R695 WeakPolarHBondContact O-CB 3.45Å; Y692-R695 PolarHBondContact O-N 2.96Å; Y692-R695 VanDerWaalsContact O-N 3.13Å; Y692-M696 HydrophobicContact CD2-SD 3.92Å; Y692-M696 HydrophobicContact CE2-SD 4.32Å; Y692-M696 WeakPolarHBondContact O-CG 3.36Å; Y692-M696 PolarHBondContact O-N 2.93Å; Y692-F748 HydrophobicContact CD2-CB 3.8Å; Y692-F748 AromaticContact CD2-CD2 3.35Å; Y692-F748 HydrophobicContact CD2-CD2 3.35Å; Y692-F748 HydrophobicContact CD2-CE2 4.09Å; Y692-F748 AromaticContact CD2-CG 3.74Å; Y692-F748 HydrophobicContact CD2-CG 3.74Å; Y692-F748 HydrophobicContact CE2-CB 4.48Å; Y692-F748 AromaticContact CE2-CD2 3.47Å; Y692-F748 HydrophobicContact CE2-CD2 3.47Å; Y692-F748 VanDerWaalsContact CE2-CD2 3.47Å; Y692-F748 AromaticContact CE2-CE2 3.74Å; Y692-F748 HydrophobicContact CE2-CE2 3.74Å; Y692-F748 AromaticContact CE2-CG 3.97Å; Y692-F748 HydrophobicContact CE2-CG 3.97Å; Y692-F748 HydrophobicContact CE2-CZ 4.44Å; Y692-F748 HydrophobicContact CG-CD2 4.06Å
693	R	88.6	Confident	86.3	Confident	78 Å²	78	38.1 Å²	38.1	29%	0.294	18%	0.178	S	C	.	.	H	α-helix	trans	-66.4	-27.4	176.4	-56.2	-174.2	-180	-99.5	5.1	113.7	E390 H393 F691 M696 S697	E390-R693 IonicContact OE1-CZ 2.62Å; E390-R693 IonicContact OE1-NE 3.99Å; E390-R693 PolarHBondContact OE1-NE 3.03Å; E390-R693 IonicContact OE1-NH2 3.58Å; E390-R693 PolarHBondContact OE1-NH2 3.25Å; E390-R693 IonicContact OE2-NE 3.73Å; H393-R693 WeakPolarHBondContact CD2-CD 3.21Å; H393-R693 WeakPolarHBondContact NE2-CD 3.46Å; F691-R693 VanDerWaalsContact C-N 3.35Å; F691-R693 HydrophobicContact CD1-CB 4.03Å; F691-R693 HydrophobicContact CE1-CB 3.63Å; F691-R693 HydrophobicContact CE1-CG 3.8Å; F691-R693 HydrophobicContact CZ-CB 4.31Å; F691-R693 HydrophobicContact CZ-CG 3.99Å; F691-R693 PolarHBondContact O-N 2.97Å; R693-M696 HydrophobicContact CG-SD 4.35Å; R693-M696 PolarHBondContact O-N 2.96Å; R693-S697 PolarHBondContact O-N 3.47Å; R693-S697 PolarHBondContact O-OG 3.24Å; R693-S697 VanDerWaalsContact O-OG 3.1Å
694	V	90.3	Very high	86.3	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.3	-44.8	172	175.3	0	0	0	0	109.5	V659 Q662 Q663 I666 I684 F691 Y692 M696 S697 A698	V659-V694 HydrophobicContact CB-CG2 4.46Å; V659-V694 HydrophobicContact CG1-CG2 3.93Å; V659-V694 HydrophobicContact CG2-CG2 4.42Å; Q662-V694 HydrophobicContact CB-CG1 3.93Å; Q662-V694 HydrophobicContact CB-CG2 4.19Å; Q663-V694 HydrophobicContact CG-CG2 4.02Å; I666-V694 HydrophobicContact CD1-CG1 3.69Å; I684-V694 HydrophobicContact CG2-CG1 4.1Å; F691-V694 HydrophobicContact CB-CG2 4.17Å; F691-V694 HydrophobicContact CD1-CG2 4.11Å; F691-V694 WeakPolarHBondContact O-CB 3.1Å; F691-V694 PolarHBondContact O-N 3.43Å; Y692-V694 VanDerWaalsContact C-N 3.29Å; Y692-V694 PolarHBondContact O-N 3.41Å; V694-M696 VanDerWaalsContact C-N 3.34Å; V694-M696 PolarHBondContact O-N 2.72Å; V694-S697 WeakPolarHBondContact CA-OG 3.47Å; V694-S697 PolarHBondContact O-N 2.61Å; V694-S697 PolarHBondContact O-OG 3.04Å; V694-A698 WeakPolarHBondContact O-CB 3.47Å; V694-A698 PolarHBondContact O-N 3.02Å
695	R	89.7	Confident	86.2	Confident	12 Å²	12	40.5 Å²	40.5	5%	0.045	19%	0.186	C	C	.	.	H	α-helix	trans	-62.4	-37.9	174.5	-72.7	-169.2	-99.9	170.2	-4.4	112.5	I684 L685 Q687 E688 C690 F691 Y692 A698 C699	I684-R695 HydrophobicContact CG2-CG 4.44Å; I684-R695 WeakPolarHBondContact O-CD 3.5Å; I684-R695 WeakPolarHBondContact O-CG 3.42Å; L685-R695 HydrophobicContact CD1-CB 3.76Å; L685-R695 HydrophobicContact CD1-CG 4.13Å; L685-R695 WeakPolarHBondContact O-CD 3.28Å; Q687-R695 PolarHBondContact O-NE 3.35Å; Q687-R695 PolarHBondContact O-NH2 3.35Å; E688-R695 PolarHBondContact O-NH2 2.93Å; C690-R695 HydrophobicContact CB-CG 4.33Å; C690-R695 PolarHBondContact O-NE 3.29Å; C690-R695 PolarHBondContact O-NH2 2.94Å; F691-R695 PolarHBondContact O-N 2.89Å; Y692-R695 WeakPolarHBondContact O-CB 3.45Å; Y692-R695 PolarHBondContact O-N 2.96Å; Y692-R695 VanDerWaalsContact O-N 3.13Å; R695-A698 PolarHBondContact O-N 3.44Å; R695-C699 PolarHBondContact O-N 3.26Å; R695-C699 PolarHBondContact O-SG 3.31Å
696	M	89.3	Confident	86.1	Confident	43 Å²	43	40.6 Å²	40.6	21%	0.212	19%	0.187	C	C	.	.	H	α-helix	trans	-60.3	-50.7	171.6	-63.3	168.9	70.6	0	0	111.7	Y692 R693 V694 A698 C699 F700 F748 T752	Y692-M696 HydrophobicContact CD2-SD 3.92Å; Y692-M696 HydrophobicContact CE2-SD 4.32Å; Y692-M696 WeakPolarHBondContact O-CG 3.36Å; Y692-M696 PolarHBondContact O-N 2.93Å; R693-M696 HydrophobicContact CG-SD 4.35Å; R693-M696 PolarHBondContact O-N 2.96Å; V694-M696 VanDerWaalsContact C-N 3.34Å; V694-M696 PolarHBondContact O-N 2.72Å; M696-A698 VanDerWaalsContact C-N 3.3Å; M696-A698 PolarHBondContact O-N 2.95Å; M696-C699 WeakPolarHBondContact O-CB 3.3Å; M696-C699 PolarHBondContact O-N 2.75Å; M696-F700 WeakPolarHBondContact O-CD2 3.35Å; M696-F700 PolarHBondContact O-N 2.9Å; M696-F748 HydrophobicContact SD-CB 4.12Å; M696-T752 HydrophobicContact CB-CG2 4.08Å; M696-T752 WeakPolarHBondContact CE-OG1 3.48Å; M696-T752 HydrophobicContact CG-CG2 4.26Å; M696-T752 WeakPolarHBondContact CG-OG1 3.4Å
697	S	88.1	Confident	85.9	Confident	30 Å²	30	39.8 Å²	39.8	21%	0.21	19%	0.185	C	C	.	.	H	α-helix	trans	-63.4	-33.9	175.7	49.7	0	0	0	0	113.1	I666 R693 V694 C699 F700 C701	I666-S697 WeakPolarHBondContact CD1-OG 3.38Å; R693-S697 PolarHBondContact O-N 3.47Å; R693-S697 PolarHBondContact O-OG 3.24Å; R693-S697 VanDerWaalsContact O-OG 3.1Å; V694-S697 WeakPolarHBondContact CA-OG 3.47Å; V694-S697 PolarHBondContact O-N 2.61Å; V694-S697 PolarHBondContact O-OG 3.04Å; S697-C699 VanDerWaalsContact C-N 3.35Å; S697-C699 PolarHBondContact O-N 3.46Å; S697-F700 PolarHBondContact O-N 3.04Å; S697-C701 WeakPolarHBondContact O-CB 3.26Å; S697-C701 PolarHBondContact O-N 3.44Å
698	A	89.6	Confident	85.8	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-66.5	-34.9	176.2	0	0	0	0	0	112.1	I666 L681 V694 R695 M696 L702	I666-A698 HydrophobicContact CD1-CB 4.08Å; L681-A698 HydrophobicContact CD2-CB 3.78Å; V694-A698 WeakPolarHBondContact O-CB 3.47Å; V694-A698 PolarHBondContact O-N 3.02Å; R695-A698 PolarHBondContact O-N 3.44Å; M696-A698 VanDerWaalsContact C-N 3.3Å; M696-A698 PolarHBondContact O-N 2.95Å; A698-L702 WeakPolarHBondContact O-CB 3.46Å; A698-L702 PolarHBondContact O-N 3.48Å
699	C	88.6	Confident	85.7	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.4	-48.2	171.8	-66.6	0	0	0	0	111.7	L685 R695 M696 S697 L702 A703 T752 A756	L685-C699 VanDerWaalsContact CD1-SG 3.6Å; R695-C699 PolarHBondContact O-N 3.26Å; R695-C699 PolarHBondContact O-SG 3.31Å; M696-C699 WeakPolarHBondContact O-CB 3.3Å; M696-C699 PolarHBondContact O-N 2.75Å; S697-C699 VanDerWaalsContact C-N 3.35Å; S697-C699 PolarHBondContact O-N 3.46Å; C699-L702 PolarHBondContact O-N 2.95Å; C699-A703 PolarHBondContact O-N 2.83Å; C699-A703 VanDerWaalsContact O-N 3.09Å; C699-T752 HydrophobicContact CB-CG2 4.37Å; C699-A756 HydrophobicContact CB-CB 3.65Å
700	F	89.1	Confident	85.2	Confident	64 Å²	64	26.9 Å²	26.9	28%	0.281	13%	0.133	S	C	.	.	H	α-helix	trans	-68.4	-39.4	-179	-66.8	-61.3	0	0	0	112.7	M696 S697 A703 K704 T752 V755 A756 L759	M696-F700 WeakPolarHBondContact O-CD2 3.35Å; M696-F700 PolarHBondContact O-N 2.9Å; S697-F700 PolarHBondContact O-N 3.04Å; F700-A703 PolarHBondContact O-N 2.89Å; F700-K704 WeakPolarHBondContact O-CG 3.32Å; F700-K704 PolarHBondContact O-N 3.29Å; F700-K704 VanDerWaalsContact O-N 3.11Å; F700-T752 HydrophobicContact CD2-CG2 4.34Å; F700-T752 HydrophobicContact CE1-CG2 4.46Å; F700-T752 HydrophobicContact CE2-CG2 3.55Å; F700-T752 HydrophobicContact CZ-CG2 3.63Å; F700-V755 HydrophobicContact CE1-CB 4.46Å; F700-V755 HydrophobicContact CE1-CG1 4.14Å; F700-V755 HydrophobicContact CZ-CG1 4.5Å; F700-A756 HydrophobicContact CD1-CB 4.14Å; F700-A756 HydrophobicContact CE1-CB 4.35Å; F700-L759 HydrophobicContact CD1-CD1 3.86Å; F700-L759 HydrophobicContact CE1-CD1 4.13Å
701	C	86.3	Confident	84.5	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.3	-41.7	173.9	179.9	0	0	0	0	111.8	I666 E670 L681 S697 A703 K704 I705	I666-C701 HydrophobicContact CG2-CB 3.51Å; I666-C701 PolarHBondContact O-SG 3.16Å; I666-C701 VanDerWaalsContact O-SG 3.38Å; E670-C701 HydrophobicContact CG-CB 3.99Å; E670-C701 VanDerWaalsContact CG-SG 3.52Å; L681-C701 HydrophobicContact CD1-CB 4.42Å; L681-C701 HydrophobicContact CD2-CB 4.28Å; S697-C701 WeakPolarHBondContact O-CB 3.26Å; S697-C701 PolarHBondContact O-N 3.44Å; C701-A703 VanDerWaalsContact C-N 3.3Å; C701-A703 PolarHBondContact O-N 3.02Å; C701-K704 PolarHBondContact O-N 2.82Å; C701-I705 WeakPolarHBondContact O-CG1 3.03Å; C701-I705 PolarHBondContact O-N 3.49Å
702	L	86.6	Confident	83.5	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-59.3	-39.2	174.4	179.9	62.2	0	0	0	112.2	R678 A698 C699 A706 M719	R678-L702 HydrophobicContact CG-CD1 3.61Å; A698-L702 WeakPolarHBondContact O-CB 3.46Å; A698-L702 PolarHBondContact O-N 3.48Å; C699-L702 PolarHBondContact O-N 2.95Å; L702-A706 WeakPolarHBondContact O-CB 3.31Å; L702-A706 PolarHBondContact O-N 3.41Å; L702-M719 HydrophobicContact CD2-CE 4.35Å; L702-M719 HydrophobicContact CD2-CG 3.89Å; L702-M719 HydrophobicContact CD2-SD 4.17Å; L702-M719 HydrophobicContact CG-CG 4.44Å; L702-M719 HydrophobicContact CG-SD 4.24Å
703	A	84.4	Confident	82.2	Confident	2 Å²	2	36.3 Å²	36.3	2%	0.017	20%	0.197	C	C	.	.	H	α-helix	trans	-66.9	-41.8	175.1	0	0	0	0	0	112.7	C699 F700 C701 A706 N707 A756 L759 L760	C699-A703 PolarHBondContact O-N 2.83Å; C699-A703 VanDerWaalsContact O-N 3.09Å; F700-A703 PolarHBondContact O-N 2.89Å; C701-A703 VanDerWaalsContact C-N 3.3Å; C701-A703 PolarHBondContact O-N 3.02Å; A703-A706 WeakPolarHBondContact O-CB 3.42Å; A703-A706 PolarHBondContact O-N 2.84Å; A703-N707 PolarHBondContact O-N 3.49Å; A703-N707 PolarHBondContact O-OD1 2.95Å; A703-A756 VanDerWaalsContact CB-O 3.28Å; A703-A756 WeakPolarHBondContact CB-O 3.43Å; A703-L759 HydrophobicContact CB-CB 4.3Å; A703-L760 HydrophobicContact CB-CD2 4.27Å
704	K	85.9	Confident	80.8	Confident	101 Å²	101	37.5 Å²	37.5	44%	0.439	21%	0.213	S	C	.	.	H	α-helix	trans	-63.3	-40.7	174.9	-70.4	168.9	178.1	175.9	0	112.6	E670 F700 C701 N707 S708	E670-K704 HydrophobicContact CG-CD 3.94Å; E670-K704 WeakPolarHBondContact OE1-CD 3.42Å; E670-K704 IonicContact OE1-NZ 3.26Å; E670-K704 PolarHBondContact OE1-NZ 3.11Å; E670-K704 WeakPolarHBondContact OE2-CD 3.38Å; E670-K704 IonicContact OE2-NZ 3.18Å; E670-K704 PolarHBondContact OE2-NZ 3.28Å; F700-K704 WeakPolarHBondContact O-CG 3.32Å; F700-K704 PolarHBondContact O-N 3.29Å; F700-K704 VanDerWaalsContact O-N 3.11Å; C701-K704 PolarHBondContact O-N 2.82Å; K704-N707 PolarHBondContact O-N 3.13Å; K704-S708 PolarHBondContact O-N 3.27Å; K704-S708 PolarHBondContact O-OG 2.91Å
705	I	84.8	Confident	79.2	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-69.1	-39.7	176.3	-71.1	166.5	0	0	0	110.8	P673 L681 C701 N707 S708 M709	P673-I705 HydrophobicContact CB-CG2 4.19Å; L681-I705 HydrophobicContact CD1-CD1 3.48Å; L681-I705 VanDerWaalsContact CD1-CD1 3.48Å; C701-I705 WeakPolarHBondContact O-CG1 3.03Å; C701-I705 PolarHBondContact O-N 3.49Å; I705-N707 VanDerWaalsContact C-N 3.33Å; I705-N707 PolarHBondContact O-N 3.04Å; I705-S708 WeakPolarHBondContact CA-OG 2.96Å; I705-S708 PolarHBondContact O-N 2.98Å; I705-S708 PolarHBondContact O-OG 3.19Å; I705-S708 VanDerWaalsContact O-OG 3.11Å; I705-M709 HydrophobicContact CG2-CG 4.14Å; I705-M709 HydrophobicContact CG2-SD 3.7Å; I705-M709 WeakPolarHBondContact O-CB 3.47Å; I705-M709 WeakPolarHBondContact O-CG 3.27Å; I705-M709 PolarHBondContact O-N 2.83Å
706	A	81.4	Confident	77.7	Confident	2 Å²	2	38.1 Å²	38.1	2%	0.017	22%	0.221	C	C	.	.	H	α-helix	trans	-56.2	-47.8	172.9	0	0	0	0	0	111.6	L702 A703 S708 M709 V710 W713 L760	L702-A706 WeakPolarHBondContact O-CB 3.31Å; L702-A706 PolarHBondContact O-N 3.41Å; A703-A706 WeakPolarHBondContact O-CB 3.42Å; A703-A706 PolarHBondContact O-N 2.84Å; A706-S708 PolarHBondContact O-N 3.43Å; A706-M709 PolarHBondContact O-N 3.14Å; A706-M709 VanDerWaalsContact O-N 3.16Å; A706-V710 WeakPolarHBondContact O-CG2 3.43Å; A706-V710 PolarHBondContact O-N 2.75Å; A706-W713 HydrophobicContact CB-CE3 4.29Å; A706-W713 HydrophobicContact CB-CH2 4.34Å; A706-W713 HydrophobicContact CB-CZ3 3.59Å; A706-L760 HydrophobicContact CB-CD2 3.41Å; A706-L760 VanDerWaalsContact CB-CD2 3.41Å
707	N	81.3	Confident	76.4	Confident	56 Å²	56	39.2 Å²	39.2	30%	0.299	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-14.3	-179.5	-66.4	-3.1	0	0	0	114.6	A703 K704 I705 V710 L759 L760 R761	A703-N707 PolarHBondContact O-N 3.49Å; A703-N707 PolarHBondContact O-OD1 2.95Å; K704-N707 PolarHBondContact O-N 3.13Å; I705-N707 VanDerWaalsContact C-N 3.33Å; I705-N707 PolarHBondContact O-N 3.04Å; N707-V710 VanDerWaalsContact O-CG2 3.31Å; N707-V710 WeakPolarHBondContact O-CG2 3.42Å; N707-L759 PolarHBondContact ND2-O 3.02Å; N707-L760 VanDerWaalsContact OD1-CA 3.31Å; N707-L760 WeakPolarHBondContact OD1-CA 3.49Å; N707-R761 PolarHBondContact OD1-N 3.04Å
708	S	82.2	Confident	75.4	Confident	65 Å²	65	39.2 Å²	39.2	46%	0.455	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-14	175.9	40.1	0	0	0	0	113.1	P673 K704 I705 A706	P673-S708 WeakPolarHBondContact CB-OG 3.49Å; K704-S708 PolarHBondContact O-N 3.27Å; K704-S708 PolarHBondContact O-OG 2.91Å; I705-S708 WeakPolarHBondContact CA-OG 2.96Å; I705-S708 PolarHBondContact O-N 2.98Å; I705-S708 PolarHBondContact O-OG 3.19Å; I705-S708 VanDerWaalsContact O-OG 3.11Å; A706-S708 PolarHBondContact O-N 3.43Å
709	M	76.1	Confident	74.7	Confident	15 Å²	15	39.2 Å²	39.2	7%	0.074	23%	0.232	C	C	.	.	S	Bend	trans	-97.6	4.9	177.6	-70.8	-168.3	72.3	0	0	114.4	P673 P675 I705 A706 S711 T712 W713	P673-M709 HydrophobicContact CB-CG 3.88Å; P675-M709 HydrophobicContact CB-CE 4.41Å; P675-M709 HydrophobicContact CG-CE 3.8Å; I705-M709 HydrophobicContact CG2-CG 4.14Å; I705-M709 HydrophobicContact CG2-SD 3.7Å; I705-M709 WeakPolarHBondContact O-CB 3.47Å; I705-M709 WeakPolarHBondContact O-CG 3.27Å; I705-M709 PolarHBondContact O-N 2.83Å; A706-M709 PolarHBondContact O-N 3.14Å; A706-M709 VanDerWaalsContact O-N 3.16Å; M709-S711 VanDerWaalsContact C-N 3.29Å; M709-S711 PolarHBondContact O-N 3.2Å; M709-S711 VanDerWaalsContact O-N 3.07Å; M709-T712 WeakPolarHBondContact O-CA 3.35Å; M709-T712 PolarHBondContact O-N 3.1Å; M709-T712 PolarHBondContact O-OG1 3.35Å; M709-W713 PolarHBondContact O-N 3.4Å
710	V	69.8	Low	74.1	Confident	23 Å²	23	41.8 Å²	41.8	14%	0.139	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-35	-162.9	-150.5	0	0	0	0	114.9	A706 N707 T712 W713 V763	A706-V710 WeakPolarHBondContact O-CG2 3.43Å; A706-V710 PolarHBondContact O-N 2.75Å; N707-V710 VanDerWaalsContact O-CG2 3.31Å; N707-V710 WeakPolarHBondContact O-CG2 3.42Å; V710-T712 PolarHBondContact O-N 3.15Å; V710-W713 WeakPolarHBondContact CA-O 3.16Å; V710-W713 CarbonylContact O-C 3.58Å; V710-W713 PolarHBondContact O-N 2.84Å; V710-V763 HydrophobicContact CB-CG2 4.13Å; V710-V763 HydrophobicContact CG1-CG2 3.67Å
711	S	67.8	Low	73.5	Confident	117 Å²	117	42 Å²	42	82%	0.818	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-21	175.9	55.4	0	0	0	0	114.3	M709	M709-S711 VanDerWaalsContact C-N 3.29Å; M709-S711 PolarHBondContact O-N 3.2Å; M709-S711 VanDerWaalsContact O-N 3.07Å
712	T	65.6	Low	73.1	Confident	103 Å²	103	42.2 Å²	42.2	63%	0.632	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-15.1	177.1	65.3	0	0	0	0	113.2	M709 V710	M709-T712 WeakPolarHBondContact O-CA 3.35Å; M709-T712 PolarHBondContact O-N 3.1Å; M709-T712 PolarHBondContact O-OG1 3.35Å; V710-T712 PolarHBondContact O-N 3.15Å
713	W	61.8	Low	72.9	Confident	47 Å²	47	42 Å²	42	18%	0.178	25%	0.253	C	S	.	.			trans	-154	119.7	-174.4	179.7	42.4	0	0	0	113.2	R678 A706 M709 V710 G715 A718	R678-W713 HydrophobicContact CG-CZ3 4.45Å; A706-W713 HydrophobicContact CB-CE3 4.29Å; A706-W713 HydrophobicContact CB-CH2 4.34Å; A706-W713 HydrophobicContact CB-CZ3 3.59Å; M709-W713 PolarHBondContact O-N 3.4Å; V710-W713 WeakPolarHBondContact CA-O 3.16Å; V710-W713 CarbonylContact O-C 3.58Å; V710-W713 PolarHBondContact O-N 2.84Å; W713-G715 VanDerWaalsContact CH2-O 3.27Å; W713-G715 WeakPolarHBondContact CH2-O 3.18Å; W713-G715 WeakPolarHBondContact CZ2-O 3.46Å; W713-G715 PolarHBondContact O-N 2.87Å; W713-G715 VanDerWaalsContact O-N 3.14Å; W713-A718 HydrophobicContact CH2-CB 3.98Å; W713-A718 HydrophobicContact CZ2-CB 3.43Å; W713-A718 VanDerWaalsContact CZ2-CB 3.43Å
714	T	57.5	Low	72.6	Confident	102 Å²	102	43.5 Å²	43.5	63%	0.626	26%	0.262	S	S	*	.			trans	-68	104.4	164.9	36.6	0	0	0	0	110.2	P716 P717	T714-P716 VanDerWaalsContact C-CD 3.4Å; T714-P717 WeakPolarHBondContact O-CD 3.5Å
715	G	57.5	Low	72.3	Confident	10 Å²	10	45.5 Å²	45.5	10%	0.103	27%	0.267	C	S	.	.			trans	-61.4	-31.9	-168.3	0	0	0	0	0	120.4	W713 P717	W713-G715 VanDerWaalsContact CH2-O 3.27Å; W713-G715 WeakPolarHBondContact CH2-O 3.18Å; W713-G715 WeakPolarHBondContact CZ2-O 3.46Å; W713-G715 PolarHBondContact O-N 2.87Å; W713-G715 VanDerWaalsContact O-N 3.14Å; G715-P717 VanDerWaalsContact C-CD 3.48Å
716	P	58.1	Low	71.9	Confident	16 Å²	16	47.8 Å²	47.8	10%	0.104	28%	0.278	C	S	.	.	H	α-helix	trans	-58.5	-46.1	-169.9	-27.6	35.6	0	0	0	118.3	T714 A718 K720 P768 E770 V771	T714-P716 VanDerWaalsContact C-CD 3.4Å; P716-A718 PolarHBondContact O-N 3.04Å; P716-K720 WeakPolarHBondContact O-CB 3.39Å; P716-K720 PolarHBondContact O-N 2.84Å; P716-P768 HydrophobicContact CG-CB 3.49Å; P716-P768 VanDerWaalsContact CG-CB 3.49Å; P716-P768 HydrophobicContact CG-CG 3.75Å; P716-E770 HydrophobicContact CB-CB 4.39Å; P716-V771 HydrophobicContact CB-CG2 4.22Å
717	P	61.9	Low	71.6	Confident	66 Å²	66	48.7 Å²	48.7	43%	0.429	28%	0.282	S	S	.	.	H	α-helix	trans	-73.8	-24.3	-160.3	28.1	-34.2	0	0	0	113.6	T714 G715 S721	T714-P717 WeakPolarHBondContact O-CD 3.5Å; G715-P717 VanDerWaalsContact C-CD 3.48Å; P717-S721 WeakPolarHBondContact O-CB 3.34Å; P717-S721 PolarHBondContact O-N 3.28Å
718	A	67.1	Low	71.2	Confident	29 Å²	29	46.1 Å²	46.1	24%	0.24	27%	0.268	C	S	.	.	H	α-helix	trans	-74.2	-46.4	-178.1	0	0	0	0	0	112.6	W713 P716 S721 L722	W713-A718 HydrophobicContact CH2-CB 3.98Å; W713-A718 HydrophobicContact CZ2-CB 3.43Å; W713-A718 VanDerWaalsContact CZ2-CB 3.43Å; P716-A718 PolarHBondContact O-N 3.04Å; A718-S721 PolarHBondContact O-N 3.34Å; A718-L722 VanDerWaalsContact O-CB 3.28Å; A718-L722 WeakPolarHBondContact O-CB 3.35Å; A718-L722 PolarHBondContact O-N 3.11Å
719	M	75.4	Confident	70.6	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-68.6	-37.8	177.7	-67.5	-175.7	76.1	0	0	111.3	L702 L722 F723 A756 M757 L760	L702-M719 HydrophobicContact CD2-CE 4.35Å; L702-M719 HydrophobicContact CD2-CG 3.89Å; L702-M719 HydrophobicContact CD2-SD 4.17Å; L702-M719 HydrophobicContact CG-CG 4.44Å; L702-M719 HydrophobicContact CG-SD 4.24Å; M719-L722 PolarHBondContact O-N 3.34Å; M719-F723 PolarHBondContact O-N 3.05Å; M719-A756 HydrophobicContact CE-CB 3.95Å; M719-M757 HydrophobicContact CB-CE 4.44Å; M719-M757 HydrophobicContact CB-CG 3.77Å; M719-M757 HydrophobicContact CB-SD 4.07Å; M719-M757 HydrophobicContact CE-CG 3.81Å; M719-M757 HydrophobicContact SD-CG 4.23Å; M719-L760 HydrophobicContact SD-CD1 3.94Å; M719-L760 HydrophobicContact SD-CD2 4.01Å; M719-L760 HydrophobicContact SD-CG 4.26Å
720	K	76.1	Confident	69.9	Low	53 Å²	53	54.4 Å²	54.4	23%	0.23	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-50.7	171.8	-173.2	171.2	175.6	175.7	0	111.7	P716 L722 F723 T724 M757 E770 F774	P716-K720 WeakPolarHBondContact O-CB 3.39Å; P716-K720 PolarHBondContact O-N 2.84Å; K720-L722 VanDerWaalsContact C-N 3.32Å; K720-L722 PolarHBondContact O-N 2.74Å; K720-F723 PolarHBondContact O-N 3.21Å; K720-T724 WeakPolarHBondContact O-CB 3.5Å; K720-T724 PolarHBondContact O-N 3.39Å; K720-T724 PolarHBondContact O-OG1 3.38Å; K720-M757 HydrophobicContact CB-CE 4.04Å; K720-E770 IonicContact NZ-OE2 3.36Å; K720-E770 PolarHBondContact NZ-OE2 3.43Å; K720-F774 HydrophobicContact CG-CD2 4.3Å; K720-F774 HydrophobicContact CG-CE2 4.32Å; K720-F774 HydrophobicContact CG-CG 4.48Å
721	S	76.9	Confident	69.5	Low	69 Å²	69	58.4 Å²	58.4	48%	0.483	33%	0.329	S	S	.	.	H	α-helix	trans	-60	-39.3	176.2	179.2	0	0	0	0	112.8	P717 A718 T724 R725	P717-S721 WeakPolarHBondContact O-CB 3.34Å; P717-S721 PolarHBondContact O-N 3.28Å; A718-S721 PolarHBondContact O-N 3.34Å; S721-T724 PolarHBondContact O-N 3.1Å; S721-R725 VanDerWaalsContact O-CB 3.25Å; S721-R725 WeakPolarHBondContact O-CB 3.24Å; S721-R725 PolarHBondContact O-N 2.82Å
722	L	77.9	Confident	69.1	Low	4 Å²	4	55.4 Å²	55.4	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-64.9	-46.9	175.6	-179	57.6	0	0	0	111.8	T682 L685 E686 A718 M719 K720 R725 M726 M753	T682-L722 HydrophobicContact CG2-CD2 4.46Å; L685-L722 HydrophobicContact CB-CD2 4.25Å; L685-L722 HydrophobicContact CD2-CD2 3.55Å; L685-L722 HydrophobicContact CG-CD2 3.92Å; E686-L722 HydrophobicContact CG-CD1 3.55Å; A718-L722 VanDerWaalsContact O-CB 3.28Å; A718-L722 WeakPolarHBondContact O-CB 3.35Å; A718-L722 PolarHBondContact O-N 3.11Å; M719-L722 PolarHBondContact O-N 3.34Å; K720-L722 VanDerWaalsContact C-N 3.32Å; K720-L722 PolarHBondContact O-N 2.74Å; L722-R725 PolarHBondContact O-N 3.07Å; L722-M726 HydrophobicContact CD1-CE 3.94Å; L722-M726 HydrophobicContact CD1-CG 4.35Å; L722-M726 HydrophobicContact CD1-SD 4Å; L722-M726 HydrophobicContact CG-CE 3.81Å; L722-M726 WeakPolarHBondContact O-CG 3.37Å; L722-M726 PolarHBondContact O-N 2.92Å; L722-M726 VanDerWaalsContact O-N 3.11Å; L722-M753 HydrophobicContact CB-CE 4.34Å; L722-M753 HydrophobicContact CD2-CE 4.19Å; L722-M753 HydrophobicContact CG-CE 4.01Å
723	F	81.3	Confident	68.8	Low	0 Å²	0	54 Å²	54	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.7	-47.2	174.2	-167.9	-76.7	0	0	0	111.1	M719 K720 R725 M726 F727 Q750 M753 P754 F774 L778	M719-F723 PolarHBondContact O-N 3.05Å; K720-F723 PolarHBondContact O-N 3.21Å; F723-R725 VanDerWaalsContact C-N 3.35Å; F723-R725 PolarHBondContact O-N 2.92Å; F723-M726 PolarHBondContact O-N 3.28Å; F723-F727 HydrophobicContact CD1-CB 4.02Å; F723-F727 HydrophobicContact CD1-CD2 4.18Å; F723-F727 AromaticContact CD2-CD2 3.78Å; F723-F727 HydrophobicContact CD2-CD2 3.78Å; F723-F727 HydrophobicContact CD2-CE2 4.33Å; F723-F727 HydrophobicContact CE1-CB 3.71Å; F723-F727 HydrophobicContact CE1-CD2 4.2Å; F723-F727 HydrophobicContact CE1-CG 4.35Å; F723-F727 AromaticContact CE2-CD2 3.79Å; F723-F727 HydrophobicContact CE2-CD2 3.79Å; F723-F727 HydrophobicContact CE2-CE2 4.36Å; F723-F727 AromaticContact CG-CD2 3.99Å; F723-F727 HydrophobicContact CG-CD2 3.99Å; F723-F727 HydrophobicContact CZ-CB 4.09Å; F723-F727 HydrophobicContact CZ-CD2 4.01Å; F723-F727 HydrophobicContact CZ-CG 4.31Å; F723-F727 PolarHBondContact O-N 3.23Å; F723-Q750 HydrophobicContact CE2-CG 4.28Å; F723-Q750 HydrophobicContact CZ-CG 4.14Å; F723-M753 HydrophobicContact CB-CE 3.9Å; F723-M753 HydrophobicContact CD2-CB 3.91Å; F723-M753 HydrophobicContact CD2-CE 4.2Å; F723-M753 HydrophobicContact CD2-SD 4.03Å; F723-M753 HydrophobicContact CE2-CB 4.32Å; F723-P754 HydrophobicContact CE2-CG 4.31Å; F723-F774 HydrophobicContact CB-CE1 4.44Å; F723-F774 HydrophobicContact CB-CZ 4.23Å; F723-F774 HydrophobicContact CD1-CE1 4.24Å; F723-F774 AromaticContact CD1-CZ 3.63Å; F723-F774 HydrophobicContact CD1-CZ 3.63Å; F723-F774 HydrophobicContact CE1-CZ 4.22Å; F723-F774 HydrophobicContact CG-CE1 4.25Å; F723-F774 HydrophobicContact CG-CZ 4.02Å; F723-L778 HydrophobicContact CD1-CD2 4.46Å; F723-L778 HydrophobicContact CE1-CD1 4.4Å; F723-L778 HydrophobicContact CE1-CD2 3.62Å; F723-L778 HydrophobicContact CE2-CD1 4.49Å; F723-L778 HydrophobicContact CZ-CD1 4.09Å; F723-L778 HydrophobicContact CZ-CD2 3.93Å
724	T	79.4	Confident	68.7	Low	34 Å²	34	57.4 Å²	57.4	21%	0.209	32%	0.322	C	S	.	.	H	α-helix	trans	-57.4	-44.8	177.1	-71.2	0	0	0	0	112.1	K720 S721 M726 C728 P733	K720-T724 WeakPolarHBondContact O-CB 3.5Å; K720-T724 PolarHBondContact O-N 3.39Å; K720-T724 PolarHBondContact O-OG1 3.38Å; S721-T724 PolarHBondContact O-N 3.1Å; T724-M726 PolarHBondContact O-N 3.02Å; T724-C728 HydrophobicContact CG2-CB 4.11Å; T724-C728 WeakPolarHBondContact O-CB 3.39Å; T724-C728 PolarHBondContact O-N 2.65Å; T724-C728 VanDerWaalsContact O-N 3.07Å; T724-P733 HydrophobicContact CG2-CB 3.87Å; T724-P733 WeakPolarHBondContact CG2-O 3.35Å; T724-P733 PolarHBondContact OG1-O 3.04Å
725	R	79	Confident	69.2	Low	142 Å²	142	56.4 Å²	56.4	54%	0.536	31%	0.312	S	S	.	.	H	α-helix	trans	-64.9	-38.3	179.7	176.3	159.7	48.7	122.9	0.5	112.8	E686 S721 L722 F723	E686-R725 VanDerWaalsContact CD-NH2 3.33Å; E686-R725 IonicContact OE1-CZ 3.54Å; E686-R725 IonicContact OE1-NH1 3.4Å; E686-R725 PolarHBondContact OE1-NH1 2.81Å; E686-R725 IonicContact OE1-NH2 2.7Å; E686-R725 PolarHBondContact OE1-NH2 3.05Å; E686-R725 IonicContact OE2-CZ 3.52Å; E686-R725 IonicContact OE2-NH1 3.41Å; E686-R725 PolarHBondContact OE2-NH1 2.96Å; E686-R725 IonicContact OE2-NH2 2.73Å; S721-R725 VanDerWaalsContact O-CB 3.25Å; S721-R725 WeakPolarHBondContact O-CB 3.24Å; S721-R725 PolarHBondContact O-N 2.82Å; L722-R725 PolarHBondContact O-N 3.07Å; F723-R725 VanDerWaalsContact C-N 3.35Å; F723-R725 PolarHBondContact O-N 2.92Å
726	M	76.2	Confident	69.7	Low	48 Å²	48	56.8 Å²	56.8	24%	0.236	31%	0.312	C	S	.	.	H	α-helix	trans	-82.7	-48	179.9	-63.5	-172.5	-56.2	0	0	112.6	L722 F723 T724 K737 L749 M753	L722-M726 HydrophobicContact CD1-CE 3.94Å; L722-M726 HydrophobicContact CD1-CG 4.35Å; L722-M726 HydrophobicContact CD1-SD 4Å; L722-M726 HydrophobicContact CG-CE 3.81Å; L722-M726 WeakPolarHBondContact O-CG 3.37Å; L722-M726 PolarHBondContact O-N 2.92Å; L722-M726 VanDerWaalsContact O-N 3.11Å; F723-M726 PolarHBondContact O-N 3.28Å; T724-M726 PolarHBondContact O-N 3.02Å; M726-K737 PolarHBondContact O-NZ 3.17Å; M726-L749 HydrophobicContact CE-CD2 3.93Å; M726-L749 HydrophobicContact SD-CD2 4.21Å; M726-M753 HydrophobicContact CE-CE 3.93Å; M726-M753 HydrophobicContact CE-SD 3.45Å; M726-M753 WeakPolarHBondContact CE-SD 3.06Å
727	F	75.6	Confident	70.2	Confident	21 Å²	21	60 Å²	60	9%	0.092	32%	0.324	C	S	.	.	H	α-helix	trans	-111.7	-21	-164.7	-59.6	-64.1	0	0	0	115.7	F723 K737 L749 Q750 M753	F723-F727 HydrophobicContact CD1-CB 4.02Å; F723-F727 HydrophobicContact CD1-CD2 4.18Å; F723-F727 AromaticContact CD2-CD2 3.78Å; F723-F727 HydrophobicContact CD2-CD2 3.78Å; F723-F727 HydrophobicContact CD2-CE2 4.33Å; F723-F727 HydrophobicContact CE1-CB 3.71Å; F723-F727 HydrophobicContact CE1-CD2 4.2Å; F723-F727 HydrophobicContact CE1-CG 4.35Å; F723-F727 AromaticContact CE2-CD2 3.79Å; F723-F727 HydrophobicContact CE2-CD2 3.79Å; F723-F727 HydrophobicContact CE2-CE2 4.36Å; F723-F727 AromaticContact CG-CD2 3.99Å; F723-F727 HydrophobicContact CG-CD2 3.99Å; F723-F727 HydrophobicContact CZ-CB 4.09Å; F723-F727 HydrophobicContact CZ-CD2 4.01Å; F723-F727 HydrophobicContact CZ-CG 4.31Å; F723-F727 PolarHBondContact O-N 3.23Å; F727-K737 WeakPolarHBondContact O-CB 3.43Å; F727-K737 WeakPolarHBondContact O-CD 3.24Å; F727-K737 WeakPolarHBondContact O-CG 3.12Å; F727-K737 PolarHBondContact O-N 3.17Å; F727-L749 HydrophobicContact CE2-CD2 4.44Å; F727-L749 HydrophobicContact CE2-CG 4.2Å; F727-L749 HydrophobicContact CZ-CB 4.34Å; F727-L749 HydrophobicContact CZ-CD2 4.09Å; F727-L749 HydrophobicContact CZ-CG 3.98Å; F727-Q750 HydrophobicContact CD1-CB 4.37Å; F727-Q750 HydrophobicContact CD1-CG 4.43Å; F727-Q750 HydrophobicContact CE1-CB 3.95Å; F727-Q750 HydrophobicContact CE2-CB 4.21Å; F727-Q750 HydrophobicContact CZ-CB 3.87Å; F727-M753 HydrophobicContact CE2-SD 3.89Å
728	C	72.4	Confident	70.6	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.014	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	165.4	178	-64.4	0	0	0	0	113.6	T724 P733 I735 K737	T724-C728 HydrophobicContact CG2-CB 4.11Å; T724-C728 WeakPolarHBondContact O-CB 3.39Å; T724-C728 PolarHBondContact O-N 2.65Å; T724-C728 VanDerWaalsContact O-N 3.07Å; C728-P733 VanDerWaalsContact CB-O 3.31Å; C728-P733 WeakPolarHBondContact CB-O 3.45Å; C728-P733 PolarHBondContact SG-O 3.36Å; C728-I735 WeakPolarHBondContact CA-O 3.39Å; C728-I735 WeakPolarHBondContact CB-O 3.42Å; C728-K737 WeakPolarHBondContact O-CE 3.28Å; C728-K737 PolarHBondContact O-NZ 3.26Å
729	C	68.4	Low	70.8	Confident	39 Å²	39	58.7 Å²	58.7	26%	0.264	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	131.3	178	-74.9	0	0	0	0	111.6	S731 C732 I735	C729-S731 PolarHBondContact O-N 2.69Å; C729-S731 VanDerWaalsContact O-N 3.07Å; C729-C732 HydrophobicContact CB-CB 4.48Å; C729-C732 CarbonylContact O-C 3.56Å; C729-C732 VanDerWaalsContact O-C 3.25Å; C729-C732 PolarHBondContact O-N 2.84Å; C729-I735 PolarHBondContact N-O 3.33Å
730	K	62.8	Low	70.8	Confident	216 Å²	216	63.5 Å²	63.5	94%	0.939	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.2	178.8	-69.9	-172.2	176.7	-176.6	0	113.9
731	S	60.2	Low	70.9	Confident	106 Å²	106	61 Å²	61	74%	0.741	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-19.7	177	47.5	0	0	0	0	114.3	C729	C729-S731 PolarHBondContact O-N 2.69Å; C729-S731 VanDerWaalsContact O-N 3.07Å
732	C	59.2	Low	70.9	Confident	54 Å²	54	62.7 Å²	62.7	37%	0.365	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	91.6	-174.1	-67.2	0	0	0	0	109.5	C729 N734 I735	C729-C732 HydrophobicContact CB-CB 4.48Å; C729-C732 CarbonylContact O-C 3.56Å; C729-C732 VanDerWaalsContact O-C 3.25Å; C729-C732 PolarHBondContact O-N 2.84Å; C732-N734 PolarHBondContact O-N 3.22Å; C732-I735 HydrophobicContact CB-CB 4.04Å; C732-I735 HydrophobicContact CB-CD1 3.94Å; C732-I735 HydrophobicContact CB-CG1 4.08Å; C732-I735 PolarHBondContact O-N 2.88Å
733	P	60.6	Low	71.2	Confident	73 Å²	73	65.2 Å²	65.2	47%	0.474	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	-26.6	-173.2	-29.5	37	0	0	0	115.7	T724 C728	T724-P733 HydrophobicContact CG2-CB 3.87Å; T724-P733 WeakPolarHBondContact CG2-O 3.35Å; T724-P733 PolarHBondContact OG1-O 3.04Å; C728-P733 VanDerWaalsContact CB-O 3.31Å; C728-P733 WeakPolarHBondContact CB-O 3.45Å; C728-P733 PolarHBondContact SG-O 3.36Å
734	N	60	Low	71.3	Confident	120 Å²	120	70.4 Å²	70.4	64%	0.642	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	-6.4	-178.4	-59.7	-0.7	0	0	0	113.4	C732	C732-N734 PolarHBondContact O-N 3.22Å
735	I	67	Low	71.4	Confident	81 Å²	81	72.5 Å²	72.5	42%	0.415	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.4	-177.4	-59.9	179.1	0	0	0	109.3	C728 C729 C732	C728-I735 WeakPolarHBondContact CA-O 3.39Å; C728-I735 WeakPolarHBondContact CB-O 3.42Å; C729-I735 PolarHBondContact N-O 3.33Å; C732-I735 HydrophobicContact CB-CB 4.04Å; C732-I735 HydrophobicContact CB-CD1 3.94Å; C732-I735 HydrophobicContact CB-CG1 4.08Å; C732-I735 PolarHBondContact O-N 2.88Å
736	V	68.4	Low	71.6	Confident	17 Å²	17	67.5 Å²	67.5	10%	0.103	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	145.2	174.5	-160.4	0	0	0	0	109.6	L778	V736-L778 HydrophobicContact CG2-CD2 3.4Å; V736-L778 VanDerWaalsContact CG2-CD2 3.4Å
737	K	68.6	Low	72.2	Confident	85 Å²	85	65.4 Å²	65.4	37%	0.37	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-60.1	147.7	166.1	-67.9	163.7	-178.4	117.5	0	109.2	M726 F727 C728 N739	M726-K737 PolarHBondContact O-NZ 3.17Å; F727-K737 WeakPolarHBondContact O-CB 3.43Å; F727-K737 WeakPolarHBondContact O-CD 3.24Å; F727-K737 WeakPolarHBondContact O-CG 3.12Å; F727-K737 PolarHBondContact O-N 3.17Å; C728-K737 WeakPolarHBondContact O-CE 3.28Å; C728-K737 PolarHBondContact O-NZ 3.26Å; K737-N739 PolarHBondContact O-N 2.92Å
738	T	69.2	Low	72.7	Confident	58 Å²	58	65.7 Å²	65.7	36%	0.356	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-54.1	127.1	168.1	52.2	0	0	0	0	109.4	D783 K786	T738-D783 HydrophobicContact CG2-CB 4.48Å; T738-K786 HydrophobicContact CG2-CD 4.15Å
739	N	72.9	Confident	73.5	Confident	9 Å²	9	66 Å²	66	5%	0.048	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-57.3	143.8	-170.2	-71.6	-34.2	0	0	0	112.5	K737 F741 Q750 N782 D783 N787	K737-N739 PolarHBondContact O-N 2.92Å; N739-F741 HydrophobicContact CB-CD1 4.31Å; N739-F741 HydrophobicContact CB-CE1 3.65Å; N739-F741 HydrophobicContact CB-CZ 3.87Å; N739-Q750 PolarHBondContact OD1-NE2 3.42Å; N739-N782 PolarHBondContact ND2-OD1 2.78Å; N739-D783 PolarHBondContact N-O 3.22Å; N739-N787 WeakPolarHBondContact CB-ND2 3.43Å
740	N	73.8	Confident	74.3	Confident	103 Å²	103	64.8 Å²	64.8	55%	0.551	35%	0.346	S	S	*	.			trans	-141.6	94	176.3	178.8	9.1	0	0	0	109.5	M742	N740-M742 PolarHBondContact O-N 3.13Å; N740-M742 VanDerWaalsContact OD1-CB 3.28Å; N740-M742 WeakPolarHBondContact OD1-CB 3.46Å; N740-M742 WeakPolarHBondContact OD1-CG 3.48Å; N740-M742 PolarHBondContact OD1-N 2.79Å
741	F	78.3	Confident	75.5	Confident	1 Å²	1	55.3 Å²	55.3	0%	0.004	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	15.6	-176.3	-52.8	-26.7	0	0	0	113.7	I336 N739 S743 Y747 N787 F789 D791 Y794	I336-F741 HydrophobicContact CD1-CB 3.8Å; N739-F741 HydrophobicContact CB-CD1 4.31Å; N739-F741 HydrophobicContact CB-CE1 3.65Å; N739-F741 HydrophobicContact CB-CZ 3.87Å; F741-S743 PolarHBondContact O-N 3.11Å; F741-Y747 HydrophobicContact CB-CD2 4.19Å; F741-Y747 HydrophobicContact CB-CG 4.49Å; F741-Y747 AromaticContact CD1-CD2 3.61Å; F741-Y747 HydrophobicContact CD1-CD2 3.61Å; F741-Y747 HydrophobicContact CD1-CE2 4.39Å; F741-Y747 HydrophobicContact CD1-CG 4.44Å; F741-Y747 AromaticContact CD2-CD2 3.91Å; F741-Y747 HydrophobicContact CD2-CD2 3.91Å; F741-Y747 AromaticContact CD2-CE2 3.97Å; F741-Y747 HydrophobicContact CD2-CE2 3.97Å; F741-Y747 AromaticContact CE1-CD2 3.89Å; F741-Y747 HydrophobicContact CE1-CD2 3.89Å; F741-Y747 HydrophobicContact CE1-CE2 4.4Å; F741-Y747 HydrophobicContact CE2-CD2 4.19Å; F741-Y747 HydrophobicContact CE2-CE2 4.01Å; F741-Y747 AromaticContact CG-CD2 3.64Å; F741-Y747 HydrophobicContact CG-CD2 3.64Å; F741-Y747 HydrophobicContact CG-CE2 4.19Å; F741-Y747 HydrophobicContact CG-CG 4.39Å; F741-Y747 HydrophobicContact CZ-CD2 4.18Å; F741-Y747 HydrophobicContact CZ-CE2 4.23Å; F741-N787 WeakPolarHBondContact CD2-ND2 3.41Å; F741-N787 WeakPolarHBondContact CE2-ND2 3.5Å; F741-N787 VanDerWaalsContact CG-ND2 3.27Å; F741-N787 WeakPolarHBondContact CG-ND2 3.49Å; F741-N787 PolarHBondContact N-OD1 3.15Å; F741-N787 VanDerWaalsContact N-OD1 3.1Å; F741-F789 HydrophobicContact CB-CB 4.23Å; F741-F789 HydrophobicContact CB-CD2 3.89Å; F741-F789 HydrophobicContact CB-CG 4.41Å; F741-F789 HydrophobicContact CD2-CB 4.01Å; F741-D791 HydrophobicContact CE2-CB 3.81Å; F741-D791 HydrophobicContact CZ-CB 4.11Å; F741-Y794 HydrophobicContact CZ-CD1 4.34Å
742	M	78.6	Confident	76.8	Confident	103 Å²	103	50.5 Å²	50.5	51%	0.507	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.6	174.8	-63.2	-70.8	148	0	0	113.4	N740 K788 F789	N740-M742 PolarHBondContact O-N 3.13Å; N740-M742 VanDerWaalsContact OD1-CB 3.28Å; N740-M742 WeakPolarHBondContact OD1-CB 3.46Å; N740-M742 WeakPolarHBondContact OD1-CG 3.48Å; N740-M742 PolarHBondContact OD1-N 2.79Å; M742-K788 HydrophobicContact CE-CB 3.87Å; M742-K788 HydrophobicContact CE-CD 3.93Å; M742-K788 HydrophobicContact CE-CG 4.06Å; M742-F789 HydrophobicContact CE-CD2 3.9Å; M742-F789 HydrophobicContact CE-CE2 3.42Å; M742-F789 VanDerWaalsContact CE-CE2 3.42Å; M742-F789 HydrophobicContact CE-CZ 4.26Å; M742-F789 HydrophobicContact SD-CE2 3.74Å; M742-F789 HydrophobicContact SD-CZ 4.42Å
743	S	83.1	Confident	78.2	Confident	57 Å²	57	47.9 Å²	47.9	40%	0.399	25%	0.253	S	S	.	.	S	Bend	trans	-109.4	108.6	169.4	171.3	0	0	0	0	110.2	F741 Q745 S746 Y747	F741-S743 PolarHBondContact O-N 3.11Å; S743-Q745 VanDerWaalsContact C-N 3.27Å; S743-Q745 PolarHBondContact O-N 3.36Å; S743-S746 WeakPolarHBondContact CB-OG 3.19Å; S743-S746 PolarHBondContact O-N 2.89Å; S743-S746 PolarHBondContact O-OG 3.12Å; S743-S746 PolarHBondContact OG-OG 3.09Å; S743-S746 VanDerWaalsContact OG-OG 3.14Å; S743-Y747 PolarHBondContact O-N 3.5Å; S743-Y747 VanDerWaalsContact O-N 3.08Å
744	F	82.7	Confident	79.5	Confident	109 Å²	109	44.5 Å²	44.5	48%	0.478	23%	0.231	S	C	.	.	H	α-helix	trans	-63.4	-31.6	-178	-55.1	-30.7	0	0	0	112.7	I336 Y747 F748	I336-F744 HydrophobicContact CD1-CD1 4.06Å; I336-F744 HydrophobicContact CD1-CE1 3.99Å; I336-F744 HydrophobicContact CG1-CE1 4.16Å; I336-F744 HydrophobicContact CG2-CD1 3.75Å; I336-F744 HydrophobicContact CG2-CE1 3.85Å; I336-F744 HydrophobicContact CG2-CG 4.28Å; I336-F744 HydrophobicContact CG2-CZ 4.46Å; F744-Y747 PolarHBondContact O-N 3.46Å; F744-F748 HydrophobicContact CB-CD2 4.41Å; F744-F748 HydrophobicContact CB-CE2 4.15Å; F744-F748 WeakPolarHBondContact O-CD2 3.14Å; F744-F748 PolarHBondContact O-N 2.89Å
745	Q	82.9	Confident	80.9	Confident	79 Å²	79	39.3 Å²	39.3	37%	0.369	20%	0.203	S	C	.	.	H	α-helix	trans	-62.9	-46.8	177.2	-60.4	-174.6	8	0	0	111.7	E688 S743 Y747 L749	E688-Q745 PolarHBondContact O-OE1 3.35Å; S743-Q745 VanDerWaalsContact C-N 3.27Å; S743-Q745 PolarHBondContact O-N 3.36Å; Q745-Y747 VanDerWaalsContact C-N 3.34Å; Q745-L749 VanDerWaalsContact O-CB 3.31Å; Q745-L749 WeakPolarHBondContact O-CB 3.48Å; Q745-L749 PolarHBondContact O-N 3.02Å; Q745-L749 VanDerWaalsContact O-N 3.13Å
746	S	83.5	Confident	81.8	Confident	37 Å²	37	35.4 Å²	35.4	26%	0.259	18%	0.184	S	C	.	.	H	α-helix	trans	-67.7	-33.7	175.5	38.9	0	0	0	0	112.3	S743 L749 Q750	S743-S746 WeakPolarHBondContact CB-OG 3.19Å; S743-S746 PolarHBondContact O-N 2.89Å; S743-S746 PolarHBondContact O-OG 3.12Å; S743-S746 PolarHBondContact OG-OG 3.09Å; S743-S746 VanDerWaalsContact OG-OG 3.14Å; S746-L749 PolarHBondContact O-N 3.33Å; S746-Q750 WeakPolarHBondContact O-CB 3.45Å; S746-Q750 PolarHBondContact O-N 3.12Å
747	Y	87.6	Confident	82.6	Confident	3 Å²	3	34.6 Å²	34.6	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-55.3	175.3	170.1	-109.2	0	0	0	111.9	I336 D337 F741 S743 F744 Q745 L749 Q750 K751	I336-Y747 HydrophobicContact CB-CE1 4.3Å; I336-Y747 HydrophobicContact CD1-CD1 4.36Å; I336-Y747 HydrophobicContact CD1-CE1 4.47Å; I336-Y747 HydrophobicContact CG2-CD1 4.45Å; I336-Y747 HydrophobicContact CG2-CE1 4.41Å; D337-Y747 VanDerWaalsContact OD2-CE1 3.28Å; D337-Y747 WeakPolarHBondContact OD2-CE1 3.44Å; D337-Y747 PolarHBondContact OD2-OH 2.89Å; F741-Y747 HydrophobicContact CB-CD2 4.19Å; F741-Y747 HydrophobicContact CB-CG 4.49Å; F741-Y747 AromaticContact CD1-CD2 3.61Å; F741-Y747 HydrophobicContact CD1-CD2 3.61Å; F741-Y747 HydrophobicContact CD1-CE2 4.39Å; F741-Y747 HydrophobicContact CD1-CG 4.44Å; F741-Y747 AromaticContact CD2-CD2 3.91Å; F741-Y747 HydrophobicContact CD2-CD2 3.91Å; F741-Y747 AromaticContact CD2-CE2 3.97Å; F741-Y747 HydrophobicContact CD2-CE2 3.97Å; F741-Y747 AromaticContact CE1-CD2 3.89Å; F741-Y747 HydrophobicContact CE1-CD2 3.89Å; F741-Y747 HydrophobicContact CE1-CE2 4.4Å; F741-Y747 HydrophobicContact CE2-CD2 4.19Å; F741-Y747 HydrophobicContact CE2-CE2 4.01Å; F741-Y747 AromaticContact CG-CD2 3.64Å; F741-Y747 HydrophobicContact CG-CD2 3.64Å; F741-Y747 HydrophobicContact CG-CE2 4.19Å; F741-Y747 HydrophobicContact CG-CG 4.39Å; F741-Y747 HydrophobicContact CZ-CD2 4.18Å; F741-Y747 HydrophobicContact CZ-CE2 4.23Å; S743-Y747 PolarHBondContact O-N 3.5Å; S743-Y747 VanDerWaalsContact O-N 3.08Å; F744-Y747 PolarHBondContact O-N 3.46Å; Q745-Y747 VanDerWaalsContact C-N 3.34Å; Y747-L749 PolarHBondContact O-N 2.95Å; Y747-Q750 PolarHBondContact O-N 3.21Å; Y747-K751 VanDerWaalsContact O-CB 3.24Å; Y747-K751 WeakPolarHBondContact O-CB 3.32Å; Y747-K751 PolarHBondContact O-N 3.1Å
748	F	87.3	Confident	83.4	Confident	28 Å²	28	30.6 Å²	30.6	12%	0.123	16%	0.161	C	C	.	.	H	α-helix	trans	-62.1	-32	178.5	-67.7	-56.8	0	0	0	112.6	Y692 M696 F744 T752	Y692-F748 HydrophobicContact CD2-CB 3.8Å; Y692-F748 AromaticContact CD2-CD2 3.35Å; Y692-F748 HydrophobicContact CD2-CD2 3.35Å; Y692-F748 HydrophobicContact CD2-CE2 4.09Å; Y692-F748 AromaticContact CD2-CG 3.74Å; Y692-F748 HydrophobicContact CD2-CG 3.74Å; Y692-F748 HydrophobicContact CE2-CB 4.48Å; Y692-F748 AromaticContact CE2-CD2 3.47Å; Y692-F748 HydrophobicContact CE2-CD2 3.47Å; Y692-F748 VanDerWaalsContact CE2-CD2 3.47Å; Y692-F748 AromaticContact CE2-CE2 3.74Å; Y692-F748 HydrophobicContact CE2-CE2 3.74Å; Y692-F748 AromaticContact CE2-CG 3.97Å; Y692-F748 HydrophobicContact CE2-CG 3.97Å; Y692-F748 HydrophobicContact CE2-CZ 4.44Å; Y692-F748 HydrophobicContact CG-CD2 4.06Å; M696-F748 HydrophobicContact SD-CB 4.12Å; F744-F748 HydrophobicContact CB-CD2 4.41Å; F744-F748 HydrophobicContact CB-CE2 4.15Å; F744-F748 WeakPolarHBondContact O-CD2 3.14Å; F744-F748 PolarHBondContact O-N 2.89Å; F748-T752 WeakPolarHBondContact O-CB 3.42Å; F748-T752 PolarHBondContact O-N 3.27Å; F748-T752 VanDerWaalsContact O-N 3.11Å; F748-T752 PolarHBondContact O-OG1 3.38Å
749	L	87.7	Confident	84.2	Confident	9 Å²	9	30.6 Å²	30.6	5%	0.047	16%	0.159	C	C	.	.	H	α-helix	trans	-69.1	-50.6	173.6	178.6	57	0	0	0	112.4	L685 M726 F727 Q745 S746 Y747 K751 T752 M753	L685-L749 HydrophobicContact CD1-CD1 3.38Å; L685-L749 HydrophobicContact CD1-CD2 4.47Å; L685-L749 HydrophobicContact CG-CD1 4.32Å; M726-L749 HydrophobicContact CE-CD2 3.93Å; M726-L749 HydrophobicContact SD-CD2 4.21Å; F727-L749 HydrophobicContact CE2-CD2 4.44Å; F727-L749 HydrophobicContact CE2-CG 4.2Å; F727-L749 HydrophobicContact CZ-CB 4.34Å; F727-L749 HydrophobicContact CZ-CD2 4.09Å; F727-L749 HydrophobicContact CZ-CG 3.98Å; Q745-L749 VanDerWaalsContact O-CB 3.31Å; Q745-L749 WeakPolarHBondContact O-CB 3.48Å; Q745-L749 PolarHBondContact O-N 3.02Å; Q745-L749 VanDerWaalsContact O-N 3.13Å; S746-L749 PolarHBondContact O-N 3.33Å; Y747-L749 PolarHBondContact O-N 2.95Å; L749-K751 PolarHBondContact O-N 3.11Å; L749-T752 PolarHBondContact O-N 3.4Å; L749-T752 VanDerWaalsContact O-N 3.12Å; L749-M753 HydrophobicContact CD1-CG 3.67Å; L749-M753 HydrophobicContact CD1-SD 3.78Å; L749-M753 HydrophobicContact CG-CG 4.32Å; L749-M753 HydrophobicContact CG-SD 4.02Å; L749-M753 WeakPolarHBondContact O-CG 3.37Å; L749-M753 PolarHBondContact O-N 3Å
750	Q	85.6	Confident	84.6	Confident	12 Å²	12	30.2 Å²	30.2	6%	0.056	16%	0.157	C	C	.	.	H	α-helix	trans	-59.9	-34.8	177.4	-174.8	-178.7	-13.6	0	0	111.7	F723 F727 N739 S746 Y747 P754 Y794	F723-Q750 HydrophobicContact CE2-CG 4.28Å; F723-Q750 HydrophobicContact CZ-CG 4.14Å; F727-Q750 HydrophobicContact CD1-CB 4.37Å; F727-Q750 HydrophobicContact CD1-CG 4.43Å; F727-Q750 HydrophobicContact CE1-CB 3.95Å; F727-Q750 HydrophobicContact CE2-CB 4.21Å; F727-Q750 HydrophobicContact CZ-CB 3.87Å; N739-Q750 PolarHBondContact OD1-NE2 3.42Å; S746-Q750 WeakPolarHBondContact O-CB 3.45Å; S746-Q750 PolarHBondContact O-N 3.12Å; Y747-Q750 PolarHBondContact O-N 3.21Å; Q750-P754 WeakPolarHBondContact O-CD 3.16Å; Q750-Y794 HydrophobicContact CG-CE2 3.95Å; Q750-Y794 PolarHBondContact NE2-OH 3.09Å
751	K	88.6	Confident	84.9	Confident	18 Å²	18	27.9 Å²	27.9	8%	0.078	14%	0.14	C	C	.	.	H	α-helix	trans	-64.6	-44.1	173.1	-173.1	-175.2	-176.8	-156.4	0	112.7	D337 Y747 L749 E797	D337-K751 IonicContact OD1-NZ 3.16Å; D337-K751 PolarHBondContact OD1-NZ 2.97Å; Y747-K751 VanDerWaalsContact O-CB 3.24Å; Y747-K751 WeakPolarHBondContact O-CB 3.32Å; Y747-K751 PolarHBondContact O-N 3.1Å; L749-K751 PolarHBondContact O-N 3.11Å; K751-E797 WeakPolarHBondContact CE-OE1 3.47Å; K751-E797 HydrophobicContact CG-CB 4.15Å; K751-E797 HydrophobicContact CG-CG 4.15Å; K751-E797 IonicContact NZ-OE1 2.74Å; K751-E797 PolarHBondContact NZ-OE1 2.78Å
752	T	88.3	Confident	84.7	Confident	4 Å²	4	30.8 Å²	30.8	3%	0.025	16%	0.156	C	C	.	.	H	α-helix	trans	-85.2	-32.9	-171.8	-51.3	0	0	0	0	113.9	M696 C699 F700 F748 L749 V755 A756	M696-T752 HydrophobicContact CB-CG2 4.08Å; M696-T752 WeakPolarHBondContact CE-OG1 3.48Å; M696-T752 HydrophobicContact CG-CG2 4.26Å; M696-T752 WeakPolarHBondContact CG-OG1 3.4Å; C699-T752 HydrophobicContact CB-CG2 4.37Å; F700-T752 HydrophobicContact CD2-CG2 4.34Å; F700-T752 HydrophobicContact CE1-CG2 4.46Å; F700-T752 HydrophobicContact CE2-CG2 3.55Å; F700-T752 HydrophobicContact CZ-CG2 3.63Å; F748-T752 WeakPolarHBondContact O-CB 3.42Å; F748-T752 PolarHBondContact O-N 3.27Å; F748-T752 VanDerWaalsContact O-N 3.11Å; F748-T752 PolarHBondContact O-OG1 3.38Å; L749-T752 PolarHBondContact O-N 3.4Å; L749-T752 VanDerWaalsContact O-N 3.12Å; T752-V755 PolarHBondContact O-N 2.72Å; T752-A756 PolarHBondContact O-N 3.14Å; T752-A756 VanDerWaalsContact O-N 3.08Å
753	M	87.3	Confident	84.4	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.3	-43.6	-175.6	-76.5	-176.3	76.9	0	0	114.4	L722 F723 M726 F727 L749 V755 A756 M757	L722-M753 HydrophobicContact CB-CE 4.34Å; L722-M753 HydrophobicContact CD2-CE 4.19Å; L722-M753 HydrophobicContact CG-CE 4.01Å; F723-M753 HydrophobicContact CB-CE 3.9Å; F723-M753 HydrophobicContact CD2-CB 3.91Å; F723-M753 HydrophobicContact CD2-CE 4.2Å; F723-M753 HydrophobicContact CD2-SD 4.03Å; F723-M753 HydrophobicContact CE2-CB 4.32Å; M726-M753 HydrophobicContact CE-CE 3.93Å; M726-M753 HydrophobicContact CE-SD 3.45Å; M726-M753 WeakPolarHBondContact CE-SD 3.06Å; F727-M753 HydrophobicContact CE2-SD 3.89Å; L749-M753 HydrophobicContact CD1-CG 3.67Å; L749-M753 HydrophobicContact CD1-SD 3.78Å; L749-M753 HydrophobicContact CG-CG 4.32Å; L749-M753 HydrophobicContact CG-SD 4.02Å; L749-M753 WeakPolarHBondContact O-CG 3.37Å; L749-M753 PolarHBondContact O-N 3Å; M753-V755 VanDerWaalsContact C-N 3.34Å; M753-V755 PolarHBondContact O-N 2.93Å; M753-A756 PolarHBondContact O-N 3.5Å; M753-M757 WeakPolarHBondContact O-CG 3.42Å; M753-M757 PolarHBondContact O-N 2.92Å
754	P	88.1	Confident	83.8	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.013	17%	0.171	C	C	.	.	H	α-helix	trans	-60.7	-40.2	176.7	-25	35.6	0	0	0	113.1	F723 Q750 M757 A758 L778 A801	F723-P754 HydrophobicContact CE2-CG 4.31Å; Q750-P754 WeakPolarHBondContact O-CD 3.16Å; P754-M757 PolarHBondContact O-N 3.1Å; P754-A758 WeakPolarHBondContact O-CB 3.43Å; P754-A758 PolarHBondContact O-N 2.96Å; P754-L778 HydrophobicContact CG-CD1 4.05Å; P754-A801 HydrophobicContact CB-CB 4.16Å
755	V	89.3	Confident	83.4	Confident	10 Å²	10	35 Å²	35	6%	0.061	18%	0.18	C	C	.	.	H	α-helix	trans	-64.2	-43.6	177.8	-170.3	0	0	0	0	110.8	F700 T752 M753 A758 L759 E797 A801	F700-V755 HydrophobicContact CE1-CB 4.46Å; F700-V755 HydrophobicContact CE1-CG1 4.14Å; F700-V755 HydrophobicContact CZ-CG1 4.5Å; T752-V755 PolarHBondContact O-N 2.72Å; M753-V755 VanDerWaalsContact C-N 3.34Å; M753-V755 PolarHBondContact O-N 2.93Å; V755-A758 PolarHBondContact O-N 2.9Å; V755-L759 PolarHBondContact O-N 3.5Å; V755-E797 HydrophobicContact CG2-CB 4.06Å; V755-E797 WeakPolarHBondContact CG2-O 3.29Å; V755-A801 HydrophobicContact CG2-CB 4.22Å
756	A	86.7	Confident	82.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.9	-37.8	175.4	0	0	0	0	0	112.7	C699 F700 A703 M719 T752 M753 L759	C699-A756 HydrophobicContact CB-CB 3.65Å; F700-A756 HydrophobicContact CD1-CB 4.14Å; F700-A756 HydrophobicContact CE1-CB 4.35Å; A703-A756 VanDerWaalsContact CB-O 3.28Å; A703-A756 WeakPolarHBondContact CB-O 3.43Å; M719-A756 HydrophobicContact CE-CB 3.95Å; T752-A756 PolarHBondContact O-N 3.14Å; T752-A756 VanDerWaalsContact O-N 3.08Å; M753-A756 PolarHBondContact O-N 3.5Å; A756-L759 PolarHBondContact O-N 3.26Å
757	M	84.4	Confident	82.5	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.9	-40.1	173.2	-73.3	179.1	65.2	0	0	111.7	M719 K720 M753 P754 L759 L760 V771 F774	M719-M757 HydrophobicContact CB-CE 4.44Å; M719-M757 HydrophobicContact CB-CG 3.77Å; M719-M757 HydrophobicContact CB-SD 4.07Å; M719-M757 HydrophobicContact CE-CG 3.81Å; M719-M757 HydrophobicContact SD-CG 4.23Å; K720-M757 HydrophobicContact CB-CE 4.04Å; M753-M757 WeakPolarHBondContact O-CG 3.42Å; M753-M757 PolarHBondContact O-N 2.92Å; P754-M757 PolarHBondContact O-N 3.1Å; M757-L759 PolarHBondContact O-N 3.03Å; M757-L760 HydrophobicContact CB-CD1 4.48Å; M757-L760 WeakPolarHBondContact O-CB 3.47Å; M757-L760 WeakPolarHBondContact O-CG 3.33Å; M757-L760 PolarHBondContact O-N 3.46Å; M757-V771 HydrophobicContact CB-CG1 3.95Å; M757-V771 WeakPolarHBondContact O-CG1 3.41Å; M757-F774 HydrophobicContact CE-CD1 3.6Å; M757-F774 HydrophobicContact CE-CE1 3.78Å; M757-F774 HydrophobicContact SD-CD1 4.32Å; M757-F774 HydrophobicContact SD-CE1 4.02Å
758	A	85.9	Confident	82	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.2	-21.3	176.8	0	0	0	0	0	114.1	P754 V755 L760 R761 I775 A801 N804	P754-A758 WeakPolarHBondContact O-CB 3.43Å; P754-A758 PolarHBondContact O-N 2.96Å; V755-A758 PolarHBondContact O-N 2.9Å; A758-L760 VanDerWaalsContact C-N 3.29Å; A758-R761 PolarHBondContact O-NH1 3.06Å; A758-I775 HydrophobicContact CB-CD1 3.99Å; A758-A801 HydrophobicContact CB-CB 4.02Å; A758-A801 WeakPolarHBondContact CB-O 3.46Å; A758-N804 HydrophobicContact CB-CB 4.06Å; A758-N804 CarbonylContact O-C 3.6Å; A758-N804 VanDerWaalsContact O-O 3.09Å
759	L	85.5	Confident	81.7	Confident	58 Å²	58	40.6 Å²	40.6	30%	0.304	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-6.1	173.2	-66.9	170.9	0	0	0	113.4	F700 A703 N707 V755 A756 M757 N804	F700-L759 HydrophobicContact CD1-CD1 3.86Å; F700-L759 HydrophobicContact CE1-CD1 4.13Å; A703-L759 HydrophobicContact CB-CB 4.3Å; N707-L759 PolarHBondContact ND2-O 3.02Å; V755-L759 PolarHBondContact O-N 3.5Å; A756-L759 PolarHBondContact O-N 3.26Å; M757-L759 PolarHBondContact O-N 3.03Å; L759-N804 HydrophobicContact CD2-CB 4.17Å
760	L	82.3	Confident	81.3	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.01	23%	0.226	C	C	.	.			trans	-65.9	140.9	176.5	-65.5	173.1	0	0	0	111.8	A703 A706 N707 M719 M757 A758 P768 V771	A703-L760 HydrophobicContact CB-CD2 4.27Å; A706-L760 HydrophobicContact CB-CD2 3.41Å; A706-L760 VanDerWaalsContact CB-CD2 3.41Å; N707-L760 VanDerWaalsContact OD1-CA 3.31Å; N707-L760 WeakPolarHBondContact OD1-CA 3.49Å; M719-L760 HydrophobicContact SD-CD1 3.94Å; M719-L760 HydrophobicContact SD-CD2 4.01Å; M719-L760 HydrophobicContact SD-CG 4.26Å; M757-L760 HydrophobicContact CB-CD1 4.48Å; M757-L760 WeakPolarHBondContact O-CB 3.47Å; M757-L760 WeakPolarHBondContact O-CG 3.33Å; M757-L760 PolarHBondContact O-N 3.46Å; A758-L760 VanDerWaalsContact C-N 3.29Å; L760-P768 WeakPolarHBondContact O-CD 3.47Å; L760-V771 HydrophobicContact CD1-CG2 4.21Å
761	R	79.4	Confident	81.2	Confident	54 Å²	54	44.6 Å²	44.6	20%	0.204	22%	0.224	C	C	.	.			trans	-133.1	141	178.9	-59.9	-63.1	179.3	-99.7	7.1	110.7	N707 A758 N765 L766 N804	N707-R761 PolarHBondContact OD1-N 3.04Å; A758-R761 PolarHBondContact O-NH1 3.06Å; R761-N765 WeakPolarHBondContact CD-O 3.38Å; R761-L766 WeakPolarHBondContact CA-O 3.23Å; R761-N804 PolarHBondContact NH2-O 3.36Å
762	D	75	Confident	80.9	Confident	61 Å²	61	44.5 Å²	44.5	33%	0.326	23%	0.225	S	C	.	.			trans	-87.8	176.6	174.6	-161.2	5.5	0	0	0	111.4	H764 N765 L766 P768	D762-H764 PolarHBondContact O-N 3.34Å; D762-N765 WeakPolarHBondContact O-CA 3.43Å; D762-N765 PolarHBondContact O-N 3Å; D762-L766 PolarHBondContact N-O 2.84Å; D762-P768 HydrophobicContact CB-CG 4.34Å
763	V	71.4	Confident	80.8	Confident	94 Å²	94	48 Å²	48	57%	0.57	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-30.9	-178.1	-175.9	0	0	0	0	112.1	V710 N765	V710-V763 HydrophobicContact CB-CG2 4.13Å; V710-V763 HydrophobicContact CG1-CG2 3.67Å; V763-N765 VanDerWaalsContact C-N 3.25Å; V763-N765 PolarHBondContact O-N 2.91Å
764	H	70.7	Confident	80.7	Confident	144 Å²	144	48.6 Å²	48.6	67%	0.667	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	12.2	176.7	-58	-68.2	0	0	0	114.1	D762 L766	D762-H764 PolarHBondContact O-N 3.34Å; H764-L766 HydrophobicContact CB-CD1 4.17Å; H764-L766 HydrophobicContact CB-CG 4.16Å; H764-L766 PolarHBondContact O-N 2.99Å; H764-L766 VanDerWaalsContact O-N 3.11Å
765	N	73.2	Confident	80.7	Confident	121 Å²	121	48.5 Å²	48.5	65%	0.647	25%	0.248	S	C	*	.	S	Bend	trans	56.7	14.6	-170.7	-73.6	-58.3	0	0	0	115.3	R761 D762 V763 T807	R761-N765 WeakPolarHBondContact CD-O 3.38Å; D762-N765 WeakPolarHBondContact O-CA 3.43Å; D762-N765 PolarHBondContact O-N 3Å; V763-N765 VanDerWaalsContact C-N 3.25Å; V763-N765 PolarHBondContact O-N 2.91Å; N765-T807 VanDerWaalsContact O-CG2 3.23Å; N765-T807 WeakPolarHBondContact O-CG2 3.38Å
766	L	74.1	Confident	80.5	Confident	97 Å²	97	48.4 Å²	48.4	51%	0.508	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-84.4	148.1	174.9	-62.2	174.6	0	0	0	110.8	R761 D762 H764 T807	R761-L766 WeakPolarHBondContact CA-O 3.23Å; D762-L766 PolarHBondContact N-O 2.84Å; H764-L766 HydrophobicContact CB-CD1 4.17Å; H764-L766 HydrophobicContact CB-CG 4.16Å; H764-L766 PolarHBondContact O-N 2.99Å; H764-L766 VanDerWaalsContact O-N 3.11Å; L766-T807 HydrophobicContact CD2-CG2 4.12Å
767	C	75	Confident	80.4	Confident	19 Å²	19	50.6 Å²	50.6	13%	0.128	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-69.1	130.2	165.9	-168.2	0	0	0	0	110.1	K769 S805 T807	C767-K769 PolarHBondContact O-N 2.85Å; C767-S805 WeakPolarHBondContact CB-O 3.31Å; C767-T807 PolarHBondContact N-OG1 3.39Å; C767-T807 VanDerWaalsContact N-OG1 3.15Å
768	P	77.4	Confident	80.4	Confident	16 Å²	16	50.7 Å²	50.7	10%	0.104	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-62.5	127.2	-179	-24	33.9	0	0	0	112.5	P716 L760 D762 E770 V771 L772	P716-P768 HydrophobicContact CG-CB 3.49Å; P716-P768 VanDerWaalsContact CG-CB 3.49Å; P716-P768 HydrophobicContact CG-CG 3.75Å; L760-P768 WeakPolarHBondContact O-CD 3.47Å; D762-P768 HydrophobicContact CB-CG 4.34Å; P768-E770 PolarHBondContact O-N 3.23Å; P768-E770 VanDerWaalsContact O-N 3.09Å; P768-V771 HydrophobicContact CB-CG2 4.28Å; P768-V771 WeakPolarHBondContact O-CB 3.36Å; P768-V771 PolarHBondContact O-N 3.46Å; P768-L772 PolarHBondContact O-N 3.3Å
769	K	79.4	Confident	80.4	Confident	132 Å²	132	51.2 Å²	51.2	57%	0.574	26%	0.262	S	S	*	.	H	α-helix	trans	-53.3	-35.6	-177.6	-75.2	-179.8	175.8	-85.9	0	113.6	C767 V771 L772 T773 D825	C767-K769 PolarHBondContact O-N 2.85Å; K769-V771 PolarHBondContact O-N 2.82Å; K769-L772 PolarHBondContact O-N 3.03Å; K769-T773 PolarHBondContact O-N 2.83Å; K769-T773 PolarHBondContact O-OG1 3.38Å; K769-T773 VanDerWaalsContact O-OG1 3.1Å; K769-D825 VanDerWaalsContact NZ-CG 3.32Å; K769-D825 IonicContact NZ-OD1 3.25Å; K769-D825 PolarHBondContact NZ-OD1 3.31Å; K769-D825 IonicContact NZ-OD2 2.64Å; K769-D825 PolarHBondContact NZ-OD2 3.12Å
770	E	80.4	Confident	80.3	Confident	103 Å²	103	53.7 Å²	53.7	48%	0.481	27%	0.27	S	S	.	.	H	α-helix	trans	-55.6	-32.5	174.2	-82.5	-157.4	-129.9	0	0	114.5	P716 K720 P768 F774	P716-E770 HydrophobicContact CB-CB 4.39Å; K720-E770 IonicContact NZ-OE2 3.36Å; K720-E770 PolarHBondContact NZ-OE2 3.43Å; P768-E770 PolarHBondContact O-N 3.23Å; P768-E770 VanDerWaalsContact O-N 3.09Å; E770-F774 WeakPolarHBondContact O-CB 3.48Å; E770-F774 PolarHBondContact O-N 2.98Å; E770-F774 VanDerWaalsContact O-N 3.15Å
771	V	82.6	Confident	80.2	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-77.4	-44	179.3	175.6	0	0	0	0	110	P716 M757 L760 P768 K769 F774 I775	P716-V771 HydrophobicContact CB-CG2 4.22Å; M757-V771 HydrophobicContact CB-CG1 3.95Å; M757-V771 WeakPolarHBondContact O-CG1 3.41Å; L760-V771 HydrophobicContact CD1-CG2 4.21Å; P768-V771 HydrophobicContact CB-CG2 4.28Å; P768-V771 WeakPolarHBondContact O-CB 3.36Å; P768-V771 PolarHBondContact O-N 3.46Å; K769-V771 PolarHBondContact O-N 2.82Å; V771-F774 PolarHBondContact O-N 2.65Å; V771-I775 HydrophobicContact CG1-CD1 3.9Å; V771-I775 WeakPolarHBondContact O-CG1 3.43Å; V771-I775 PolarHBondContact O-N 2.88Å
772	L	83.1	Confident	80.2	Confident	17 Å²	17	58.9 Å²	58.9	9%	0.089	29%	0.293	C	S	.	.	H	α-helix	trans	-61.3	-50.5	175.5	177.1	59.7	0	0	0	111.1	P768 K769 F774 I775 L776 L802 D825 I829	P768-L772 PolarHBondContact O-N 3.3Å; K769-L772 PolarHBondContact O-N 3.03Å; L772-F774 PolarHBondContact O-N 3.09Å; L772-I775 PolarHBondContact O-N 2.97Å; L772-I775 VanDerWaalsContact O-N 3.15Å; L772-L776 HydrophobicContact CD1-CD1 4.08Å; L772-L776 HydrophobicContact CD1-CG 4.1Å; L772-L776 HydrophobicContact CG-CD1 3.97Å; L772-L776 HydrophobicContact CG-CG 4.43Å; L772-L776 VanDerWaalsContact O-CG 3.3Å; L772-L776 WeakPolarHBondContact O-CG 3.36Å; L772-L776 PolarHBondContact O-N 2.92Å; L772-L802 HydrophobicContact CD1-CD2 3.84Å; L772-D825 HydrophobicContact CD2-CB 3.7Å; L772-I829 HydrophobicContact CD1-CD1 3.87Å; L772-I829 HydrophobicContact CD1-CG1 4.04Å; L772-I829 HydrophobicContact CD2-CD1 4.34Å
773	T	85.8	Confident	80.3	Confident	76 Å²	76	58.8 Å²	58.8	47%	0.466	29%	0.292	S	S	.	.	H	α-helix	trans	-55.9	-42.4	175.8	-53.4	0	0	0	0	111.2	K769 L776 D777	K769-T773 PolarHBondContact O-N 2.83Å; K769-T773 PolarHBondContact O-OG1 3.38Å; K769-T773 VanDerWaalsContact O-OG1 3.1Å; T773-L776 PolarHBondContact O-N 2.87Å; T773-D777 WeakPolarHBondContact O-CB 3.35Å; T773-D777 VanDerWaalsContact O-CG 3.3Å; T773-D777 PolarHBondContact O-N 3.46Å
774	F	85.3	Confident	80.5	Confident	14 Å²	14	55.5 Å²	55.5	6%	0.061	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-42	177.3	-178.4	-110.9	0	0	0	113.1	K720 F723 M757 E770 V771 L772 D777 L778	K720-F774 HydrophobicContact CG-CD2 4.3Å; K720-F774 HydrophobicContact CG-CE2 4.32Å; K720-F774 HydrophobicContact CG-CG 4.48Å; F723-F774 HydrophobicContact CB-CE1 4.44Å; F723-F774 HydrophobicContact CB-CZ 4.23Å; F723-F774 HydrophobicContact CD1-CE1 4.24Å; F723-F774 AromaticContact CD1-CZ 3.63Å; F723-F774 HydrophobicContact CD1-CZ 3.63Å; F723-F774 HydrophobicContact CE1-CZ 4.22Å; F723-F774 HydrophobicContact CG-CE1 4.25Å; F723-F774 HydrophobicContact CG-CZ 4.02Å; M757-F774 HydrophobicContact CE-CD1 3.6Å; M757-F774 HydrophobicContact CE-CE1 3.78Å; M757-F774 HydrophobicContact SD-CD1 4.32Å; M757-F774 HydrophobicContact SD-CE1 4.02Å; E770-F774 WeakPolarHBondContact O-CB 3.48Å; E770-F774 PolarHBondContact O-N 2.98Å; E770-F774 VanDerWaalsContact O-N 3.15Å; V771-F774 PolarHBondContact O-N 2.65Å; L772-F774 PolarHBondContact O-N 3.09Å; F774-D777 PolarHBondContact O-N 3.29Å; F774-L778 HydrophobicContact CD1-CD1 4.21Å; F774-L778 HydrophobicContact CD1-CG 4.47Å; F774-L778 HydrophobicContact CE1-CD1 3.85Å; F774-L778 HydrophobicContact CE1-CD2 4.45Å; F774-L778 HydrophobicContact CE1-CG 4.23Å; F774-L778 HydrophobicContact CE2-CD2 4.37Å; F774-L778 HydrophobicContact CZ-CD1 4.31Å; F774-L778 HydrophobicContact CZ-CD2 4.08Å; F774-L778 HydrophobicContact CZ-CG 4.31Å; F774-L778 WeakPolarHBondContact O-CG 3.38Å; F774-L778 PolarHBondContact O-N 2.96Å
775	I	87.1	Confident	80.9	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.6	-41	176.8	-64.3	164.6	0	0	0	110.8	A758 V771 L772 D777 L778 I779 A801 L802	A758-I775 HydrophobicContact CB-CD1 3.99Å; V771-I775 HydrophobicContact CG1-CD1 3.9Å; V771-I775 WeakPolarHBondContact O-CG1 3.43Å; V771-I775 PolarHBondContact O-N 2.88Å; L772-I775 PolarHBondContact O-N 2.97Å; L772-I775 VanDerWaalsContact O-N 3.15Å; I775-D777 VanDerWaalsContact C-N 3.32Å; I775-D777 PolarHBondContact O-N 2.91Å; I775-L778 WeakPolarHBondContact O-CB 3.34Å; I775-L778 PolarHBondContact O-N 3.22Å; I775-I779 HydrophobicContact CG2-CD1 4.03Å; I775-I779 WeakPolarHBondContact O-CG1 3.37Å; I775-I779 PolarHBondContact O-N 3.36Å; I775-A801 HydrophobicContact CD1-CB 4.29Å; I775-L802 HydrophobicContact CB-CD2 4.26Å; I775-L802 HydrophobicContact CG2-CD2 3.59Å; I775-L802 HydrophobicContact CG2-CG 4.07Å
776	L	86	Confident	81.1	Confident	8 Å²	8	61.4 Å²	61.4	4%	0.042	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-39	173.7	-63.5	169.2	0	0	0	111.4	L772 T773 I779 K780 L802 L828 E832	L772-L776 HydrophobicContact CD1-CD1 4.08Å; L772-L776 HydrophobicContact CD1-CG 4.1Å; L772-L776 HydrophobicContact CG-CD1 3.97Å; L772-L776 HydrophobicContact CG-CG 4.43Å; L772-L776 VanDerWaalsContact O-CG 3.3Å; L772-L776 WeakPolarHBondContact O-CG 3.36Å; L772-L776 PolarHBondContact O-N 2.92Å; T773-L776 PolarHBondContact O-N 2.87Å; L776-I779 PolarHBondContact O-N 2.99Å; L776-K780 WeakPolarHBondContact O-CB 3.26Å; L776-K780 VanDerWaalsContact O-CD 3.32Å; L776-K780 WeakPolarHBondContact O-CD 3.32Å; L776-K780 WeakPolarHBondContact O-CG 3.26Å; L776-K780 PolarHBondContact O-N 2.85Å; L776-L802 HydrophobicContact CD2-CD1 4.44Å; L776-L802 HydrophobicContact CD2-CD2 3.86Å; L776-L802 HydrophobicContact CG-CD2 4.34Å; L776-L828 HydrophobicContact CD1-CB 4.47Å; L776-L828 HydrophobicContact CD1-CD1 4.38Å; L776-E832 VanDerWaalsContact CD2-CD 3.48Å; L776-E832 HydrophobicContact CD2-CG 4.46Å; L776-E832 WeakPolarHBondContact CD2-OE1 3.24Å; L776-E832 WeakPolarHBondContact CD2-OE2 3.49Å
777	D	85.4	Confident	81.5	Confident	45 Å²	45	57.9 Å²	57.9	24%	0.241	27%	0.265	C	S	.	.	H	α-helix	trans	-66.4	-42.1	174.2	-74.5	-24.5	0	0	0	112	T773 F774 I775 I779 K780 Y781	T773-D777 WeakPolarHBondContact O-CB 3.35Å; T773-D777 VanDerWaalsContact O-CG 3.3Å; T773-D777 PolarHBondContact O-N 3.46Å; F774-D777 PolarHBondContact O-N 3.29Å; I775-D777 VanDerWaalsContact C-N 3.32Å; I775-D777 PolarHBondContact O-N 2.91Å; D777-I779 VanDerWaalsContact C-N 3.27Å; D777-I779 PolarHBondContact O-N 3.24Å; D777-K780 PolarHBondContact O-N 2.88Å; D777-Y781 HydrophobicContact CB-CD2 4.04Å; D777-Y781 HydrophobicContact CB-CE2 4.03Å; D777-Y781 WeakPolarHBondContact O-CD2 3.19Å; D777-Y781 PolarHBondContact O-N 2.88Å
778	L	84.1	Confident	81.8	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.016	29%	0.293	C	S	.	.	H	α-helix	trans	-56.6	-42.6	172.5	-68.9	179.8	0	0	0	111.2	F723 V736 P754 F774 I775 N782 M798	F723-L778 HydrophobicContact CD1-CD2 4.46Å; F723-L778 HydrophobicContact CE1-CD1 4.4Å; F723-L778 HydrophobicContact CE1-CD2 3.62Å; F723-L778 HydrophobicContact CE2-CD1 4.49Å; F723-L778 HydrophobicContact CZ-CD1 4.09Å; F723-L778 HydrophobicContact CZ-CD2 3.93Å; V736-L778 HydrophobicContact CG2-CD2 3.4Å; V736-L778 VanDerWaalsContact CG2-CD2 3.4Å; P754-L778 HydrophobicContact CG-CD1 4.05Å; F774-L778 HydrophobicContact CD1-CD1 4.21Å; F774-L778 HydrophobicContact CD1-CG 4.47Å; F774-L778 HydrophobicContact CE1-CD1 3.85Å; F774-L778 HydrophobicContact CE1-CD2 4.45Å; F774-L778 HydrophobicContact CE1-CG 4.23Å; F774-L778 HydrophobicContact CE2-CD2 4.37Å; F774-L778 HydrophobicContact CZ-CD1 4.31Å; F774-L778 HydrophobicContact CZ-CD2 4.08Å; F774-L778 HydrophobicContact CZ-CG 4.31Å; F774-L778 WeakPolarHBondContact O-CG 3.38Å; F774-L778 PolarHBondContact O-N 2.96Å; I775-L778 WeakPolarHBondContact O-CB 3.34Å; I775-L778 PolarHBondContact O-N 3.22Å; L778-N782 WeakPolarHBondContact O-CB 3.45Å; L778-N782 PolarHBondContact O-N 3.36Å; L778-M798 HydrophobicContact CB-SD 4.29Å
779	I	85.9	Confident	82.2	Confident	10 Å²	10	65.9 Å²	65.9	5%	0.051	30%	0.296	C	S	.	.	H	α-helix	trans	-68.8	-36.4	179.1	-71.6	167	0	0	0	112.2	I775 L776 D777 M798 L802 E832 F836	I775-I779 HydrophobicContact CG2-CD1 4.03Å; I775-I779 WeakPolarHBondContact O-CG1 3.37Å; I775-I779 PolarHBondContact O-N 3.36Å; L776-I779 PolarHBondContact O-N 2.99Å; D777-I779 VanDerWaalsContact C-N 3.27Å; D777-I779 PolarHBondContact O-N 3.24Å; I779-M798 HydrophobicContact CD1-CB 4.15Å; I779-M798 HydrophobicContact CG1-CB 4.02Å; I779-M798 HydrophobicContact CG1-CE 4.35Å; I779-M798 HydrophobicContact CG1-CG 4.49Å; I779-M798 HydrophobicContact CG1-SD 3.88Å; I779-L802 HydrophobicContact CD1-CD1 3.6Å; I779-L802 HydrophobicContact CD1-CD2 4.23Å; I779-L802 HydrophobicContact CD1-CG 3.86Å; I779-E832 WeakPolarHBondContact CG2-OE2 3.43Å; I779-F836 HydrophobicContact CG2-CE2 3.84Å; I779-F836 HydrophobicContact CG2-CZ 3.72Å
780	K	82.7	Confident	82.5	Confident	110 Å²	110	60.7 Å²	60.7	48%	0.478	28%	0.277	S	S	.	.	H	α-helix	trans	-75.8	-38.1	179.7	-71.7	161.5	-166	170.3	0	113.1	L776 D777 E832	L776-K780 WeakPolarHBondContact O-CB 3.26Å; L776-K780 VanDerWaalsContact O-CD 3.32Å; L776-K780 WeakPolarHBondContact O-CD 3.32Å; L776-K780 WeakPolarHBondContact O-CG 3.26Å; L776-K780 PolarHBondContact O-N 2.85Å; D777-K780 PolarHBondContact O-N 2.88Å; K780-E832 WeakPolarHBondContact CE-OE1 3.31Å; K780-E832 IonicContact NZ-OE1 2.71Å
781	Y	80.5	Confident	82.8	Confident	130 Å²	130	56.2 Å²	56.2	51%	0.51	26%	0.256	S	S	.	.	S	Bend	trans	-97.7	12.2	-176.4	-57.1	-60.4	0	0	0	114.3	D777 D783	D777-Y781 HydrophobicContact CB-CD2 4.04Å; D777-Y781 HydrophobicContact CB-CE2 4.03Å; D777-Y781 WeakPolarHBondContact O-CD2 3.19Å; D777-Y781 PolarHBondContact O-N 2.88Å; Y781-D783 PolarHBondContact O-N 2.92Å
782	N	79.4	Confident	83	Confident	36 Å²	36	57.4 Å²	57.4	19%	0.193	26%	0.262	C	S	.	.			trans	-68.4	90.8	177.1	-179.6	39.7	0	0	0	112.7	N739 L778 D791	N739-N782 PolarHBondContact ND2-OD1 2.78Å; L778-N782 WeakPolarHBondContact O-CB 3.45Å; L778-N782 PolarHBondContact O-N 3.36Å; N782-D791 PolarHBondContact ND2-OD2 3.27Å
783	D	77.5	Confident	83.2	Confident	58 Å²	58	57.7 Å²	57.7	31%	0.31	26%	0.262	S	S	.	.			trans	-91.7	106.6	169.8	-177	19.8	0	0	0	112.3	T738 N739 Y781 R785	T738-D783 HydrophobicContact CG2-CB 4.48Å; N739-D783 PolarHBondContact N-O 3.22Å; Y781-D783 PolarHBondContact O-N 2.92Å; D783-R785 WeakPolarHBondContact OD1-CB 3.48Å; D783-R785 WeakPolarHBondContact OD1-CD 3.34Å; D783-R785 WeakPolarHBondContact OD1-CG 3.48Å; D783-R785 PolarHBondContact OD1-N 3.1Å
784	N	75.8	Confident	83.4	Confident	25 Å²	25	54.2 Å²	54.2	13%	0.134	24%	0.241	C	C	.	.			trans	-97.8	2.8	174.7	-153.7	42.8	0	0	0	113.9	K786 N787 F789 D791	N784-K786 PolarHBondContact O-N 3.38Å; N784-N787 WeakPolarHBondContact O-CB 3.25Å; N784-N787 PolarHBondContact O-N 2.96Å; N784-N787 WeakPolarHBondContact OD1-CB 3.36Å; N784-N787 PolarHBondContact OD1-ND2 2.84Å; N784-F789 PolarHBondContact ND2-O 2.92Å; N784-D791 WeakPolarHBondContact ND2-CB 3.41Å; N784-D791 PolarHBondContact ND2-OD1 2.92Å
785	R	77.9	Confident	83.6	Confident	233 Å²	233	56.2 Å²	56.2	88%	0.879	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.1	-169.6	-70.6	169	177.3	-166.9	-0.2	115.7	D783	D783-R785 WeakPolarHBondContact OD1-CB 3.48Å; D783-R785 WeakPolarHBondContact OD1-CD 3.34Å; D783-R785 WeakPolarHBondContact OD1-CG 3.48Å; D783-R785 PolarHBondContact OD1-N 3.1Å
786	K	78.1	Confident	83.7	Confident	156 Å²	156	56.3 Å²	56.3	68%	0.678	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-9.2	178.9	-62.5	-177.5	-173.4	170.3	0	113.7	T738 N784	T738-K786 HydrophobicContact CG2-CD 4.15Å; N784-K786 PolarHBondContact O-N 3.38Å
787	N	81.5	Confident	83.9	Confident	24 Å²	24	58.8 Å²	58.8	13%	0.128	26%	0.26	C	S	.	.			trans	-91.2	137.9	-167.3	-147.7	0.5	0	0	0	109.9	N739 F741 N784 F789	N739-N787 WeakPolarHBondContact CB-ND2 3.43Å; F741-N787 WeakPolarHBondContact CD2-ND2 3.41Å; F741-N787 WeakPolarHBondContact CE2-ND2 3.5Å; F741-N787 VanDerWaalsContact CG-ND2 3.27Å; F741-N787 WeakPolarHBondContact CG-ND2 3.49Å; F741-N787 PolarHBondContact N-OD1 3.15Å; F741-N787 VanDerWaalsContact N-OD1 3.1Å; N784-N787 WeakPolarHBondContact O-CB 3.25Å; N784-N787 PolarHBondContact O-N 2.96Å; N784-N787 WeakPolarHBondContact OD1-CB 3.36Å; N784-N787 PolarHBondContact OD1-ND2 2.84Å; N787-F789 VanDerWaalsContact C-N 3.31Å
788	K	82.1	Confident	84.1	Confident	164 Å²	164	56.7 Å²	56.7	71%	0.713	25%	0.249	S	C	*	.	S	Bend	trans	-83.6	-10	178.8	-63.2	-173.9	179.8	179.8	0	113.4	M742	M742-K788 HydrophobicContact CE-CB 3.87Å; M742-K788 HydrophobicContact CE-CD 3.93Å; M742-K788 HydrophobicContact CE-CG 4.06Å
789	F	85.3	Confident	84.4	Confident	39 Å²	39	56.5 Å²	56.5	17%	0.171	25%	0.248	C	C	.	.	S	Bend	trans	-109.6	148.9	-176.7	-62.3	-72.7	0	0	0	110.8	A333 I336 F741 M742 N784 N787	A333-F789 WeakPolarHBondContact O-CD1 3.22Å; A333-F789 WeakPolarHBondContact O-CE1 3.43Å; I336-F789 HydrophobicContact CD1-CB 4.12Å; I336-F789 HydrophobicContact CD1-CD1 4.02Å; I336-F789 HydrophobicContact CD1-CD2 4.12Å; I336-F789 HydrophobicContact CD1-CE1 4.45Å; I336-F789 HydrophobicContact CD1-CG 3.85Å; I336-F789 HydrophobicContact CG1-CD1 3.81Å; I336-F789 HydrophobicContact CG1-CE1 4.15Å; I336-F789 HydrophobicContact CG1-CG 4.15Å; F741-F789 HydrophobicContact CB-CB 4.23Å; F741-F789 HydrophobicContact CB-CD2 3.89Å; F741-F789 HydrophobicContact CB-CG 4.41Å; F741-F789 HydrophobicContact CD2-CB 4.01Å; M742-F789 HydrophobicContact CE-CD2 3.9Å; M742-F789 HydrophobicContact CE-CE2 3.42Å; M742-F789 VanDerWaalsContact CE-CE2 3.42Å; M742-F789 HydrophobicContact CE-CZ 4.26Å; M742-F789 HydrophobicContact SD-CE2 3.74Å; M742-F789 HydrophobicContact SD-CZ 4.42Å; N784-F789 PolarHBondContact ND2-O 2.92Å; N787-F789 VanDerWaalsContact C-N 3.31Å
790	S	85.2	Confident	84.5	Confident	23 Å²	23	57.4 Å²	57.4	16%	0.161	25%	0.253	C	S	.	.			trans	-70.1	142	176.1	65.5	0	0	0	0	111.4	M334	M334-S790 WeakPolarHBondContact O-CB 3.39Å; M334-S790 PolarHBondContact O-N 3.29Å; M334-S790 PolarHBondContact O-OG 3.28Å
791	D	86.9	Confident	84.8	Confident	8 Å²	8	52.1 Å²	52.1	4%	0.043	23%	0.23	C	C	.	.			trans	-99.7	20.7	176.8	61.3	-41.9	0	0	0	113	F741 N782 N784 Y793 Y794 R795	F741-D791 HydrophobicContact CE2-CB 3.81Å; F741-D791 HydrophobicContact CZ-CB 4.11Å; N782-D791 PolarHBondContact ND2-OD2 3.27Å; N784-D791 WeakPolarHBondContact ND2-CB 3.41Å; N784-D791 PolarHBondContact ND2-OD1 2.92Å; D791-Y793 PolarHBondContact O-N 3.15Å; D791-Y794 HydrophobicContact CB-CD1 4.49Å; D791-Y794 WeakPolarHBondContact O-CB 3.5Å; D791-Y794 PolarHBondContact O-N 3.28Å; D791-Y794 VanDerWaalsContact O-N 3.16Å; D791-R795 VanDerWaalsContact CG-NE 3.31Å; D791-R795 VanDerWaalsContact CG-NH2 3.25Å; D791-R795 WeakPolarHBondContact O-CG 3.28Å; D791-R795 PolarHBondContact O-N 3.21Å; D791-R795 IonicContact OD1-CZ 3.75Å; D791-R795 IonicContact OD1-NE 2.81Å; D791-R795 IonicContact OD1-NH2 2.66Å; D791-R795 PolarHBondContact OD1-NH2 2.6Å; D791-R795 IonicContact OD2-CZ 3.46Å; D791-R795 VanDerWaalsContact OD2-CZ 3.23Å; D791-R795 IonicContact OD2-NE 3.16Å; D791-R795 PolarHBondContact OD2-NE 3.31Å; D791-R795 IonicContact OD2-NH2 3.6Å; D791-R795 PolarHBondContact OD2-NH2 3.39Å
792	N	88.2	Confident	85.2	Confident	27 Å²	27	46 Å²	46	14%	0.144	21%	0.206	C	C	.	.	H	α-helix	trans	-58.3	-51.9	-174.8	-63	-21.9	0	0	0	112.6	Y794 R795 A796	N792-Y794 VanDerWaalsContact C-N 3.3Å; N792-Y794 PolarHBondContact O-N 3.22Å; N792-R795 PolarHBondContact O-N 3.34Å; N792-A796 WeakPolarHBondContact O-CB 3.36Å; N792-A796 PolarHBondContact O-N 3.25Å
793	Y	87.7	Confident	85.4	Confident	22 Å²	22	44.4 Å²	44.4	9%	0.086	20%	0.198	C	C	.	.	H	α-helix	trans	-69.7	-26.8	178.1	-67.2	-98.3	0	0	0	112.3	I335 D337 E338 D791 E797 Y846 T849	I335-Y793 HydrophobicContact CG2-CE2 3.84Å; D337-Y793 HydrophobicContact CB-CD1 4.08Å; D337-Y793 HydrophobicContact CB-CD2 4.28Å; D337-Y793 HydrophobicContact CB-CE1 4.1Å; D337-Y793 HydrophobicContact CB-CE2 4.36Å; D337-Y793 HydrophobicContact CB-CG 4.17Å; E338-Y793 WeakPolarHBondContact CG-OH 3.07Å; E338-Y793 PolarHBondContact OE1-OH 2.88Å; D791-Y793 PolarHBondContact O-N 3.15Å; Y793-E797 WeakPolarHBondContact O-CG 3.42Å; Y793-E797 PolarHBondContact O-N 2.99Å; Y793-E797 VanDerWaalsContact O-N 3.14Å; Y793-Y846 HydrophobicContact CE2-CD1 4.23Å; Y793-Y846 VanDerWaalsContact OH-CD1 3.31Å; Y793-Y846 WeakPolarHBondContact OH-CD1 3.41Å; Y793-Y846 WeakPolarHBondContact OH-CE1 3.39Å; Y793-T849 HydrophobicContact CD1-CG2 4.11Å; Y793-T849 HydrophobicContact CE1-CG2 4.12Å
794	Y	89.2	Confident	85.8	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-69.5	-42.4	172.9	180	-130.3	0	0	0	111.5	F741 Q750 D791 N792 M798	F741-Y794 HydrophobicContact CZ-CD1 4.34Å; Q750-Y794 HydrophobicContact CG-CE2 3.95Å; Q750-Y794 PolarHBondContact NE2-OH 3.09Å; D791-Y794 HydrophobicContact CB-CD1 4.49Å; D791-Y794 WeakPolarHBondContact O-CB 3.5Å; D791-Y794 PolarHBondContact O-N 3.28Å; D791-Y794 VanDerWaalsContact O-N 3.16Å; N792-Y794 VanDerWaalsContact C-N 3.3Å; N792-Y794 PolarHBondContact O-N 3.22Å; Y794-M798 HydrophobicContact CD1-CE 3.7Å; Y794-M798 HydrophobicContact CD1-SD 4.49Å; Y794-M798 HydrophobicContact CD2-CE 4.48Å; Y794-M798 HydrophobicContact CD2-CG 4.45Å; Y794-M798 HydrophobicContact CE1-CE 3.6Å; Y794-M798 HydrophobicContact CE1-SD 3.92Å; Y794-M798 HydrophobicContact CE2-CE 4.37Å; Y794-M798 HydrophobicContact CE2-CG 4.12Å; Y794-M798 HydrophobicContact CE2-SD 4.03Å; Y794-M798 HydrophobicContact CG-CE 4.16Å; Y794-M798 WeakPolarHBondContact O-CG 3.24Å; Y794-M798 PolarHBondContact O-N 2.87Å
795	R	88.7	Confident	86.2	Confident	55 Å²	55	43.6 Å²	43.6	21%	0.208	19%	0.194	C	C	.	.	H	α-helix	trans	-64.7	-43.8	173.7	-67.7	175.7	-167.5	-174.5	12.8	112.2	D791 N792 E797 M798 I799 F836 I850	D791-R795 VanDerWaalsContact CG-NE 3.31Å; D791-R795 VanDerWaalsContact CG-NH2 3.25Å; D791-R795 WeakPolarHBondContact O-CG 3.28Å; D791-R795 PolarHBondContact O-N 3.21Å; D791-R795 IonicContact OD1-CZ 3.75Å; D791-R795 IonicContact OD1-NE 2.81Å; D791-R795 IonicContact OD1-NH2 2.66Å; D791-R795 PolarHBondContact OD1-NH2 2.6Å; D791-R795 IonicContact OD2-CZ 3.46Å; D791-R795 VanDerWaalsContact OD2-CZ 3.23Å; D791-R795 IonicContact OD2-NE 3.16Å; D791-R795 PolarHBondContact OD2-NE 3.31Å; D791-R795 IonicContact OD2-NH2 3.6Å; D791-R795 PolarHBondContact OD2-NH2 3.39Å; N792-R795 PolarHBondContact O-N 3.34Å; R795-E797 PolarHBondContact O-N 3.49Å; R795-M798 HydrophobicContact CG-CE 4.26Å; R795-M798 PolarHBondContact O-N 2.89Å; R795-I799 WeakPolarHBondContact O-CD1 3.2Å; R795-I799 WeakPolarHBondContact O-CG1 3.39Å; R795-I799 PolarHBondContact O-N 2.99Å; R795-F836 HydrophobicContact CB-CE1 4.46Å; R795-F836 HydrophobicContact CG-CE1 4.41Å; R795-I850 HydrophobicContact CB-CD1 3.95Å; R795-I850 HydrophobicContact CB-CG1 4.23Å
796	A	89.4	Confident	86.2	Confident	3 Å²	3	32.9 Å²	32.9	3%	0.025	16%	0.155	C	C	.	.	H	α-helix	trans	-54.3	-51	176.1	0	0	0	0	0	111.3	N792 M798 I799 D800 T849 S853	N792-A796 WeakPolarHBondContact O-CB 3.36Å; N792-A796 PolarHBondContact O-N 3.25Å; A796-M798 PolarHBondContact O-N 3.04Å; A796-I799 WeakPolarHBondContact O-CA 3.42Å; A796-I799 WeakPolarHBondContact O-CB 3.37Å; A796-I799 PolarHBondContact O-N 2.88Å; A796-D800 PolarHBondContact O-N 3.32Å; A796-T849 HydrophobicContact CB-CG2 3.91Å; A796-S853 WeakPolarHBondContact CB-OG 3.33Å; A796-S853 WeakPolarHBondContact O-CB 3.45Å; A796-S853 PolarHBondContact O-OG 3.07Å
797	E	89.6	Confident	85.8	Confident	59 Å²	59	26.8 Å²	26.8	28%	0.276	13%	0.131	S	C	.	.	H	α-helix	trans	-74.5	-23.1	-178.5	-61.3	-128.7	-148.2	0	0	113.4	K751 V755 Y793 R795 I799 A801	K751-E797 WeakPolarHBondContact CE-OE1 3.47Å; K751-E797 HydrophobicContact CG-CB 4.15Å; K751-E797 HydrophobicContact CG-CG 4.15Å; K751-E797 IonicContact NZ-OE1 2.74Å; K751-E797 PolarHBondContact NZ-OE1 2.78Å; V755-E797 HydrophobicContact CG2-CB 4.06Å; V755-E797 WeakPolarHBondContact CG2-O 3.29Å; Y793-E797 WeakPolarHBondContact O-CG 3.42Å; Y793-E797 PolarHBondContact O-N 2.99Å; Y793-E797 VanDerWaalsContact O-N 3.14Å; R795-E797 PolarHBondContact O-N 3.49Å; E797-I799 VanDerWaalsContact C-N 3.32Å; E797-A801 VanDerWaalsContact O-CB 3.32Å; E797-A801 WeakPolarHBondContact O-CB 3.33Å; E797-A801 PolarHBondContact O-N 2.98Å
798	M	89.6	Confident	85.1	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-67.2	-32.1	165.6	-74.5	-171	-65.6	0	0	112.5	L778 I779 Y794 R795 A796 A801 L802	L778-M798 HydrophobicContact CB-SD 4.29Å; I779-M798 HydrophobicContact CD1-CB 4.15Å; I779-M798 HydrophobicContact CG1-CB 4.02Å; I779-M798 HydrophobicContact CG1-CE 4.35Å; I779-M798 HydrophobicContact CG1-CG 4.49Å; I779-M798 HydrophobicContact CG1-SD 3.88Å; Y794-M798 HydrophobicContact CD1-CE 3.7Å; Y794-M798 HydrophobicContact CD1-SD 4.49Å; Y794-M798 HydrophobicContact CD2-CE 4.48Å; Y794-M798 HydrophobicContact CD2-CG 4.45Å; Y794-M798 HydrophobicContact CE1-CE 3.6Å; Y794-M798 HydrophobicContact CE1-SD 3.92Å; Y794-M798 HydrophobicContact CE2-CE 4.37Å; Y794-M798 HydrophobicContact CE2-CG 4.12Å; Y794-M798 HydrophobicContact CE2-SD 4.03Å; Y794-M798 HydrophobicContact CG-CE 4.16Å; Y794-M798 WeakPolarHBondContact O-CG 3.24Å; Y794-M798 PolarHBondContact O-N 2.87Å; R795-M798 HydrophobicContact CG-CE 4.26Å; R795-M798 PolarHBondContact O-N 2.89Å; A796-M798 PolarHBondContact O-N 3.04Å; M798-A801 WeakPolarHBondContact O-CB 3.47Å; M798-A801 PolarHBondContact O-N 2.71Å; M798-L802 PolarHBondContact O-N 3.31Å
799	I	90.8	Very high	84	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-73.9	-40.6	174.3	-64.7	155.4	0	0	0	110.6	R795 A796 E797 A801 L802 A803 I833 F836 I850 A857	R795-I799 WeakPolarHBondContact O-CD1 3.2Å; R795-I799 WeakPolarHBondContact O-CG1 3.39Å; R795-I799 PolarHBondContact O-N 2.99Å; A796-I799 WeakPolarHBondContact O-CA 3.42Å; A796-I799 WeakPolarHBondContact O-CB 3.37Å; A796-I799 PolarHBondContact O-N 2.88Å; E797-I799 VanDerWaalsContact C-N 3.32Å; I799-A801 VanDerWaalsContact C-N 3.26Å; I799-A801 PolarHBondContact O-N 3.3Å; I799-L802 WeakPolarHBondContact O-CB 3.4Å; I799-L802 PolarHBondContact O-N 2.88Å; I799-A803 PolarHBondContact O-N 3.33Å; I799-I833 HydrophobicContact CG2-CG1 4.34Å; I799-F836 HydrophobicContact CD1-CB 3.99Å; I799-F836 HydrophobicContact CD1-CD1 4.24Å; I799-F836 HydrophobicContact CD1-CD2 3.63Å; I799-F836 HydrophobicContact CD1-CE2 4.1Å; I799-F836 HydrophobicContact CD1-CG 3.71Å; I799-F836 HydrophobicContact CG1-CD2 3.72Å; I799-F836 HydrophobicContact CG1-CE2 3.91Å; I799-F836 HydrophobicContact CG1-CG 4.33Å; I799-I850 HydrophobicContact CD1-CG2 3.77Å; I799-A857 HydrophobicContact CG2-CB 4.05Å
800	D	89.1	Confident	82.4	Confident	28 Å²	28	27.2 Å²	27.2	15%	0.15	15%	0.154	C	C	.	.	H	α-helix	trans	-65.3	-29.9	171.1	-67.7	-56.3	0	0	0	111.7	A796 A803 N804 S853	A796-D800 PolarHBondContact O-N 3.32Å; D800-A803 PolarHBondContact O-N 2.82Å; D800-N804 WeakPolarHBondContact O-CB 3.22Å; D800-N804 PolarHBondContact O-N 3.08Å; D800-N804 PolarHBondContact O-ND2 3.44Å; D800-S853 VanDerWaalsContact OD2-CB 3.23Å; D800-S853 WeakPolarHBondContact OD2-CB 3.45Å; D800-S853 PolarHBondContact OD2-OG 3.23Å
801	A	88.9	Confident	80.7	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67	-45.6	168.8	0	0	0	0	0	111.9	P754 V755 A758 I775 E797 M798 I799 A803 N804 S805	P754-A801 HydrophobicContact CB-CB 4.16Å; V755-A801 HydrophobicContact CG2-CB 4.22Å; A758-A801 HydrophobicContact CB-CB 4.02Å; A758-A801 WeakPolarHBondContact CB-O 3.46Å; I775-A801 HydrophobicContact CD1-CB 4.29Å; E797-A801 VanDerWaalsContact O-CB 3.32Å; E797-A801 WeakPolarHBondContact O-CB 3.33Å; E797-A801 PolarHBondContact O-N 2.98Å; M798-A801 WeakPolarHBondContact O-CB 3.47Å; M798-A801 PolarHBondContact O-N 2.71Å; I799-A801 VanDerWaalsContact C-N 3.26Å; I799-A801 PolarHBondContact O-N 3.3Å; A801-A803 VanDerWaalsContact C-N 3.3Å; A801-A803 PolarHBondContact O-N 3.27Å; A801-N804 PolarHBondContact O-N 3.11Å; A801-S805 PolarHBondContact O-N 3.12Å
802	L	87.3	Confident	78.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-56.6	-45	172.4	-71.6	-177.6	0	0	0	111.1	L772 I775 L776 I779 M798 I799 N804 S805 I829 E832	L772-L802 HydrophobicContact CD1-CD2 3.84Å; I775-L802 HydrophobicContact CB-CD2 4.26Å; I775-L802 HydrophobicContact CG2-CD2 3.59Å; I775-L802 HydrophobicContact CG2-CG 4.07Å; L776-L802 HydrophobicContact CD2-CD1 4.44Å; L776-L802 HydrophobicContact CD2-CD2 3.86Å; L776-L802 HydrophobicContact CG-CD2 4.34Å; I779-L802 HydrophobicContact CD1-CD1 3.6Å; I779-L802 HydrophobicContact CD1-CD2 4.23Å; I779-L802 HydrophobicContact CD1-CG 3.86Å; M798-L802 PolarHBondContact O-N 3.31Å; I799-L802 WeakPolarHBondContact O-CB 3.4Å; I799-L802 PolarHBondContact O-N 2.88Å; L802-N804 PolarHBondContact O-N 3.47Å; L802-S805 WeakPolarHBondContact O-CB 3.41Å; L802-S805 PolarHBondContact O-N 2.91Å; L802-S805 PolarHBondContact O-OG 3.21Å; L802-I829 HydrophobicContact CB-CG2 4.26Å; L802-I829 HydrophobicContact CD2-CG1 4.35Å; L802-E832 HydrophobicContact CD1-CB 4.45Å
803	A	84.9	Confident	76.6	Confident	3 Å²	3	38.7 Å²	38.7	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-57.5	-49.6	176.1	0	0	0	0	0	112.6	I799 D800 A801 S805 V806 A857 V860	I799-A803 PolarHBondContact O-N 3.33Å; D800-A803 PolarHBondContact O-N 2.82Å; A801-A803 VanDerWaalsContact C-N 3.3Å; A801-A803 PolarHBondContact O-N 3.27Å; A803-S805 PolarHBondContact O-N 3.09Å; A803-V806 WeakPolarHBondContact O-CB 3.28Å; A803-V806 PolarHBondContact O-N 3.37Å; A803-V806 VanDerWaalsContact O-N 3.16Å; A803-A857 HydrophobicContact CB-CB 3.67Å; A803-V860 HydrophobicContact CB-CB 4.39Å; A803-V860 WeakPolarHBondContact O-CG1 3.41Å
804	N	86.1	Confident	74.9	Confident	59 Å²	59	45.4 Å²	45.4	32%	0.316	26%	0.261	S	S	.	.	H	α-helix	trans	-68.5	-20	-179.9	-76.9	-58.5	0	0	0	113.6	A758 L759 R761 D800 A801 L802 V806	A758-N804 HydrophobicContact CB-CB 4.06Å; A758-N804 CarbonylContact O-C 3.6Å; A758-N804 VanDerWaalsContact O-O 3.09Å; L759-N804 HydrophobicContact CD2-CB 4.17Å; R761-N804 PolarHBondContact NH2-O 3.36Å; D800-N804 WeakPolarHBondContact O-CB 3.22Å; D800-N804 PolarHBondContact O-N 3.08Å; D800-N804 PolarHBondContact O-ND2 3.44Å; A801-N804 PolarHBondContact O-N 3.11Å; L802-N804 PolarHBondContact O-N 3.47Å; N804-V806 VanDerWaalsContact C-N 3.3Å
805	S	83	Confident	73.1	Confident	7 Å²	7	51.8 Å²	51.8	5%	0.049	29%	0.291	C	S	.	.	H	α-helix	trans	-72.6	-22.7	173.2	79.4	0	0	0	0	113	C767 A801 L802 A803 T807	C767-S805 WeakPolarHBondContact CB-O 3.31Å; A801-S805 PolarHBondContact O-N 3.12Å; L802-S805 WeakPolarHBondContact O-CB 3.41Å; L802-S805 PolarHBondContact O-N 2.91Å; L802-S805 PolarHBondContact O-OG 3.21Å; A803-S805 PolarHBondContact O-N 3.09Å; S805-T807 PolarHBondContact O-N 3.42Å
806	V	78	Confident	71.2	Confident	9 Å²	9	55.4 Å²	55.4	6%	0.055	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-68.8	123.8	-179.8	-174.5	0	0	0	0	110	A803 N804 I829 L861 N864 H866	A803-V806 WeakPolarHBondContact O-CB 3.28Å; A803-V806 PolarHBondContact O-N 3.37Å; A803-V806 VanDerWaalsContact O-N 3.16Å; N804-V806 VanDerWaalsContact C-N 3.3Å; V806-I829 HydrophobicContact CG2-CD1 3.89Å; V806-L861 HydrophobicContact CG1-CD2 4.07Å; V806-L861 HydrophobicContact CG2-CD2 3.82Å; V806-N864 HydrophobicContact CG1-CB 4.15Å; V806-N864 WeakPolarHBondContact CG1-ND2 3.2Å; V806-N864 PolarHBondContact O-ND2 3.09Å; V806-H866 WeakPolarHBondContact CG1-CD2 3.28Å; V806-H866 WeakPolarHBondContact CG1-NE2 3.48Å
807	T	69.8	Low	69.7	Low	28 Å²	28	59.1 Å²	59.1	17%	0.172	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-92	145.5	173	-49.8	0	0	0	0	109.8	N765 L766 C767 S805 A809 H866	N765-T807 VanDerWaalsContact O-CG2 3.23Å; N765-T807 WeakPolarHBondContact O-CG2 3.38Å; L766-T807 HydrophobicContact CD2-CG2 4.12Å; C767-T807 PolarHBondContact N-OG1 3.39Å; C767-T807 VanDerWaalsContact N-OG1 3.15Å; S805-T807 PolarHBondContact O-N 3.42Å; T807-A809 PolarHBondContact O-N 3.31Å; T807-H866 PolarHBondContact O-NE2 3.02Å
808	P	67.1	Low	68.2	Low	82 Å²	82	60 Å²	60	53%	0.532	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-50.2	131.4	171.8	-28.3	34.7	0	0	0	112.5	V810	P808-V810 PolarHBondContact O-N 3.22Å
809	A	58.8	Low	66.5	Low	23 Å²	23	66 Å²	66	19%	0.19	37%	0.373	C	S	.	.			trans	-77.1	108	178.8	0	0	0	0	0	110.3	T807 S811 R817 N864	T807-A809 PolarHBondContact O-N 3.31Å; A809-S811 PolarHBondContact O-N 3.39Å; A809-R817 VanDerWaalsContact CB-NH1 3.3Å; A809-N864 WeakPolarHBondContact CB-O 3.36Å; A809-N864 PolarHBondContact N-O 2.59Å
810	V	51.9	Low	64.8	Low	130 Å²	130	72.4 Å²	72.4	79%	0.788	41%	0.408	S	S	*	.			trans	-60.3	98.5	174.3	-176.6	0	0	0	0	109.5	P808 V812	P808-V810 PolarHBondContact O-N 3.22Å; V810-V812 HydrophobicContact CG1-CG2 4.29Å; V810-V812 PolarHBondContact O-N 2.81Å; V810-V812 VanDerWaalsContact O-N 3.16Å
811	S	48.6	Very low	63.5	Low	70 Å²	70	76.8 Å²	76.8	49%	0.49	43%	0.431	S	S	.	.			trans	-80.5	89.4	178	50.6	0	0	0	0	109.8	A809 N813	A809-S811 PolarHBondContact O-N 3.39Å; S811-N813 VanDerWaalsContact C-N 3.26Å
812	V	45.5	Very low	62.5	Low	127 Å²	127	77.9 Å²	77.9	77%	0.77	44%	0.437	S	S	*	.	S	Bend	trans	-66.4	-33.2	171.2	-177.8	0	0	0	0	110.8	V810	V810-V812 HydrophobicContact CG1-CG2 4.29Å; V810-V812 PolarHBondContact O-N 2.81Å; V810-V812 VanDerWaalsContact O-N 3.16Å
813	N	45	Very low	61.9	Low	103 Å²	103	82.5 Å²	82.5	55%	0.551	46%	0.462	S	S	*	.	S	Bend	trans	-120.7	146.8	176	-64.6	3.4	0	0	0	111.1	S811 E815	S811-N813 VanDerWaalsContact C-N 3.26Å; N813-E815 PolarHBondContact O-N 2.72Å; N813-E815 VanDerWaalsContact O-N 3.15Å
814	N	51.8	Low	61.6	Low	163 Å²	163	86.5 Å²	86.5	87%	0.872	49%	0.487	S	S	*	.			trans	-82.9	36.3	178.2	-83	-12.8	0	0	0	113.8
815	E	50	Low	61.2	Low	138 Å²	138	86 Å²	86	65%	0.645	49%	0.485	S	S	*	.			trans	-84.7	132	178.6	-73.8	171.6	-144.6	0	0	111.3	N813 R817	N813-E815 PolarHBondContact O-N 2.72Å; N813-E815 VanDerWaalsContact O-N 3.15Å; E815-R817 PolarHBondContact O-N 2.61Å; E815-R817 VanDerWaalsContact O-N 3.07Å
816	V	50.5	Low	61.1	Low	131 Å²	131	86.1 Å²	86.1	79%	0.794	49%	0.485	S	S	*	.			trans	-66.5	108.2	176.9	178	0	0	0	0	108.8	T818	V816-T818 PolarHBondContact O-N 3.15Å; V816-T818 VanDerWaalsContact O-N 3.08Å
817	R	56.6	Low	61.4	Low	80 Å²	80	91.8 Å²	91.8	30%	0.302	51%	0.505	S	S	.	.			trans	-66.9	106.4	-175.1	-67.1	178.3	175.1	126	-0.5	111.2	A809 E815 L822 G865	A809-R817 VanDerWaalsContact CB-NH1 3.3Å; E815-R817 PolarHBondContact O-N 2.61Å; E815-R817 VanDerWaalsContact O-N 3.07Å; R817-L822 HydrophobicContact CB-CD2 4.4Å; R817-G865 PolarHBondContact NH1-O 3.17Å
818	T	58	Low	62.2	Low	78 Å²	78	93.7 Å²	93.7	48%	0.479	51%	0.514	S	S	.	.			trans	-70.8	158.8	164.7	52.8	0	0	0	0	110.9	V816 D820 N821	V816-T818 PolarHBondContact O-N 3.15Å; V816-T818 VanDerWaalsContact O-N 3.08Å; T818-D820 PolarHBondContact O-N 3.18Å; T818-D820 VanDerWaalsContact O-N 3.15Å; T818-N821 PolarHBondContact O-N 3.33Å; T818-N821 VanDerWaalsContact O-N 3.12Å
819	L	55.2	Low	63.1	Low	127 Å²	127	89.9 Å²	89.9	67%	0.665	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-57.8	-29.3	-176.6	-68	171.8	0	0	0	113.6	L822	L819-L822 HydrophobicContact CD2-CD1 3.95Å; L819-L822 WeakPolarHBondContact O-CG 3.26Å
820	D	54.1	Low	64.4	Low	135 Å²	135	90.4 Å²	90.4	72%	0.722	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-76	-22.4	-178.3	-55.3	-67.5	0	0	0	113.6	T818	T818-D820 PolarHBondContact O-N 3.18Å; T818-D820 VanDerWaalsContact O-N 3.15Å
821	N	62.7	Low	66.2	Low	119 Å²	119	88.7 Å²	88.7	64%	0.636	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-95	14.2	178.2	-76	-11.1	0	0	0	113.1	T818	T818-N821 PolarHBondContact O-N 3.33Å; T818-N821 VanDerWaalsContact O-N 3.12Å
822	L	68.5	Low	68.1	Low	24 Å²	24	86 Å²	86	13%	0.126	45%	0.452	C	S	.	.	S	Bend	trans	-80.3	144.8	177.7	-63.6	-178.5	0	0	0	112.4	R817 L819 L830 H866	R817-L822 HydrophobicContact CB-CD2 4.4Å; L819-L822 HydrophobicContact CD2-CD1 3.95Å; L819-L822 WeakPolarHBondContact O-CG 3.26Å; L822-L830 HydrophobicContact CD1-CD1 3.75Å; L822-H866 WeakPolarHBondContact CD2-O 3.44Å
823	N	72.9	Confident	70.2	Confident	97 Å²	97	80 Å²	80	52%	0.519	42%	0.415	S	S	.	.			trans	-55.1	135.4	170.7	-78	-8.8	0	0	0	110.3	D825 V826 R827	N823-D825 PolarHBondContact O-N 2.89Å; N823-V826 HydrophobicContact CB-CB 4.44Å; N823-V826 HydrophobicContact CB-CG2 4.13Å; N823-V826 PolarHBondContact O-N 2.86Å; N823-R827 PolarHBondContact O-N 3.02Å
824	P	79.4	Confident	72.4	Confident	86 Å²	86	78.5 Å²	78.5	56%	0.558	41%	0.41	S	S	*	.	H	α-helix	trans	-60.1	-34.1	-175.8	23.3	-34	0	0	0	112.5	V826 R827 L828	P824-V826 VanDerWaalsContact C-N 3.29Å; P824-V826 PolarHBondContact O-N 3.21Å; P824-R827 PolarHBondContact O-N 3.46Å; P824-L828 WeakPolarHBondContact O-CG 3.26Å; P824-L828 PolarHBondContact O-N 3.16Å
825	D	77.8	Confident	74.3	Confident	49 Å²	49	76.2 Å²	76.2	26%	0.262	39%	0.389	S	S	.	.	H	α-helix	trans	-58	-39.4	173.9	-58.5	-30.8	0	0	0	112.5	K769 L772 N823 I829	K769-D825 VanDerWaalsContact NZ-CG 3.32Å; K769-D825 IonicContact NZ-OD1 3.25Å; K769-D825 PolarHBondContact NZ-OD1 3.31Å; K769-D825 IonicContact NZ-OD2 2.64Å; K769-D825 PolarHBondContact NZ-OD2 3.12Å; L772-D825 HydrophobicContact CD2-CB 3.7Å; N823-D825 PolarHBondContact O-N 2.89Å; D825-I829 WeakPolarHBondContact O-CG1 3.38Å; D825-I829 PolarHBondContact O-N 3.35Å
826	V	80.8	Confident	76.2	Confident	9 Å²	9	70 Å²	70	6%	0.055	36%	0.36	C	S	.	.	H	α-helix	trans	-80.6	-34.9	-178.9	178.4	0	0	0	0	111.1	N823 P824 L828 I829 L830 L861 H866	N823-V826 HydrophobicContact CB-CB 4.44Å; N823-V826 HydrophobicContact CB-CG2 4.13Å; N823-V826 PolarHBondContact O-N 2.86Å; P824-V826 VanDerWaalsContact C-N 3.29Å; P824-V826 PolarHBondContact O-N 3.21Å; V826-L828 VanDerWaalsContact C-N 3.33Å; V826-L828 PolarHBondContact O-N 3.02Å; V826-I829 PolarHBondContact O-N 3.18Å; V826-L830 HydrophobicContact CG1-CD1 4.4Å; V826-L830 PolarHBondContact O-N 3.34Å; V826-L861 HydrophobicContact CG1-CD2 3.81Å; V826-H866 HydrophobicContact CG1-CB 4.02Å
827	R	84.8	Confident	78.1	Confident	129 Å²	129	65 Å²	65	49%	0.487	33%	0.328	S	S	.	.	H	α-helix	trans	-58	-44.7	170.9	178.1	175.8	174	144.8	4.1	111.4	N823 P824 I829 L830 E831	N823-R827 PolarHBondContact O-N 3.02Å; P824-R827 PolarHBondContact O-N 3.46Å; R827-I829 VanDerWaalsContact C-N 3.34Å; R827-I829 PolarHBondContact O-N 2.64Å; R827-L830 PolarHBondContact O-N 3.41Å; R827-E831 HydrophobicContact CG-CG 4.43Å; R827-E831 WeakPolarHBondContact CG-OE1 3.41Å; R827-E831 IonicContact CZ-OE1 3.96Å; R827-E831 IonicContact NE-OE1 3.31Å; R827-E831 PolarHBondContact NE-OE1 3.07Å; R827-E831 IonicContact NH2-OE1 2.72Å; R827-E831 PolarHBondContact NH2-OE1 3.44Å; R827-E831 WeakPolarHBondContact O-CB 3.28Å; R827-E831 WeakPolarHBondContact O-CG 3.42Å; R827-E831 PolarHBondContact O-N 3.43Å
828	L	85.6	Confident	79.8	Confident	67 Å²	67	65.7 Å²	65.7	35%	0.351	34%	0.338	S	S	.	.	H	α-helix	trans	-61.2	-40.1	175.3	-70.6	170.4	0	0	0	112.5	L776 P824 V826 E831 E832	L776-L828 HydrophobicContact CD1-CB 4.47Å; L776-L828 HydrophobicContact CD1-CD1 4.38Å; P824-L828 WeakPolarHBondContact O-CG 3.26Å; P824-L828 PolarHBondContact O-N 3.16Å; V826-L828 VanDerWaalsContact C-N 3.33Å; V826-L828 PolarHBondContact O-N 3.02Å; L828-E831 PolarHBondContact O-N 3.06Å; L828-E832 PolarHBondContact O-N 3.17Å
829	I	86.5	Confident	81.2	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.015	33%	0.328	C	S	.	.	H	α-helix	trans	-62.4	-44.5	174.6	-67.1	168.2	0	0	0	110.9	L772 L802 V806 D825 V826 R827 E832 I833	L772-I829 HydrophobicContact CD1-CD1 3.87Å; L772-I829 HydrophobicContact CD1-CG1 4.04Å; L772-I829 HydrophobicContact CD2-CD1 4.34Å; L802-I829 HydrophobicContact CB-CG2 4.26Å; L802-I829 HydrophobicContact CD2-CG1 4.35Å; V806-I829 HydrophobicContact CG2-CD1 3.89Å; D825-I829 WeakPolarHBondContact O-CG1 3.38Å; D825-I829 PolarHBondContact O-N 3.35Å; V826-I829 PolarHBondContact O-N 3.18Å; R827-I829 VanDerWaalsContact C-N 3.34Å; R827-I829 PolarHBondContact O-N 2.64Å; I829-E832 PolarHBondContact O-N 3.35Å; I829-I833 HydrophobicContact CG2-CD1 3.65Å; I829-I833 HydrophobicContact CG2-CG1 4.38Å; I829-I833 WeakPolarHBondContact O-CB 3.33Å; I829-I833 VanDerWaalsContact O-CG1 3.27Å; I829-I833 WeakPolarHBondContact O-CG1 3.44Å; I829-I833 PolarHBondContact O-N 3.11Å
830	L	86.6	Confident	82.7	Confident	34 Å²	34	58.4 Å²	58.4	18%	0.178	30%	0.296	C	S	.	.	H	α-helix	trans	-65.4	-39.9	176.7	-78.4	168.4	0	0	0	112.9	L822 V826 R827 T834 L861 V867	L822-L830 HydrophobicContact CD1-CD1 3.75Å; V826-L830 HydrophobicContact CG1-CD1 4.4Å; V826-L830 PolarHBondContact O-N 3.34Å; R827-L830 PolarHBondContact O-N 3.41Å; L830-T834 VanDerWaalsContact O-CB 3.26Å; L830-T834 WeakPolarHBondContact O-CB 3.47Å; L830-T834 PolarHBondContact O-N 2.92Å; L830-T834 PolarHBondContact O-OG1 2.98Å; L830-L861 HydrophobicContact CD2-CD1 3.73Å; L830-L861 HydrophobicContact CG-CD1 4.23Å; L830-V867 HydrophobicContact CD1-CG2 4.27Å; L830-V867 HydrophobicContact CD2-CG2 4.16Å
831	E	89.2	Confident	84.3	Confident	93 Å²	93	59.8 Å²	59.8	44%	0.435	30%	0.296	S	S	.	.	H	α-helix	trans	-63.3	-41.1	175	-74.2	173.3	-173.9	0	0	111	R827 L828 R835	R827-E831 HydrophobicContact CG-CG 4.43Å; R827-E831 WeakPolarHBondContact CG-OE1 3.41Å; R827-E831 IonicContact CZ-OE1 3.96Å; R827-E831 IonicContact NE-OE1 3.31Å; R827-E831 PolarHBondContact NE-OE1 3.07Å; R827-E831 IonicContact NH2-OE1 2.72Å; R827-E831 PolarHBondContact NH2-OE1 3.44Å; R827-E831 WeakPolarHBondContact O-CB 3.28Å; R827-E831 WeakPolarHBondContact O-CG 3.42Å; R827-E831 PolarHBondContact O-N 3.43Å; L828-E831 PolarHBondContact O-N 3.06Å; E831-R835 WeakPolarHBondContact O-CB 3.44Å; E831-R835 PolarHBondContact O-N 3.1Å
832	E	88.9	Confident	85.6	Confident	15 Å²	15	61.1 Å²	61.1	7%	0.07	30%	0.302	C	S	.	.	H	α-helix	trans	-72.4	-40.1	176.2	-72.8	-166.8	-171.6	0	0	113.8	L776 I779 K780 L802 L828 I829 R835 F836	L776-E832 VanDerWaalsContact CD2-CD 3.48Å; L776-E832 HydrophobicContact CD2-CG 4.46Å; L776-E832 WeakPolarHBondContact CD2-OE1 3.24Å; L776-E832 WeakPolarHBondContact CD2-OE2 3.49Å; I779-E832 WeakPolarHBondContact CG2-OE2 3.43Å; K780-E832 WeakPolarHBondContact CE-OE1 3.31Å; K780-E832 IonicContact NZ-OE1 2.71Å; L802-E832 HydrophobicContact CD1-CB 4.45Å; L828-E832 PolarHBondContact O-N 3.17Å; I829-E832 PolarHBondContact O-N 3.35Å; E832-R835 WeakPolarHBondContact O-CB 3.41Å; E832-R835 PolarHBondContact O-N 2.82Å; E832-F836 WeakPolarHBondContact O-CD2 3.41Å; E832-F836 PolarHBondContact O-N 2.9Å
833	I	89.9	Confident	86.4	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-60.9	-47	173.4	-70.5	166.3	0	0	0	110.4	I799 I829 R835 F836 L837 C854 A857 I858 L861	I799-I833 HydrophobicContact CG2-CG1 4.34Å; I829-I833 HydrophobicContact CG2-CD1 3.65Å; I829-I833 HydrophobicContact CG2-CG1 4.38Å; I829-I833 WeakPolarHBondContact O-CB 3.33Å; I829-I833 VanDerWaalsContact O-CG1 3.27Å; I829-I833 WeakPolarHBondContact O-CG1 3.44Å; I829-I833 PolarHBondContact O-N 3.11Å; I833-R835 VanDerWaalsContact C-N 3.32Å; I833-R835 PolarHBondContact O-N 2.99Å; I833-F836 PolarHBondContact O-N 2.92Å; I833-F836 VanDerWaalsContact O-N 3.13Å; I833-L837 HydrophobicContact CG2-CD1 4.08Å; I833-L837 PolarHBondContact O-N 3.43Å; I833-C854 HydrophobicContact CG2-CB 3.96Å; I833-A857 HydrophobicContact CD1-CB 3.71Å; I833-A857 HydrophobicContact CG1-CB 4.45Å; I833-I858 HydrophobicContact CG2-CD1 4.14Å; I833-I858 HydrophobicContact CG2-CG1 4.16Å; I833-L861 HydrophobicContact CD1-CD1 3.95Å
834	T	90.8	Very high	86.8	Confident	71 Å²	71	65.8 Å²	65.8	44%	0.436	33%	0.331	S	S	.	.	H	α-helix	trans	-61.7	-39.8	177.1	-61.1	0	0	0	0	111.5	L830 F836 L837 N838	L830-T834 VanDerWaalsContact O-CB 3.26Å; L830-T834 WeakPolarHBondContact O-CB 3.47Å; L830-T834 PolarHBondContact O-N 2.92Å; L830-T834 PolarHBondContact O-OG1 2.98Å; T834-F836 PolarHBondContact O-N 3.19Å; T834-L837 PolarHBondContact O-N 3.11Å; T834-N838 WeakPolarHBondContact O-CB 3.35Å; T834-N838 VanDerWaalsContact O-CG 3.29Å; T834-N838 PolarHBondContact O-N 3.12Å; T834-N838 PolarHBondContact O-ND2 2.79Å
835	R	91.3	Very high	87	Confident	115 Å²	115	62.3 Å²	62.3	43%	0.434	31%	0.309	S	S	.	.	H	α-helix	trans	-60.8	-42.5	172.8	-177.4	-173.8	67.1	116.3	-3	112	E831 E832 I833 M839	E831-R835 WeakPolarHBondContact O-CB 3.44Å; E831-R835 PolarHBondContact O-N 3.1Å; E832-R835 WeakPolarHBondContact O-CB 3.41Å; E832-R835 PolarHBondContact O-N 2.82Å; I833-R835 VanDerWaalsContact C-N 3.32Å; I833-R835 PolarHBondContact O-N 2.99Å; R835-M839 VanDerWaalsContact O-CB 3.3Å; R835-M839 WeakPolarHBondContact O-CB 3.45Å; R835-M839 PolarHBondContact O-N 3.26Å
836	F	90	Very high	87.2	Confident	8 Å²	8	61.8 Å²	61.8	4%	0.035	30%	0.304	C	S	.	.	H	α-helix	trans	-68.3	-41.6	177.9	-79.8	-61	0	0	0	112.8	I779 R795 I799 E832 I833 T834 M839 E840 I850	I779-F836 HydrophobicContact CG2-CE2 3.84Å; I779-F836 HydrophobicContact CG2-CZ 3.72Å; R795-F836 HydrophobicContact CB-CE1 4.46Å; R795-F836 HydrophobicContact CG-CE1 4.41Å; I799-F836 HydrophobicContact CD1-CB 3.99Å; I799-F836 HydrophobicContact CD1-CD1 4.24Å; I799-F836 HydrophobicContact CD1-CD2 3.63Å; I799-F836 HydrophobicContact CD1-CE2 4.1Å; I799-F836 HydrophobicContact CD1-CG 3.71Å; I799-F836 HydrophobicContact CG1-CD2 3.72Å; I799-F836 HydrophobicContact CG1-CE2 3.91Å; I799-F836 HydrophobicContact CG1-CG 4.33Å; E832-F836 WeakPolarHBondContact O-CD2 3.41Å; E832-F836 PolarHBondContact O-N 2.9Å; I833-F836 PolarHBondContact O-N 2.92Å; I833-F836 VanDerWaalsContact O-N 3.13Å; T834-F836 PolarHBondContact O-N 3.19Å; F836-M839 HydrophobicContact CD1-CE 3.86Å; F836-M839 HydrophobicContact CD1-SD 4.48Å; F836-M839 HydrophobicContact CE1-CE 4.38Å; F836-M839 PolarHBondContact O-N 2.9Å; F836-E840 WeakPolarHBondContact O-CB 3.13Å; F836-E840 PolarHBondContact O-N 3.49Å; F836-I850 HydrophobicContact CB-CG2 3.99Å; F836-I850 HydrophobicContact CD1-CG2 4.35Å; F836-I850 HydrophobicContact CG-CG2 4.45Å
837	L	90.3	Very high	87.3	Confident	24 Å²	24	63.4 Å²	63.4	13%	0.126	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-44.3	173.5	-74.6	169.9	0	0	0	112.3	I833 T834 E840 K841 T851 C854 I858	I833-L837 HydrophobicContact CG2-CD1 4.08Å; I833-L837 PolarHBondContact O-N 3.43Å; T834-L837 PolarHBondContact O-N 3.11Å; L837-E840 WeakPolarHBondContact O-CB 3.43Å; L837-E840 PolarHBondContact O-N 3.3Å; L837-K841 WeakPolarHBondContact O-CB 3.21Å; L837-K841 PolarHBondContact O-N 3.46Å; L837-T851 HydrophobicContact CD2-CG2 3.89Å; L837-C854 HydrophobicContact CD1-CB 4.17Å; L837-C854 HydrophobicContact CD2-CB 3.56Å; L837-C854 HydrophobicContact CG-CB 3.73Å; L837-I858 HydrophobicContact CD1-CD1 4.09Å
838	N	91.9	Very high	87.5	Confident	96 Å²	96	59.4 Å²	59.4	51%	0.513	30%	0.296	S	S	.	.	H	α-helix	trans	-67.2	-37.1	176.9	-73	-25.1	0	0	0	112.1	T834 K841 L842	T834-N838 WeakPolarHBondContact O-CB 3.35Å; T834-N838 VanDerWaalsContact O-CG 3.29Å; T834-N838 PolarHBondContact O-N 3.12Å; T834-N838 PolarHBondContact O-ND2 2.79Å; N838-K841 PolarHBondContact O-N 3.29Å; N838-L842 WeakPolarHBondContact O-CG 3.49Å; N838-L842 PolarHBondContact O-N 2.94Å
839	M	88.2	Confident	87.6	Confident	51 Å²	51	57.4 Å²	57.4	25%	0.251	29%	0.286	S	S	.	.	H	α-helix	trans	-63.8	-46.1	173.2	-176.3	-164.7	74.4	0	0	111.4	R835 F836 K841 L842 L843 I850	R835-M839 VanDerWaalsContact O-CB 3.3Å; R835-M839 WeakPolarHBondContact O-CB 3.45Å; R835-M839 PolarHBondContact O-N 3.26Å; F836-M839 HydrophobicContact CD1-CE 3.86Å; F836-M839 HydrophobicContact CD1-SD 4.48Å; F836-M839 HydrophobicContact CE1-CE 4.38Å; F836-M839 PolarHBondContact O-N 2.9Å; M839-K841 VanDerWaalsContact C-N 3.31Å; M839-K841 PolarHBondContact O-N 3.44Å; M839-L842 PolarHBondContact O-N 3.23Å; M839-L843 PolarHBondContact O-N 3.3Å; M839-I850 HydrophobicContact CE-CD1 3.98Å
840	E	87.6	Confident	87.9	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-57.2	-40	173.5	-97.4	-91.8	102.8	0	0	113	F836 L837 L842 L843 P844 S845 H848 I850 T851	F836-E840 WeakPolarHBondContact O-CB 3.13Å; F836-E840 PolarHBondContact O-N 3.49Å; L837-E840 WeakPolarHBondContact O-CB 3.43Å; L837-E840 PolarHBondContact O-N 3.3Å; E840-L842 VanDerWaalsContact C-N 3.26Å; E840-L842 PolarHBondContact O-N 3.06Å; E840-L843 CarbonylContact O-C 3.58Å; E840-P844 WeakPolarHBondContact O-CA 3.45Å; E840-S845 WeakPolarHBondContact OE1-CA 3.42Å; E840-S845 WeakPolarHBondContact OE1-CB 3.24Å; E840-S845 PolarHBondContact OE1-N 3.15Å; E840-S845 PolarHBondContact OE1-OG 3.46Å; E840-H848 IonicContact OE1-ND1 3.02Å; E840-H848 VanDerWaalsContact OE2-CA 3.24Å; E840-H848 WeakPolarHBondContact OE2-CA 3.22Å; E840-H848 VanDerWaalsContact OE2-CB 3.27Å; E840-H848 WeakPolarHBondContact OE2-CB 3.23Å; E840-H848 IonicContact OE2-CG 2.78Å; E840-H848 IonicContact OE2-ND1 3.48Å; E840-H848 PolarHBondContact OE2-ND1 3.29Å; E840-I850 HydrophobicContact CG-CB 3.63Å; E840-I850 HydrophobicContact CG-CG2 3.66Å; E840-T851 VanDerWaalsContact OE2-CB 3.27Å; E840-T851 WeakPolarHBondContact OE2-CB 3.27Å; E840-T851 PolarHBondContact OE2-N 3.37Å; E840-T851 PolarHBondContact OE2-OG1 2.88Å
841	K	87.3	Confident	88.2	Confident	164 Å²	164	56.1 Å²	56.1	71%	0.713	28%	0.28	S	S	*	.	H	α-helix	trans	-68.9	-24.5	-179.5	-171.3	59.3	175.9	-178.5	0	113.1	L837 N838 M839	L837-K841 WeakPolarHBondContact O-CB 3.21Å; L837-K841 PolarHBondContact O-N 3.46Å; N838-K841 PolarHBondContact O-N 3.29Å; M839-K841 VanDerWaalsContact C-N 3.31Å; M839-K841 PolarHBondContact O-N 3.44Å
842	L	88.5	Confident	88.3	Confident	146 Å²	146	52.3 Å²	52.3	76%	0.764	26%	0.263	S	S	*	.	H	α-helix	trans	-96.1	-33.7	176.4	-65.2	173	0	0	0	113	N838 M839 E840	N838-L842 WeakPolarHBondContact O-CG 3.49Å; N838-L842 PolarHBondContact O-N 2.94Å; M839-L842 PolarHBondContact O-N 3.23Å; E840-L842 VanDerWaalsContact C-N 3.26Å; E840-L842 PolarHBondContact O-N 3.06Å
843	L	85.3	Confident	88.4	Confident	130 Å²	130	51.8 Å²	51.8	68%	0.681	26%	0.261	S	S	*	.	S	Bend	trans	-134.1	84.5	-178.2	-66	175.1	0	0	0	109.3	M839 E840 S845	M839-L843 PolarHBondContact O-N 3.3Å; E840-L843 CarbonylContact O-C 3.58Å; L843-S845 PolarHBondContact O-N 3.37Å
844	P	82.2	Confident	88.6	Confident	89 Å²	89	51.8 Å²	51.8	58%	0.578	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-53.2	119.9	177.7	-30.8	38.1	0	0	0	112.6	E840	E840-P844 WeakPolarHBondContact O-CA 3.45Å
845	S	82.8	Confident	88.6	Confident	14 Å²	14	48.4 Å²	48.4	10%	0.098	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-77.3	166.9	166.6	72.5	0	0	0	0	110.7	E840 L843 R847 H848	E840-S845 WeakPolarHBondContact OE1-CA 3.42Å; E840-S845 WeakPolarHBondContact OE1-CB 3.24Å; E840-S845 PolarHBondContact OE1-N 3.15Å; E840-S845 PolarHBondContact OE1-OG 3.46Å; L843-S845 PolarHBondContact O-N 3.37Å; S845-R847 PolarHBondContact O-N 3.06Å; S845-H848 PolarHBondContact O-N 2.89Å; S845-H848 VanDerWaalsContact O-N 3.11Å
846	Y	83	Confident	88.6	Confident	38 Å²	38	48 Å²	48	15%	0.149	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-55.3	128.2	176.9	-177.8	-102.6	0	0	0	111.4	N328 L330 H331 I335 E338 Y793 H848 T849	N328-Y846 PolarHBondContact O-OH 2.95Å; L330-Y846 WeakPolarHBondContact O-CE2 3.36Å; L330-Y846 PolarHBondContact O-OH 2.8Å; H331-Y846 HydrophobicContact CB-CE2 4.17Å; I335-Y846 HydrophobicContact CD1-CD1 4.11Å; I335-Y846 HydrophobicContact CD1-CD2 3.35Å; I335-Y846 HydrophobicContact CD1-CE2 3.84Å; I335-Y846 HydrophobicContact CD1-CG 3.47Å; I335-Y846 VanDerWaalsContact CD1-CG 3.47Å; I335-Y846 HydrophobicContact CG1-CG 4.41Å; I335-Y846 HydrophobicContact CG2-CD1 4.45Å; E338-Y846 HydrophobicContact CG-CD1 4.45Å; E338-Y846 HydrophobicContact CG-CE1 3.61Å; Y793-Y846 HydrophobicContact CE2-CD1 4.23Å; Y793-Y846 VanDerWaalsContact OH-CD1 3.31Å; Y793-Y846 WeakPolarHBondContact OH-CD1 3.41Å; Y793-Y846 WeakPolarHBondContact OH-CE1 3.39Å; Y846-H848 PolarHBondContact O-N 2.62Å; Y846-T849 PolarHBondContact O-N 2.86Å; Y846-T849 VanDerWaalsContact O-N 3.15Å; Y846-T849 PolarHBondContact O-OG1 2.79Å
847	R	83.7	Confident	88.6	Confident	42 Å²	42	47.6 Å²	47.6	16%	0.158	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	49.8	15.4	-175.4	-67.6	-162.4	-151.6	134.1	6.5	115.8	N328 E338 S845 T849 F883 D885	N328-R847 VanDerWaalsContact O-CZ 3.24Å; N328-R847 PolarHBondContact O-NE 3.34Å; N328-R847 PolarHBondContact O-NH2 3.08Å; E338-R847 VanDerWaalsContact CD-CZ 3.48Å; E338-R847 IonicContact OE1-CZ 3.67Å; E338-R847 IonicContact OE1-NH1 3.71Å; E338-R847 PolarHBondContact OE1-NH1 3.17Å; E338-R847 IonicContact OE1-NH2 2.76Å; E338-R847 PolarHBondContact OE1-NH2 3.33Å; E338-R847 IonicContact OE2-CZ 3.35Å; E338-R847 IonicContact OE2-NH1 3.76Å; E338-R847 PolarHBondContact OE2-NH1 3.28Å; E338-R847 IonicContact OE2-NH2 3.22Å; E338-R847 PolarHBondContact OE2-NH2 3.36Å; S845-R847 PolarHBondContact O-N 3.06Å; R847-T849 PolarHBondContact O-N 3.38Å; R847-F883 HydrophobicContact CB-CD1 4.36Å; R847-F883 HydrophobicContact CB-CE1 3.56Å; R847-F883 HydrophobicContact CB-CZ 4.06Å; R847-F883 HydrophobicContact CG-CE1 3.73Å; R847-F883 HydrophobicContact CG-CZ 3.7Å; R847-F883 WeakPolarHBondContact O-CD1 3.47Å; R847-D885 WeakPolarHBondContact CD-OD2 3.1Å
848	H	88	Confident	88.7	Confident	46 Å²	46	47.3 Å²	47.3	21%	0.213	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	54.2	34.2	-171.2	-71.2	-75.5	0	0	0	114	E840 S845 Y846 I850 T851 V852 I886	E840-H848 IonicContact OE1-ND1 3.02Å; E840-H848 VanDerWaalsContact OE2-CA 3.24Å; E840-H848 WeakPolarHBondContact OE2-CA 3.22Å; E840-H848 VanDerWaalsContact OE2-CB 3.27Å; E840-H848 WeakPolarHBondContact OE2-CB 3.23Å; E840-H848 IonicContact OE2-CG 2.78Å; E840-H848 IonicContact OE2-ND1 3.48Å; E840-H848 PolarHBondContact OE2-ND1 3.29Å; S845-H848 PolarHBondContact O-N 2.89Å; S845-H848 VanDerWaalsContact O-N 3.11Å; Y846-H848 PolarHBondContact O-N 2.62Å; H848-I850 PolarHBondContact O-N 3.38Å; H848-I850 VanDerWaalsContact O-N 3.11Å; H848-T851 WeakPolarHBondContact O-CB 3.37Å; H848-T851 PolarHBondContact O-N 3.05Å; H848-V852 PolarHBondContact O-N 3.35Å; H848-V852 VanDerWaalsContact O-N 3.1Å; H848-I886 HydrophobicContact CB-CD1 3.63Å; H848-I886 HydrophobicContact CB-CG1 3.72Å
849	T	88.3	Confident	88.6	Confident	24 Å²	24	43.3 Å²	43.3	15%	0.147	21%	0.213	C	C	.	.	H	α-helix	trans	-55.9	-33	-177.2	-51.5	0	0	0	0	112.7	Y793 A796 Y846 R847 V852 S853	Y793-T849 HydrophobicContact CD1-CG2 4.11Å; Y793-T849 HydrophobicContact CE1-CG2 4.12Å; A796-T849 HydrophobicContact CB-CG2 3.91Å; Y846-T849 PolarHBondContact O-N 2.86Å; Y846-T849 VanDerWaalsContact O-N 3.15Å; Y846-T849 PolarHBondContact O-OG1 2.79Å; R847-T849 PolarHBondContact O-N 3.38Å; T849-V852 WeakPolarHBondContact O-CB 3.34Å; T849-V852 PolarHBondContact O-N 2.93Å; T849-S853 PolarHBondContact O-N 3.21Å; T849-S853 VanDerWaalsContact O-N 3.16Å
850	I	91.7	Very high	88.6	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-65.2	-42.7	175.7	-66	175.6	0	0	0	111.1	R795 I799 F836 M839 E840 H848 V852 S853 C854	R795-I850 HydrophobicContact CB-CD1 3.95Å; R795-I850 HydrophobicContact CB-CG1 4.23Å; I799-I850 HydrophobicContact CD1-CG2 3.77Å; F836-I850 HydrophobicContact CB-CG2 3.99Å; F836-I850 HydrophobicContact CD1-CG2 4.35Å; F836-I850 HydrophobicContact CG-CG2 4.45Å; M839-I850 HydrophobicContact CE-CD1 3.98Å; E840-I850 HydrophobicContact CG-CB 3.63Å; E840-I850 HydrophobicContact CG-CG2 3.66Å; H848-I850 PolarHBondContact O-N 3.38Å; H848-I850 VanDerWaalsContact O-N 3.11Å; I850-V852 VanDerWaalsContact C-N 3.33Å; I850-V852 PolarHBondContact O-N 2.77Å; I850-S853 PolarHBondContact O-N 3.47Å; I850-C854 PolarHBondContact O-N 2.84Å; I850-C854 PolarHBondContact O-SG 3.26Å
851	T	93	Very high	88.4	Confident	9 Å²	9	42.8 Å²	42.8	6%	0.055	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-38.4	173.9	-65.9	0	0	0	0	111.8	L837 E840 H848 C854 L855 I886	L837-T851 HydrophobicContact CD2-CG2 3.89Å; E840-T851 VanDerWaalsContact OE2-CB 3.27Å; E840-T851 WeakPolarHBondContact OE2-CB 3.27Å; E840-T851 PolarHBondContact OE2-N 3.37Å; E840-T851 PolarHBondContact OE2-OG1 2.88Å; H848-T851 WeakPolarHBondContact O-CB 3.37Å; H848-T851 PolarHBondContact O-N 3.05Å; T851-C854 WeakPolarHBondContact O-CB 3.35Å; T851-C854 PolarHBondContact O-N 2.85Å; T851-L855 HydrophobicContact CG2-CD1 4.11Å; T851-L855 HydrophobicContact CG2-CG 4.26Å; T851-L855 WeakPolarHBondContact O-CG 3.16Å; T851-L855 PolarHBondContact O-N 3.06Å; T851-I886 HydrophobicContact CG2-CD1 4.48Å; T851-I886 HydrophobicContact CG2-CG1 4.4Å; T851-I886 HydrophobicContact CG2-CG2 4.2Å
852	V	92.3	Very high	88.3	Confident	14 Å²	14	35.8 Å²	35.8	9%	0.085	18%	0.182	C	C	.	.	H	α-helix	trans	-58.6	-49.2	176.7	169.7	0	0	0	0	111.6	H848 T849 I850 L855 R856 D885 A889	H848-V852 PolarHBondContact O-N 3.35Å; H848-V852 VanDerWaalsContact O-N 3.1Å; T849-V852 WeakPolarHBondContact O-CB 3.34Å; T849-V852 PolarHBondContact O-N 2.93Å; I850-V852 VanDerWaalsContact C-N 3.33Å; I850-V852 PolarHBondContact O-N 2.77Å; V852-L855 PolarHBondContact O-N 3.42Å; V852-R856 WeakPolarHBondContact O-CG 3.43Å; V852-R856 PolarHBondContact O-N 3.41Å; V852-R856 VanDerWaalsContact O-N 3.09Å; V852-D885 HydrophobicContact CG2-CB 4.17Å; V852-A889 HydrophobicContact CB-CB 4.22Å; V852-A889 HydrophobicContact CG1-CB 3.87Å; V852-A889 HydrophobicContact CG2-CB 4.02Å
853	S	91.4	Very high	88	Confident	4 Å²	4	33.6 Å²	33.6	3%	0.028	17%	0.167	C	C	.	.	H	α-helix	trans	-65.7	-35.7	174.9	-63.6	0	0	0	0	112.5	A796 D800 T849 I850 R856 A857	A796-S853 WeakPolarHBondContact CB-OG 3.33Å; A796-S853 WeakPolarHBondContact O-CB 3.45Å; A796-S853 PolarHBondContact O-OG 3.07Å; D800-S853 VanDerWaalsContact OD2-CB 3.23Å; D800-S853 WeakPolarHBondContact OD2-CB 3.45Å; D800-S853 PolarHBondContact OD2-OG 3.23Å; T849-S853 PolarHBondContact O-N 3.21Å; T849-S853 VanDerWaalsContact O-N 3.16Å; I850-S853 PolarHBondContact O-N 3.47Å; S853-R856 PolarHBondContact O-N 2.78Å; S853-A857 VanDerWaalsContact O-CB 3.31Å; S853-A857 WeakPolarHBondContact O-CB 3.21Å; S853-A857 PolarHBondContact O-N 3.06Å
854	C	92.8	Very high	87.8	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.8	-43.5	173.6	-68.9	0	0	0	0	112.6	I833 L837 I850 T851 A857 I858	I833-C854 HydrophobicContact CG2-CB 3.96Å; L837-C854 HydrophobicContact CD1-CB 4.17Å; L837-C854 HydrophobicContact CD2-CB 3.56Å; L837-C854 HydrophobicContact CG-CB 3.73Å; I850-C854 PolarHBondContact O-N 2.84Å; I850-C854 PolarHBondContact O-SG 3.26Å; T851-C854 WeakPolarHBondContact O-CB 3.35Å; T851-C854 PolarHBondContact O-N 2.85Å; C854-A857 WeakPolarHBondContact O-CB 3.41Å; C854-A857 PolarHBondContact O-N 2.63Å; C854-I858 VanDerWaalsContact O-CG1 3.31Å; C854-I858 WeakPolarHBondContact O-CG1 3.49Å; C854-I858 PolarHBondContact O-N 2.94Å
855	L	91.8	Very high	87.5	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66	-40.5	177.7	-69.6	175.8	0	0	0	111.8	T851 V852 I858 R859 F874 Y877 I886 A889 A890	T851-L855 HydrophobicContact CG2-CD1 4.11Å; T851-L855 HydrophobicContact CG2-CG 4.26Å; T851-L855 WeakPolarHBondContact O-CG 3.16Å; T851-L855 PolarHBondContact O-N 3.06Å; V852-L855 PolarHBondContact O-N 3.42Å; L855-I858 PolarHBondContact O-N 3.02Å; L855-R859 PolarHBondContact O-N 3.48Å; L855-F874 HydrophobicContact CB-CE1 4.21Å; L855-F874 HydrophobicContact CD2-CD1 4.15Å; L855-F874 HydrophobicContact CD2-CE1 4.01Å; L855-Y877 HydrophobicContact CD1-CD2 4.36Å; L855-Y877 HydrophobicContact CD1-CG 4.22Å; L855-Y877 HydrophobicContact CD2-CD2 3.57Å; L855-Y877 HydrophobicContact CD2-CE2 3.82Å; L855-Y877 HydrophobicContact CD2-CG 4.25Å; L855-I886 HydrophobicContact CD1-CG2 3.97Å; L855-A889 HydrophobicContact CD1-CB 4.27Å; L855-A890 HydrophobicContact CD1-CB 4.36Å
856	R	90.9	Very high	87.1	Confident	107 Å²	107	26.1 Å²	26.1	40%	0.404	13%	0.129	S	C	.	.	H	α-helix	trans	-62.1	-43.6	172.6	-72.9	174.3	172.5	165.3	-1.9	111.5	V852 S853 I858 R859 V860 E892	V852-R856 WeakPolarHBondContact O-CG 3.43Å; V852-R856 PolarHBondContact O-N 3.41Å; V852-R856 VanDerWaalsContact O-N 3.09Å; S853-R856 PolarHBondContact O-N 2.78Å; R856-I858 PolarHBondContact O-N 2.7Å; R856-R859 PolarHBondContact O-N 2.93Å; R856-V860 WeakPolarHBondContact O-CG2 3.46Å; R856-V860 PolarHBondContact O-N 3.07Å; R856-E892 IonicContact CZ-OE2 3.63Å; R856-E892 VanDerWaalsContact CZ-OE2 3.26Å; R856-E892 IonicContact NE-OE2 3.2Å; R856-E892 PolarHBondContact NE-OE2 2.82Å; R856-E892 IonicContact NH2-OE1 3.06Å; R856-E892 IonicContact NH2-OE2 2.62Å; R856-E892 PolarHBondContact NH2-OE2 3.25Å
857	A	90.4	Very high	86.8	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.1	-44.3	175.5	0	0	0	0	0	112.7	I799 A803 I833 S853 C854 R859 V860 L861	I799-A857 HydrophobicContact CG2-CB 4.05Å; A803-A857 HydrophobicContact CB-CB 3.67Å; I833-A857 HydrophobicContact CD1-CB 3.71Å; I833-A857 HydrophobicContact CG1-CB 4.45Å; S853-A857 VanDerWaalsContact O-CB 3.31Å; S853-A857 WeakPolarHBondContact O-CB 3.21Å; S853-A857 PolarHBondContact O-N 3.06Å; C854-A857 WeakPolarHBondContact O-CB 3.41Å; C854-A857 PolarHBondContact O-N 2.63Å; A857-R859 VanDerWaalsContact C-N 3.34Å; A857-R859 PolarHBondContact O-N 2.87Å; A857-V860 PolarHBondContact O-N 3.32Å; A857-L861 WeakPolarHBondContact O-CG 3.37Å; A857-L861 PolarHBondContact O-N 3.04Å
858	I	90.6	Very high	86.6	Confident	17 Å²	17	26.8 Å²	26.8	9%	0.087	14%	0.143	C	C	.	.	H	α-helix	trans	-62.9	-40.5	175.3	-66.4	164.6	0	0	0	110.9	I833 L837 C854 L855 R856 V860 L861 Q862 L873 F874	I833-I858 HydrophobicContact CG2-CD1 4.14Å; I833-I858 HydrophobicContact CG2-CG1 4.16Å; L837-I858 HydrophobicContact CD1-CD1 4.09Å; C854-I858 VanDerWaalsContact O-CG1 3.31Å; C854-I858 WeakPolarHBondContact O-CG1 3.49Å; C854-I858 PolarHBondContact O-N 2.94Å; L855-I858 PolarHBondContact O-N 3.02Å; R856-I858 PolarHBondContact O-N 2.7Å; I858-V860 VanDerWaalsContact C-N 3.33Å; I858-V860 PolarHBondContact O-N 2.79Å; I858-L861 WeakPolarHBondContact O-CB 3.26Å; I858-L861 PolarHBondContact O-N 2.88Å; I858-Q862 PolarHBondContact O-N 3.16Å; I858-L873 HydrophobicContact CD1-CD2 3.94Å; I858-L873 HydrophobicContact CG2-CD2 4.24Å; I858-F874 HydrophobicContact CB-CZ 4.35Å; I858-F874 HydrophobicContact CG2-CZ 3.95Å
859	R	90.3	Very high	86.1	Confident	13 Å²	13	27.6 Å²	27.6	5%	0.049	15%	0.154	C	C	.	.	H	α-helix	trans	-67.6	-31.9	176.1	-169.9	65.8	-166	124.1	12.1	112.6	L855 R856 A857 K863 F874 A893 D896	L855-R859 PolarHBondContact O-N 3.48Å; R856-R859 PolarHBondContact O-N 2.93Å; A857-R859 VanDerWaalsContact C-N 3.34Å; A857-R859 PolarHBondContact O-N 2.87Å; R859-K863 VanDerWaalsContact O-CG 3.31Å; R859-K863 WeakPolarHBondContact O-CG 3.34Å; R859-K863 PolarHBondContact O-N 2.86Å; R859-F874 HydrophobicContact CB-CZ 3.9Å; R859-A893 HydrophobicContact CB-CB 4.02Å; R859-A893 WeakPolarHBondContact CD-O 3.36Å; R859-A893 HydrophobicContact CG-CB 3.94Å; R859-A893 PolarHBondContact NE-O 3.49Å; R859-D896 PolarHBondContact NH2-O 3.48Å
860	V	87.9	Confident	85.9	Confident	39 Å²	39	30.8 Å²	30.8	24%	0.236	17%	0.17	C	C	.	.	H	α-helix	trans	-67.8	-42.9	171	172.4	0	0	0	0	111.3	A803 R856 A857 I858 Q862 K863 N864	A803-V860 HydrophobicContact CB-CB 4.39Å; A803-V860 WeakPolarHBondContact O-CG1 3.41Å; R856-V860 WeakPolarHBondContact O-CG2 3.46Å; R856-V860 PolarHBondContact O-N 3.07Å; A857-V860 PolarHBondContact O-N 3.32Å; I858-V860 VanDerWaalsContact C-N 3.33Å; I858-V860 PolarHBondContact O-N 2.79Å; V860-Q862 VanDerWaalsContact C-N 3.32Å; V860-Q862 PolarHBondContact O-N 3.19Å; V860-K863 PolarHBondContact O-N 3.47Å; V860-N864 WeakPolarHBondContact O-CB 3.41Å; V860-N864 PolarHBondContact O-N 3Å
861	L	84.3	Confident	85.8	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-59	-40.2	174.8	-75.9	163.9	0	0	0	112.5	V806 V826 L830 I833 A857 I858 G865 H866 V867	V806-L861 HydrophobicContact CG1-CD2 4.07Å; V806-L861 HydrophobicContact CG2-CD2 3.82Å; V826-L861 HydrophobicContact CG1-CD2 3.81Å; L830-L861 HydrophobicContact CD2-CD1 3.73Å; L830-L861 HydrophobicContact CG-CD1 4.23Å; I833-L861 HydrophobicContact CD1-CD1 3.95Å; A857-L861 WeakPolarHBondContact O-CG 3.37Å; A857-L861 PolarHBondContact O-N 3.04Å; I858-L861 WeakPolarHBondContact O-CB 3.26Å; I858-L861 PolarHBondContact O-N 2.88Å; L861-G865 PolarHBondContact O-N 3.38Å; L861-H866 HydrophobicContact CD2-CB 4.25Å; L861-H866 PolarHBondContact O-N 2.99Å; L861-V867 HydrophobicContact CB-CB 4.36Å; L861-V867 HydrophobicContact CB-CG2 3.84Å; L861-V867 PolarHBondContact O-N 2.83Å
862	Q	84.1	Confident	85.7	Confident	17 Å²	17	34.3 Å²	34.3	8%	0.079	20%	0.199	C	C	.	.	H	α-helix	trans	-66.3	-48.2	172.5	-74	-173.4	-21.3	0	0	112.8	I858 V860 N864 G865 V867 P868 D870	I858-Q862 PolarHBondContact O-N 3.16Å; V860-Q862 VanDerWaalsContact C-N 3.32Å; V860-Q862 PolarHBondContact O-N 3.19Å; Q862-N864 PolarHBondContact O-N 2.89Å; Q862-G865 PolarHBondContact O-N 2.78Å; Q862-V867 HydrophobicContact CG-CB 4.1Å; Q862-V867 HydrophobicContact CG-CG1 4.02Å; Q862-P868 WeakPolarHBondContact CG-O 3.35Å; Q862-P868 PolarHBondContact NE2-O 3.05Å; Q862-D870 PolarHBondContact NE2-O 2.88Å
863	K	82.8	Confident	85.6	Confident	101 Å²	101	37.1 Å²	37.1	44%	0.439	21%	0.213	S	C	.	.	H	α-helix	trans	-58	-31.5	177	-76.9	172.4	178.4	176.2	0	112.5	R859 V860 G865 D896	R859-K863 VanDerWaalsContact O-CG 3.31Å; R859-K863 WeakPolarHBondContact O-CG 3.34Å; R859-K863 PolarHBondContact O-N 2.86Å; V860-K863 PolarHBondContact O-N 3.47Å; K863-G865 VanDerWaalsContact C-N 3.34Å; K863-D896 WeakPolarHBondContact CE-OD2 3.48Å; K863-D896 IonicContact NZ-OD2 2.78Å; K863-D896 PolarHBondContact NZ-OD2 3.3Å
864	N	81.1	Confident	85.6	Confident	29 Å²	29	37 Å²	37	16%	0.155	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	1.2	176.9	-73.4	-15.6	0	0	0	113.9	V806 A809 V860 Q862 H866	V806-N864 HydrophobicContact CG1-CB 4.15Å; V806-N864 WeakPolarHBondContact CG1-ND2 3.2Å; V806-N864 PolarHBondContact O-ND2 3.09Å; A809-N864 WeakPolarHBondContact CB-O 3.36Å; A809-N864 PolarHBondContact N-O 2.59Å; V860-N864 WeakPolarHBondContact O-CB 3.41Å; V860-N864 PolarHBondContact O-N 3Å; Q862-N864 PolarHBondContact O-N 2.89Å; N864-H866 PolarHBondContact O-N 2.65Å
865	G	75.3	Confident	85.6	Confident	35 Å²	35	39.7 Å²	39.7	36%	0.361	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	17.1	175.7	0	0	0	0	0	115.7	R817 L861 Q862 K863	R817-G865 PolarHBondContact NH1-O 3.17Å; L861-G865 PolarHBondContact O-N 3.38Å; Q862-G865 PolarHBondContact O-N 2.78Å; K863-G865 VanDerWaalsContact C-N 3.34Å
866	H	74.4	Confident	85.6	Confident	12 Å²	12	41.9 Å²	41.9	6%	0.056	24%	0.239	C	C	.	.	S	Bend	trans	-87.1	-31.2	177.5	-67.7	-83.6	0	0	0	113	V806 T807 L822 V826 L861 N864	V806-H866 WeakPolarHBondContact CG1-CD2 3.28Å; V806-H866 WeakPolarHBondContact CG1-NE2 3.48Å; T807-H866 PolarHBondContact O-NE2 3.02Å; L822-H866 WeakPolarHBondContact CD2-O 3.44Å; V826-H866 HydrophobicContact CG1-CB 4.02Å; L861-H866 HydrophobicContact CD2-CB 4.25Å; L861-H866 PolarHBondContact O-N 2.99Å; N864-H866 PolarHBondContact O-N 2.65Å
867	V	77.8	Confident	85.7	Confident	31 Å²	31	39.5 Å²	39.5	19%	0.188	23%	0.23	C	C	.	.	S	Bend	trans	-115.1	139.2	177.7	173.9	0	0	0	0	107.5	L830 L861 Q862	L830-V867 HydrophobicContact CD1-CG2 4.27Å; L830-V867 HydrophobicContact CD2-CG2 4.16Å; L861-V867 HydrophobicContact CB-CB 4.36Å; L861-V867 HydrophobicContact CB-CG2 3.84Å; L861-V867 PolarHBondContact O-N 2.83Å; Q862-V867 HydrophobicContact CG-CB 4.1Å; Q862-V867 HydrophobicContact CG-CG1 4.02Å
868	P	79.4	Confident	85.7	Confident	62 Å²	62	39.5 Å²	39.5	40%	0.403	23%	0.231	S	C	.	.			trans	-54.7	146.5	176.1	22.8	-34.8	0	0	0	111.9	Q862 D870	Q862-P868 WeakPolarHBondContact CG-O 3.35Å; Q862-P868 PolarHBondContact NE2-O 3.05Å; P868-D870 WeakPolarHBondContact CB-OD2 3.46Å; P868-D870 WeakPolarHBondContact CG-OD2 3.23Å; P868-D870 PolarHBondContact O-N 3.48Å
869	S	77.6	Confident	85.7	Confident	64 Å²	64	44.2 Å²	44.2	45%	0.448	25%	0.252	S	S	.	.			trans	-77.2	67.1	-179.1	52	0	0	0	0	111	Y897	S869-Y897 VanDerWaalsContact O-CE2 3.26Å; S869-Y897 WeakPolarHBondContact O-CE2 2.81Å; S869-Y897 PolarHBondContact O-OH 3.12Å; S869-Y897 VanDerWaalsContact O-OH 3.05Å
870	D	84.8	Confident	85.5	Confident	91 Å²	91	48.9 Å²	48.9	49%	0.487	27%	0.27	S	S	.	.			trans	-99.5	124.2	175.8	-65.1	-55	0	0	0	111	Q862 P868 A872	Q862-D870 PolarHBondContact NE2-O 2.88Å; P868-D870 WeakPolarHBondContact CB-OD2 3.46Å; P868-D870 WeakPolarHBondContact CG-OD2 3.23Å; P868-D870 PolarHBondContact O-N 3.48Å; D870-A872 VanDerWaalsContact C-N 3.35Å
871	P	88.3	Confident	85.2	Confident	17 Å²	17	50.4 Å²	50.4	11%	0.11	29%	0.294	C	S	.	.			trans	-82.2	-12.2	175.3	31.5	-33.3	0	0	0	113.1	L873 F874 K875 V894 Y897 E906	P871-L873 VanDerWaalsContact C-N 3.32Å; P871-L873 PolarHBondContact O-N 2.91Å; P871-F874 PolarHBondContact O-N 2.89Å; P871-K875 PolarHBondContact O-N 3.41Å; P871-V894 HydrophobicContact CB-CG2 4.47Å; P871-Y897 HydrophobicContact CB-CD1 4.37Å; P871-Y897 HydrophobicContact CB-CD2 4.24Å; P871-Y897 HydrophobicContact CB-CE1 4.42Å; P871-Y897 HydrophobicContact CB-CE2 4.25Å; P871-Y897 HydrophobicContact CB-CG 4.32Å; P871-Y897 HydrophobicContact CG-CE1 4.3Å; P871-Y897 HydrophobicContact CG-CE2 4.36Å; P871-E906 HydrophobicContact CG-CG 4.22Å; P871-E906 WeakPolarHBondContact CG-OE1 3.32Å
872	A	90.9	Very high	85.3	Confident	67 Å²	67	53.6 Å²	53.6	55%	0.554	31%	0.309	S	S	*	.	H	α-helix	trans	-55.9	-39.3	-170.5	0	0	0	0	0	114.2	D870 K875 S876	D870-A872 VanDerWaalsContact C-N 3.35Å; A872-K875 PolarHBondContact O-N 3Å; A872-S876 PolarHBondContact O-N 3.05Å
873	L	90.8	Very high	85.5	Confident	73 Å²	73	55.5 Å²	55.5	38%	0.382	32%	0.317	S	S	.	.	H	α-helix	trans	-61.3	-48.3	175.7	-171.7	69.3	0	0	0	111	I858 P871 K875 S876 Y877	I858-L873 HydrophobicContact CD1-CD2 3.94Å; I858-L873 HydrophobicContact CG2-CD2 4.24Å; P871-L873 VanDerWaalsContact C-N 3.32Å; P871-L873 PolarHBondContact O-N 2.91Å; L873-K875 VanDerWaalsContact C-N 3.34Å; L873-K875 PolarHBondContact O-N 2.81Å; L873-S876 PolarHBondContact O-N 3.25Å; L873-S876 PolarHBondContact O-OG 2.83Å; L873-Y877 HydrophobicContact CD1-CD2 4.27Å; L873-Y877 HydrophobicContact CD1-CE2 3.74Å; L873-Y877 HydrophobicContact CG-CD2 4.1Å; L873-Y877 HydrophobicContact CG-CE2 3.93Å; L873-Y877 VanDerWaalsContact O-CD2 3.32Å; L873-Y877 WeakPolarHBondContact O-CD2 3.2Å; L873-Y877 PolarHBondContact O-N 2.98Å
874	F	92.4	Very high	85.8	Confident	1 Å²	1	51.5 Å²	51.5	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-67.4	-32.5	178.7	-56.7	-64	0	0	0	112.6	L855 I858 R859 P871 Y877 A878 A890 A893	L855-F874 HydrophobicContact CB-CE1 4.21Å; L855-F874 HydrophobicContact CD2-CD1 4.15Å; L855-F874 HydrophobicContact CD2-CE1 4.01Å; I858-F874 HydrophobicContact CB-CZ 4.35Å; I858-F874 HydrophobicContact CG2-CZ 3.95Å; R859-F874 HydrophobicContact CB-CZ 3.9Å; P871-F874 PolarHBondContact O-N 2.89Å; F874-Y877 PolarHBondContact O-N 3.27Å; F874-A878 VanDerWaalsContact O-CB 3.29Å; F874-A878 WeakPolarHBondContact O-CB 3.35Å; F874-A878 PolarHBondContact O-N 3.48Å; F874-A890 HydrophobicContact CB-CB 4.35Å; F874-A890 WeakPolarHBondContact O-CB 3.1Å; F874-A893 HydrophobicContact CD1-CB 3.45Å; F874-A893 VanDerWaalsContact CD1-CB 3.45Å; F874-A893 HydrophobicContact CD2-CB 4.08Å; F874-A893 HydrophobicContact CE1-CB 3.5Å; F874-A893 HydrophobicContact CE2-CB 4.12Å; F874-A893 HydrophobicContact CG-CB 3.75Å; F874-A893 HydrophobicContact CZ-CB 3.85Å
875	K	91.4	Very high	86.2	Confident	56 Å²	56	52.2 Å²	52.2	24%	0.243	31%	0.305	C	S	.	.	H	α-helix	trans	-56.3	-52.6	171	-69.7	-174.1	-179.6	174.5	0	111.3	P871 A872 L873 Y877 A878 E879 E906 W909	P871-K875 PolarHBondContact O-N 3.41Å; A872-K875 PolarHBondContact O-N 3Å; L873-K875 VanDerWaalsContact C-N 3.34Å; L873-K875 PolarHBondContact O-N 2.81Å; K875-Y877 VanDerWaalsContact C-N 3.35Å; K875-Y877 PolarHBondContact O-N 3.24Å; K875-A878 PolarHBondContact O-N 2.91Å; K875-E879 PolarHBondContact O-N 3.1Å; K875-E906 WeakPolarHBondContact CE-OE1 3.46Å; K875-E906 WeakPolarHBondContact CE-OE2 3.46Å; K875-E906 VanDerWaalsContact NZ-CD 3.35Å; K875-E906 IonicContact NZ-OE1 2.75Å; K875-E906 PolarHBondContact NZ-OE1 3.12Å; K875-E906 IonicContact NZ-OE2 2.64Å; K875-E906 PolarHBondContact NZ-OE2 2.78Å; K875-W909 HydrophobicContact CB-CH2 4.2Å; K875-W909 HydrophobicContact CB-CZ2 4.07Å; K875-W909 HydrophobicContact CD-CZ2 4.4Å; K875-W909 HydrophobicContact CG-CH2 3.87Å; K875-W909 HydrophobicContact CG-CZ2 3.88Å; K875-W909 HydrophobicContact CG-CZ3 4.26Å
876	S	92.9	Very high	87	Confident	47 Å²	47	50.9 Å²	50.9	33%	0.329	29%	0.29	S	S	.	.	H	α-helix	trans	-58.8	-42.5	-179.5	68.8	0	0	0	0	112.9	A872 L873 A878 E879 H882	A872-S876 PolarHBondContact O-N 3.05Å; L873-S876 PolarHBondContact O-N 3.25Å; L873-S876 PolarHBondContact O-OG 2.83Å; S876-A878 VanDerWaalsContact C-N 3.3Å; S876-A878 PolarHBondContact O-N 3.08Å; S876-E879 WeakPolarHBondContact O-CB 3.16Å; S876-E879 PolarHBondContact O-N 3.32Å; S876-H882 PolarHBondContact O-CD2 2.96Å
877	Y	91.9	Very high	87.9	Confident	56 Å²	56	50.7 Å²	50.7	22%	0.22	29%	0.288	C	S	.	.	H	α-helix	trans	-73.9	-15.7	176.8	-74.2	-64.2	0	0	0	114.7	L855 L873 F874 K875 I886	L855-Y877 HydrophobicContact CD1-CD2 4.36Å; L855-Y877 HydrophobicContact CD1-CG 4.22Å; L855-Y877 HydrophobicContact CD2-CD2 3.57Å; L855-Y877 HydrophobicContact CD2-CE2 3.82Å; L855-Y877 HydrophobicContact CD2-CG 4.25Å; L873-Y877 HydrophobicContact CD1-CD2 4.27Å; L873-Y877 HydrophobicContact CD1-CE2 3.74Å; L873-Y877 HydrophobicContact CG-CD2 4.1Å; L873-Y877 HydrophobicContact CG-CE2 3.93Å; L873-Y877 VanDerWaalsContact O-CD2 3.32Å; L873-Y877 WeakPolarHBondContact O-CD2 3.2Å; L873-Y877 PolarHBondContact O-N 2.98Å; F874-Y877 PolarHBondContact O-N 3.27Å; K875-Y877 VanDerWaalsContact C-N 3.35Å; K875-Y877 PolarHBondContact O-N 3.24Å; Y877-I886 HydrophobicContact CD1-CG2 3.88Å; Y877-I886 HydrophobicContact CG-CG2 4.3Å
878	A	91.9	Very high	88.5	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.008	28%	0.284	C	S	.	.	H	α-helix	trans	-88	-9.3	173.3	0	0	0	0	0	113.4	F874 K875 S876 R887 A890 L891 W909 M913	F874-A878 VanDerWaalsContact O-CB 3.29Å; F874-A878 WeakPolarHBondContact O-CB 3.35Å; F874-A878 PolarHBondContact O-N 3.48Å; K875-A878 PolarHBondContact O-N 2.91Å; S876-A878 VanDerWaalsContact C-N 3.3Å; S876-A878 PolarHBondContact O-N 3.08Å; A878-R887 VanDerWaalsContact O-CZ 3.32Å; A878-R887 PolarHBondContact O-NE 3.29Å; A878-R887 PolarHBondContact O-NH2 3.25Å; A878-A890 HydrophobicContact CB-CB 4.14Å; A878-L891 HydrophobicContact CB-CD2 3.99Å; A878-L891 HydrophobicContact CB-CG 3.95Å; A878-W909 HydrophobicContact CB-CH2 4.08Å; A878-M913 HydrophobicContact CB-CE 4.35Å
879	E	89	Confident	89.1	Confident	116 Å²	116	47.2 Å²	47.2	54%	0.542	27%	0.265	S	S	.	.	S	Bend	trans	-62.1	155	177.3	-73	176	-149.6	0	0	112.8	K875 S876 R887	K875-E879 PolarHBondContact O-N 3.1Å; S876-E879 WeakPolarHBondContact O-CB 3.16Å; S876-E879 PolarHBondContact O-N 3.32Å; E879-R887 WeakPolarHBondContact O-CD 3.21Å; E879-R887 PolarHBondContact O-NE 3.31Å
880	Y	85.9	Confident	89.9	Confident	110 Å²	110	44.2 Å²	44.2	43%	0.431	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	134.4	-179.7	179.1	-91.4	0	0	0	111	E311 P918 V919	E311-Y880 VanDerWaalsContact OE1-CE2 3.31Å; E311-Y880 WeakPolarHBondContact OE1-CE2 3.45Å; E311-Y880 PolarHBondContact OE1-OH 3.13Å; Y880-P918 HydrophobicContact CD2-CG 3.48Å; Y880-P918 VanDerWaalsContact CD2-CG 3.48Å; Y880-P918 HydrophobicContact CE2-CG 3.4Å; Y880-P918 VanDerWaalsContact CE2-CG 3.4Å; Y880-P918 HydrophobicContact CG-CG 4.26Å; Y880-V919 HydrophobicContact CD2-CG2 4.04Å; Y880-V919 HydrophobicContact CE2-CG2 3.83Å
881	G	81.9	Confident	90.3	Very high	71 Å²	71	40.1 Å²	40.1	73%	0.732	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	109.6	-15	-172.7	0	0	0	0	0	113.8
882	H	86.4	Confident	90.5	Very high	68 Å²	68	41.6 Å²	41.6	32%	0.315	23%	0.228	S	C	.	.	S	Bend	trans	-79.5	150.9	164.2	-78.2	-66.6	0	0	0	111.9	S876 R887	S876-H882 PolarHBondContact O-CD2 2.96Å; H882-R887 HydrophobicContact CB-CG 3.73Å; H882-R887 VanDerWaalsContact O-CD 3.26Å; H882-R887 WeakPolarHBondContact O-CD 3.45Å; H882-R887 WeakPolarHBondContact O-CG 3.39Å
883	F	88.4	Confident	90.5	Very high	58 Å²	58	38.6 Å²	38.6	25%	0.254	20%	0.203	S	C	.	.			trans	-60.6	146.2	178.7	-177.3	-103.1	0	0	0	111.9	N328 R847 D885 I886 R887	N328-F883 WeakPolarHBondContact OD1-CE2 3.12Å; N328-F883 VanDerWaalsContact OD1-CZ 3.29Å; N328-F883 WeakPolarHBondContact OD1-CZ 3.09Å; R847-F883 HydrophobicContact CB-CD1 4.36Å; R847-F883 HydrophobicContact CB-CE1 3.56Å; R847-F883 HydrophobicContact CB-CZ 4.06Å; R847-F883 HydrophobicContact CG-CE1 3.73Å; R847-F883 HydrophobicContact CG-CZ 3.7Å; R847-F883 WeakPolarHBondContact O-CD1 3.47Å; F883-D885 VanDerWaalsContact C-N 3.32Å; F883-D885 HydrophobicContact CD1-CB 3.96Å; F883-D885 HydrophobicContact CE1-CB 3.76Å; F883-D885 PolarHBondContact O-N 3.14Å; F883-I886 HydrophobicContact CB-CD1 4.07Å; F883-I886 HydrophobicContact CB-CG1 4.23Å; F883-I886 WeakPolarHBondContact O-CB 3.27Å; F883-I886 PolarHBondContact O-N 3.22Å; F883-R887 PolarHBondContact O-N 3.01Å
884	V	89.3	Confident	90.6	Very high	17 Å²	17	35.2 Å²	35.2	10%	0.103	19%	0.185	C	C	.	.	H	α-helix	trans	-53.3	-44.8	-169.5	179.2	0	0	0	0	112.7	I886 R887 I888 Y921 V922	V884-I886 PolarHBondContact O-N 3.5Å; V884-R887 PolarHBondContact O-N 2.94Å; V884-I888 HydrophobicContact CG1-CD1 3.75Å; V884-I888 HydrophobicContact CG1-CG1 4.44Å; V884-I888 WeakPolarHBondContact O-CB 3.37Å; V884-I888 VanDerWaalsContact O-CG1 3.31Å; V884-I888 WeakPolarHBondContact O-CG1 3.4Å; V884-I888 PolarHBondContact O-N 3.13Å; V884-Y921 HydrophobicContact CG1-CD1 4.21Å; V884-Y921 HydrophobicContact CG1-CE1 4.42Å; V884-V922 HydrophobicContact CG1-CG2 4.48Å
885	D	89.3	Confident	90.5	Very high	44 Å²	44	35.1 Å²	35.1	24%	0.235	19%	0.185	C	C	.	.	H	α-helix	trans	-71	-30.2	-178.5	-64.3	-11.8	0	0	0	112.6	R847 V852 F883 A889	R847-D885 WeakPolarHBondContact CD-OD2 3.1Å; V852-D885 HydrophobicContact CG2-CB 4.17Å; F883-D885 VanDerWaalsContact C-N 3.32Å; F883-D885 HydrophobicContact CD1-CB 3.96Å; F883-D885 HydrophobicContact CE1-CB 3.76Å; F883-D885 PolarHBondContact O-N 3.14Å; D885-A889 VanDerWaalsContact O-CB 3.26Å; D885-A889 WeakPolarHBondContact O-CB 3.43Å; D885-A889 PolarHBondContact O-N 3.35Å
886	I	91.7	Very high	90.4	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.036	18%	0.181	C	C	.	.	H	α-helix	trans	-66.9	-49.1	171.9	-54.6	175.4	0	0	0	109.8	H848 T851 L855 Y877 F883 V884 I888 A889 A890	H848-I886 HydrophobicContact CB-CD1 3.63Å; H848-I886 HydrophobicContact CB-CG1 3.72Å; T851-I886 HydrophobicContact CG2-CD1 4.48Å; T851-I886 HydrophobicContact CG2-CG1 4.4Å; T851-I886 HydrophobicContact CG2-CG2 4.2Å; L855-I886 HydrophobicContact CD1-CG2 3.97Å; Y877-I886 HydrophobicContact CD1-CG2 3.88Å; Y877-I886 HydrophobicContact CG-CG2 4.3Å; F883-I886 HydrophobicContact CB-CD1 4.07Å; F883-I886 HydrophobicContact CB-CG1 4.23Å; F883-I886 WeakPolarHBondContact O-CB 3.27Å; F883-I886 PolarHBondContact O-N 3.22Å; V884-I886 PolarHBondContact O-N 3.5Å; I886-I888 VanDerWaalsContact C-N 3.29Å; I886-I888 PolarHBondContact O-N 3.33Å; I886-A889 PolarHBondContact O-N 3.28Å; I886-A890 WeakPolarHBondContact O-CB 3.11Å; I886-A890 PolarHBondContact O-N 2.84Å
887	R	93.1	Very high	90.2	Very high	7 Å²	7	32.3 Å²	32.3	3%	0.026	17%	0.168	C	C	.	.	H	α-helix	trans	-58.9	-45.4	179.4	-64.9	-172	73.6	-149.7	-0.4	110.2	A878 E879 H882 F883 V884 A890 L891 D917	A878-R887 VanDerWaalsContact O-CZ 3.32Å; A878-R887 PolarHBondContact O-NE 3.29Å; A878-R887 PolarHBondContact O-NH2 3.25Å; E879-R887 WeakPolarHBondContact O-CD 3.21Å; E879-R887 PolarHBondContact O-NE 3.31Å; H882-R887 HydrophobicContact CB-CG 3.73Å; H882-R887 VanDerWaalsContact O-CD 3.26Å; H882-R887 WeakPolarHBondContact O-CD 3.45Å; H882-R887 WeakPolarHBondContact O-CG 3.39Å; F883-R887 PolarHBondContact O-N 3.01Å; V884-R887 PolarHBondContact O-N 2.94Å; R887-A890 PolarHBondContact O-N 3.46Å; R887-L891 WeakPolarHBondContact O-CB 3.19Å; R887-L891 VanDerWaalsContact O-CD1 3.29Å; R887-L891 WeakPolarHBondContact O-CD1 3.45Å; R887-L891 WeakPolarHBondContact O-CG 3.46Å; R887-L891 PolarHBondContact O-N 3.29Å; R887-D917 IonicContact CZ-OD1 2.69Å; R887-D917 IonicContact NH1-OD1 3.79Å; R887-D917 PolarHBondContact NH1-OD1 3.45Å; R887-D917 IonicContact NH1-OD2 3.05Å; R887-D917 PolarHBondContact NH1-OD2 2.93Å; R887-D917 IonicContact NH2-OD1 3.74Å; R887-D917 PolarHBondContact NH2-OD1 3.43Å; R887-D917 IonicContact NH2-OD2 3.75Å
888	I	91.4	Very high	89.9	Confident	19 Å²	19	29.7 Å²	29.7	10%	0.097	16%	0.157	C	C	.	.	H	α-helix	trans	-60	-52.2	174.7	-69.5	169.3	0	0	0	110.3	V884 I886 A890 L891 E892 Y921 K925	V884-I888 HydrophobicContact CG1-CD1 3.75Å; V884-I888 HydrophobicContact CG1-CG1 4.44Å; V884-I888 WeakPolarHBondContact O-CB 3.37Å; V884-I888 VanDerWaalsContact O-CG1 3.31Å; V884-I888 WeakPolarHBondContact O-CG1 3.4Å; V884-I888 PolarHBondContact O-N 3.13Å; I886-I888 VanDerWaalsContact C-N 3.29Å; I886-I888 PolarHBondContact O-N 3.33Å; I888-A890 VanDerWaalsContact C-N 3.3Å; I888-A890 PolarHBondContact O-N 3.33Å; I888-L891 CarbonylContact O-C 3.57Å; I888-L891 WeakPolarHBondContact O-CA 3.27Å; I888-L891 WeakPolarHBondContact O-CB 3.09Å; I888-L891 PolarHBondContact O-N 2.82Å; I888-E892 HydrophobicContact CG2-CG 4.15Å; I888-E892 WeakPolarHBondContact O-CG 3.45Å; I888-E892 PolarHBondContact O-N 2.88Å; I888-Y921 HydrophobicContact CD1-CD1 4.09Å; I888-Y921 HydrophobicContact CD1-CE1 3.68Å; I888-K925 HydrophobicContact CD1-CG 4.11Å
889	A	91.9	Very high	89.7	Confident	2 Å²	2	33.6 Å²	33.6	2%	0.017	17%	0.174	C	C	.	.	H	α-helix	trans	-53.8	-43.2	179.4	0	0	0	0	0	113.4	V852 L855 D885 I886 E892 A893	V852-A889 HydrophobicContact CB-CB 4.22Å; V852-A889 HydrophobicContact CG1-CB 3.87Å; V852-A889 HydrophobicContact CG2-CB 4.02Å; L855-A889 HydrophobicContact CD1-CB 4.27Å; D885-A889 VanDerWaalsContact O-CB 3.26Å; D885-A889 WeakPolarHBondContact O-CB 3.43Å; D885-A889 PolarHBondContact O-N 3.35Å; I886-A889 PolarHBondContact O-N 3.28Å; A889-E892 WeakPolarHBondContact O-CB 3.31Å; A889-E892 PolarHBondContact O-N 3.48Å; A889-A893 PolarHBondContact O-N 2.94Å; A889-A893 VanDerWaalsContact O-N 3.13Å
890	A	94.1	Very high	89.5	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.5	-35.3	175.3	0	0	0	0	0	112.6	L855 F874 A878 I886 R887 I888 A893 V894	L855-A890 HydrophobicContact CD1-CB 4.36Å; F874-A890 HydrophobicContact CB-CB 4.35Å; F874-A890 WeakPolarHBondContact O-CB 3.1Å; A878-A890 HydrophobicContact CB-CB 4.14Å; I886-A890 WeakPolarHBondContact O-CB 3.11Å; I886-A890 PolarHBondContact O-N 2.84Å; R887-A890 PolarHBondContact O-N 3.46Å; I888-A890 VanDerWaalsContact C-N 3.3Å; I888-A890 PolarHBondContact O-N 3.33Å; A890-A893 WeakPolarHBondContact O-CB 3.49Å; A890-A893 PolarHBondContact O-N 3.06Å; A890-V894 PolarHBondContact O-N 2.76Å
891	L	93.1	Very high	89.3	Confident	5 Å²	5	31.1 Å²	31.1	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-74.1	-31	174.5	-68.9	162.7	0	0	0	112.8	A878 R887 I888 A893 V894 V895 L910 M913 V922 I926	A878-L891 HydrophobicContact CB-CD2 3.99Å; A878-L891 HydrophobicContact CB-CG 3.95Å; R887-L891 WeakPolarHBondContact O-CB 3.19Å; R887-L891 VanDerWaalsContact O-CD1 3.29Å; R887-L891 WeakPolarHBondContact O-CD1 3.45Å; R887-L891 WeakPolarHBondContact O-CG 3.46Å; R887-L891 PolarHBondContact O-N 3.29Å; I888-L891 CarbonylContact O-C 3.57Å; I888-L891 WeakPolarHBondContact O-CA 3.27Å; I888-L891 WeakPolarHBondContact O-CB 3.09Å; I888-L891 PolarHBondContact O-N 2.82Å; L891-A893 VanDerWaalsContact C-N 3.29Å; L891-V894 HydrophobicContact CD2-CG1 4.07Å; L891-V894 PolarHBondContact O-N 3Å; L891-V895 WeakPolarHBondContact O-CB 3.37Å; L891-V895 WeakPolarHBondContact O-CG2 3.48Å; L891-V895 PolarHBondContact O-N 3.12Å; L891-L910 HydrophobicContact CD2-CD1 3.81Å; L891-M913 HydrophobicContact CD1-SD 4.22Å; L891-M913 HydrophobicContact CD2-CE 4.43Å; L891-M913 HydrophobicContact CD2-SD 3.75Å; L891-V922 HydrophobicContact CD1-CG1 3.43Å; L891-V922 VanDerWaalsContact CD1-CG1 3.43Å; L891-I926 HydrophobicContact CB-CG1 4.39Å; L891-I926 HydrophobicContact CD1-CD1 3.84Å; L891-I926 HydrophobicContact CD1-CG1 3.81Å; L891-I926 HydrophobicContact CD2-CD1 4.06Å; L891-I926 HydrophobicContact CD2-CG1 4.14Å; L891-I926 HydrophobicContact CG-CG1 4.34Å
892	E	92.3	Very high	89.3	Confident	48 Å²	48	32.6 Å²	32.6	22%	0.224	16%	0.159	C	C	.	.	H	α-helix	trans	-58.9	-47	167.3	-46.2	-159.7	123	0	0	109.4	R856 I888 A889 D896 M929	R856-E892 IonicContact CZ-OE2 3.63Å; R856-E892 VanDerWaalsContact CZ-OE2 3.26Å; R856-E892 IonicContact NE-OE2 3.2Å; R856-E892 PolarHBondContact NE-OE2 2.82Å; R856-E892 IonicContact NH2-OE1 3.06Å; R856-E892 IonicContact NH2-OE2 2.62Å; R856-E892 PolarHBondContact NH2-OE2 3.25Å; I888-E892 HydrophobicContact CG2-CG 4.15Å; I888-E892 WeakPolarHBondContact O-CG 3.45Å; I888-E892 PolarHBondContact O-N 2.88Å; A889-E892 WeakPolarHBondContact O-CB 3.31Å; A889-E892 PolarHBondContact O-N 3.48Å; E892-D896 WeakPolarHBondContact O-CB 3.19Å; E892-D896 PolarHBondContact O-N 3.24Å; E892-M929 HydrophobicContact CB-CE 3.58Å; E892-M929 HydrophobicContact CB-SD 4.25Å; E892-M929 HydrophobicContact CG-CE 3.5Å; E892-M929 HydrophobicContact CG-SD 3.69Å
893	A	90.6	Very high	89.2	Confident	4 Å²	4	30.7 Å²	30.7	3%	0.033	15%	0.154	C	C	.	.	H	α-helix	trans	-65	-38.5	-179.2	0	0	0	0	0	113.1	R859 F874 A889 A890 L891 D896 Y897	R859-A893 HydrophobicContact CB-CB 4.02Å; R859-A893 WeakPolarHBondContact CD-O 3.36Å; R859-A893 HydrophobicContact CG-CB 3.94Å; R859-A893 PolarHBondContact NE-O 3.49Å; F874-A893 HydrophobicContact CD1-CB 3.45Å; F874-A893 VanDerWaalsContact CD1-CB 3.45Å; F874-A893 HydrophobicContact CD2-CB 4.08Å; F874-A893 HydrophobicContact CE1-CB 3.5Å; F874-A893 HydrophobicContact CE2-CB 4.12Å; F874-A893 HydrophobicContact CG-CB 3.75Å; F874-A893 HydrophobicContact CZ-CB 3.85Å; A889-A893 PolarHBondContact O-N 2.94Å; A889-A893 VanDerWaalsContact O-N 3.13Å; A890-A893 WeakPolarHBondContact O-CB 3.49Å; A890-A893 PolarHBondContact O-N 3.06Å; L891-A893 VanDerWaalsContact C-N 3.29Å; A893-D896 CarbonylContact O-C 3.42Å; A893-Y897 WeakPolarHBondContact O-CB 3.31Å; A893-Y897 PolarHBondContact O-N 3.14Å
894	V	92.8	Very high	89.1	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.012	16%	0.155	C	C	.	.	H	α-helix	trans	-78.3	-32.1	178.4	89	0	0	0	0	113.3	P871 A890 L891 Y897 T898 W909 L910	P871-V894 HydrophobicContact CB-CG2 4.47Å; A890-V894 PolarHBondContact O-N 2.76Å; L891-V894 HydrophobicContact CD2-CG1 4.07Å; L891-V894 PolarHBondContact O-N 3Å; V894-Y897 WeakPolarHBondContact O-CA 3.36Å; V894-Y897 VanDerWaalsContact O-CB 3.27Å; V894-Y897 WeakPolarHBondContact O-CB 3.36Å; V894-Y897 PolarHBondContact O-N 3.32Å; V894-Y897 VanDerWaalsContact O-N 3.11Å; V894-T898 PolarHBondContact O-N 3.41Å; V894-W909 HydrophobicContact CG1-CZ3 4.25Å; V894-W909 HydrophobicContact CG2-CZ3 4.4Å; V894-L910 HydrophobicContact CG1-CD1 3.98Å
895	V	91.1	Very high	89	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.9	-48.8	168.4	168.7	0	0	0	0	109.2	L891 Y897 T898 K899 L910 M929 L930 N933	L891-V895 WeakPolarHBondContact O-CB 3.37Å; L891-V895 WeakPolarHBondContact O-CG2 3.48Å; L891-V895 PolarHBondContact O-N 3.12Å; V895-Y897 PolarHBondContact O-N 3.05Å; V895-Y897 VanDerWaalsContact O-N 3.17Å; V895-T898 PolarHBondContact O-N 2.94Å; V895-T898 PolarHBondContact O-OG1 3.28Å; V895-K899 PolarHBondContact O-N 2.97Å; V895-K899 VanDerWaalsContact O-N 3.1Å; V895-L910 HydrophobicContact CG2-CD2 3.82Å; V895-M929 HydrophobicContact CG1-CB 4.46Å; V895-M929 HydrophobicContact CG2-CB 4.4Å; V895-L930 HydrophobicContact CG1-CD1 4.24Å; V895-N933 HydrophobicContact CG1-CB 3.83Å
896	D	89.3	Confident	88.9	Confident	29 Å²	29	36 Å²	36	16%	0.155	17%	0.174	C	C	.	.	H	α-helix	trans	-65.2	-15.9	173.6	-85.2	16.7	0	0	0	113.8	R859 K863 E892 A893 V900 N933	R859-D896 PolarHBondContact NH2-O 3.48Å; K863-D896 WeakPolarHBondContact CE-OD2 3.48Å; K863-D896 IonicContact NZ-OD2 2.78Å; K863-D896 PolarHBondContact NZ-OD2 3.3Å; E892-D896 WeakPolarHBondContact O-CB 3.19Å; E892-D896 PolarHBondContact O-N 3.24Å; A893-D896 CarbonylContact O-C 3.42Å; D896-V900 WeakPolarHBondContact O-CG2 3.29Å; D896-N933 PolarHBondContact OD1-ND2 3.22Å
897	Y	89.5	Confident	88.8	Confident	15 Å²	15	35.9 Å²	35.9	6%	0.059	17%	0.173	C	C	.	.	H	α-helix	trans	-75.9	-57.4	169.6	-175.4	-80.6	0	0	0	110.4	S869 P871 A893 V894 V895 K899 V900 D901 E906	S869-Y897 VanDerWaalsContact O-CE2 3.26Å; S869-Y897 WeakPolarHBondContact O-CE2 2.81Å; S869-Y897 PolarHBondContact O-OH 3.12Å; S869-Y897 VanDerWaalsContact O-OH 3.05Å; P871-Y897 HydrophobicContact CB-CD1 4.37Å; P871-Y897 HydrophobicContact CB-CD2 4.24Å; P871-Y897 HydrophobicContact CB-CE1 4.42Å; P871-Y897 HydrophobicContact CB-CE2 4.25Å; P871-Y897 HydrophobicContact CB-CG 4.32Å; P871-Y897 HydrophobicContact CG-CE1 4.3Å; P871-Y897 HydrophobicContact CG-CE2 4.36Å; A893-Y897 WeakPolarHBondContact O-CB 3.31Å; A893-Y897 PolarHBondContact O-N 3.14Å; V894-Y897 WeakPolarHBondContact O-CA 3.36Å; V894-Y897 VanDerWaalsContact O-CB 3.27Å; V894-Y897 WeakPolarHBondContact O-CB 3.36Å; V894-Y897 PolarHBondContact O-N 3.32Å; V894-Y897 VanDerWaalsContact O-N 3.11Å; V895-Y897 PolarHBondContact O-N 3.05Å; V895-Y897 VanDerWaalsContact O-N 3.17Å; Y897-K899 PolarHBondContact O-N 3.4Å; Y897-K899 VanDerWaalsContact O-N 3.09Å; Y897-V900 PolarHBondContact O-N 2.92Å; Y897-D901 HydrophobicContact CD1-CB 4.11Å; Y897-D901 HydrophobicContact CE1-CB 3.59Å; Y897-D901 WeakPolarHBondContact CE1-OD2 3.31Å; Y897-D901 HydrophobicContact CE2-CB 4.44Å; Y897-D901 PolarHBondContact O-N 3.06Å; Y897-D901 VanDerWaalsContact OH-CG 3.23Å; Y897-D901 PolarHBondContact OH-OD2 2.93Å; Y897-E906 HydrophobicContact CD1-CB 4.48Å; Y897-E906 HydrophobicContact CD1-CG 3.97Å; Y897-E906 HydrophobicContact CE1-CG 3.84Å
898	T	86	Confident	88.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-55.5	-31.3	179.4	60.3	0	0	0	0	112.9	V894 V895 R902 E906 L907	V894-T898 PolarHBondContact O-N 3.41Å; V895-T898 PolarHBondContact O-N 2.94Å; V895-T898 PolarHBondContact O-OG1 3.28Å; T898-R902 VanDerWaalsContact O-CA 3.26Å; T898-R902 WeakPolarHBondContact O-CA 3.48Å; T898-R902 PolarHBondContact O-N 3.32Å; T898-R902 VanDerWaalsContact O-N 3.11Å; T898-E906 HydrophobicContact CG2-CB 3.64Å; T898-L907 HydrophobicContact CG2-CB 4.4Å
899	K	86.3	Confident	88.7	Confident	84 Å²	84	40.3 Å²	40.3	37%	0.365	19%	0.191	S	C	.	.	H	α-helix	trans	-71.4	-30.3	176.6	-176.4	176.1	-176.8	-168.8	0	115.1	V895 Y897 N933	V895-K899 PolarHBondContact O-N 2.97Å; V895-K899 VanDerWaalsContact O-N 3.1Å; Y897-K899 PolarHBondContact O-N 3.4Å; Y897-K899 VanDerWaalsContact O-N 3.09Å; K899-N933 HydrophobicContact CD-CB 3.76Å; K899-N933 PolarHBondContact NZ-OD1 3.22Å
900	V	85.1	Confident	88.7	Confident	98 Å²	98	40.2 Å²	40.2	59%	0.594	19%	0.19	S	C	*	.	H	α-helix	trans	-93.5	-50.7	-178.6	174.8	0	0	0	0	110.6	D896 Y897	D896-V900 WeakPolarHBondContact O-CG2 3.29Å; Y897-V900 PolarHBondContact O-N 2.92Å
901	D	81.9	Confident	88.5	Confident	76 Å²	76	40.3 Å²	40.3	41%	0.406	19%	0.191	S	C	.	.	H	α-helix	trans	-83.4	-21.3	-172.7	-170	55.5	0	0	0	113.1	Y897 S903	Y897-D901 HydrophobicContact CD1-CB 4.11Å; Y897-D901 HydrophobicContact CE1-CB 3.59Å; Y897-D901 WeakPolarHBondContact CE1-OD2 3.31Å; Y897-D901 HydrophobicContact CE2-CB 4.44Å; Y897-D901 PolarHBondContact O-N 3.06Å; Y897-D901 VanDerWaalsContact OH-CG 3.23Å; Y897-D901 PolarHBondContact OH-OD2 2.93Å; D901-S903 PolarHBondContact O-N 3.49Å; D901-S903 WeakPolarHBondContact OD2-CB 3.35Å
902	R	82.5	Confident	88.4	Confident	101 Å²	101	43.3 Å²	43.3	38%	0.381	21%	0.207	S	C	.	.			trans	56.7	24.1	-177.4	-53.4	-178.9	-177.4	178	1.8	114.5	T898 Y904 L944	T898-R902 VanDerWaalsContact O-CA 3.26Å; T898-R902 WeakPolarHBondContact O-CA 3.48Å; T898-R902 PolarHBondContact O-N 3.32Å; T898-R902 VanDerWaalsContact O-N 3.11Å; R902-Y904 PolarHBondContact O-N 3.48Å; R902-L944 HydrophobicContact CB-CD1 4.13Å; R902-L944 VanDerWaalsContact O-CD2 3.29Å; R902-L944 WeakPolarHBondContact O-CD2 3.44Å
903	S	84.4	Confident	88.3	Confident	29 Å²	29	42.2 Å²	42.2	20%	0.203	20%	0.202	C	C	.	.			trans	-63.2	128.3	175	175.1	0	0	0	0	112.5	D901	D901-S903 PolarHBondContact O-N 3.49Å; D901-S903 WeakPolarHBondContact OD2-CB 3.35Å
904	Y	84.7	Confident	88.2	Confident	71 Å²	71	42 Å²	42	28%	0.278	20%	0.201	S	C	.	.	H	α-helix	trans	-73.7	-36.5	177.8	179.7	-105.1	0	0	0	112.6	R902 E906 L907 Q908 L944	R902-Y904 PolarHBondContact O-N 3.48Å; Y904-E906 PolarHBondContact O-N 3.21Å; Y904-L907 PolarHBondContact O-N 2.85Å; Y904-Q908 HydrophobicContact CE1-CB 4.49Å; Y904-Q908 VanDerWaalsContact O-CB 3.31Å; Y904-Q908 WeakPolarHBondContact O-CB 3.3Å; Y904-Q908 PolarHBondContact O-N 2.89Å; Y904-Q908 PolarHBondContact OH-OE1 3.01Å; Y904-L944 HydrophobicContact CD2-CD2 3.98Å; Y904-L944 HydrophobicContact CG-CD2 4.4Å
905	E	87.8	Confident	88	Confident	147 Å²	147	44.9 Å²	44.9	69%	0.687	21%	0.214	S	C	*	.	H	α-helix	trans	-65.4	-39.9	-177.4	-60.9	-172.5	178.1	0	0	111.8	Q908 W909	E905-Q908 PolarHBondContact O-N 2.92Å; E905-W909 WeakPolarHBondContact O-CB 3.47Å; E905-W909 PolarHBondContact O-N 2.91Å
906	E	88.1	Confident	87.8	Confident	11 Å²	11	51 Å²	51	5%	0.051	25%	0.246	C	C	.	.	H	α-helix	trans	-65.1	-42.9	175.5	-63.4	-51.8	132.5	0	0	111.9	P871 K875 Y897 T898 Y904 W909 L910	P871-E906 HydrophobicContact CG-CG 4.22Å; P871-E906 WeakPolarHBondContact CG-OE1 3.32Å; K875-E906 WeakPolarHBondContact CE-OE1 3.46Å; K875-E906 WeakPolarHBondContact CE-OE2 3.46Å; K875-E906 VanDerWaalsContact NZ-CD 3.35Å; K875-E906 IonicContact NZ-OE1 2.75Å; K875-E906 PolarHBondContact NZ-OE1 3.12Å; K875-E906 IonicContact NZ-OE2 2.64Å; K875-E906 PolarHBondContact NZ-OE2 2.78Å; Y897-E906 HydrophobicContact CD1-CB 4.48Å; Y897-E906 HydrophobicContact CD1-CG 3.97Å; Y897-E906 HydrophobicContact CE1-CG 3.84Å; T898-E906 HydrophobicContact CG2-CB 3.64Å; Y904-E906 PolarHBondContact O-N 3.21Å; E906-W909 PolarHBondContact O-N 3.08Å; E906-L910 WeakPolarHBondContact O-CB 3.16Å; E906-L910 PolarHBondContact O-N 3.41Å
907	L	88.4	Confident	87.7	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-41.8	175	-177.3	61.4	0	0	0	111.1	T898 Y904 L910 L911 L930 P935 L944 L949	T898-L907 HydrophobicContact CG2-CB 4.4Å; Y904-L907 PolarHBondContact O-N 2.85Å; L907-L910 PolarHBondContact O-N 2.71Å; L907-L911 HydrophobicContact CD1-CD1 3.71Å; L907-L911 HydrophobicContact CG-CD1 4.1Å; L907-L911 VanDerWaalsContact O-CD1 3.25Å; L907-L911 WeakPolarHBondContact O-CD1 3.34Å; L907-L911 PolarHBondContact O-N 2.9Å; L907-L930 HydrophobicContact CD1-CD1 4.32Å; L907-L930 HydrophobicContact CD1-CD2 4.11Å; L907-P935 HydrophobicContact CD1-CG 4.41Å; L907-P935 HydrophobicContact CD2-CG 4.36Å; L907-L944 HydrophobicContact CD2-CD1 4.32Å; L907-L944 HydrophobicContact CD2-CD2 4.2Å; L907-L949 HydrophobicContact CD2-CD1 4.2Å; L907-L949 HydrophobicContact CD2-CD2 3.9Å
908	Q	90.1	Very high	87.4	Confident	48 Å²	48	52.4 Å²	52.4	22%	0.224	26%	0.259	C	S	.	.	H	α-helix	trans	-64.4	-41.8	177.6	-176.2	58.8	83.9	0	0	112	Y904 E905 N912	Y904-Q908 HydrophobicContact CE1-CB 4.49Å; Y904-Q908 VanDerWaalsContact O-CB 3.31Å; Y904-Q908 WeakPolarHBondContact O-CB 3.3Å; Y904-Q908 PolarHBondContact O-N 2.89Å; Y904-Q908 PolarHBondContact OH-OE1 3.01Å; E905-Q908 PolarHBondContact O-N 2.92Å; Q908-N912 PolarHBondContact NE2-OD1 2.84Å; Q908-N912 WeakPolarHBondContact O-CB 3.4Å; Q908-N912 PolarHBondContact O-N 2.95Å; Q908-N912 PolarHBondContact O-ND2 2.9Å; Q908-N912 PolarHBondContact O-OD1 2.88Å
909	W	92.1	Very high	87.5	Confident	71 Å²	71	52.6 Å²	52.6	27%	0.269	26%	0.26	S	S	.	.	H	α-helix	trans	-63.1	-42.8	173.4	177.1	86.1	0	0	0	111.6	K875 A878 V894 E905 E906 N912 M913	K875-W909 HydrophobicContact CB-CH2 4.2Å; K875-W909 HydrophobicContact CB-CZ2 4.07Å; K875-W909 HydrophobicContact CD-CZ2 4.4Å; K875-W909 HydrophobicContact CG-CH2 3.87Å; K875-W909 HydrophobicContact CG-CZ2 3.88Å; K875-W909 HydrophobicContact CG-CZ3 4.26Å; A878-W909 HydrophobicContact CB-CH2 4.08Å; V894-W909 HydrophobicContact CG1-CZ3 4.25Å; V894-W909 HydrophobicContact CG2-CZ3 4.4Å; E905-W909 WeakPolarHBondContact O-CB 3.47Å; E905-W909 PolarHBondContact O-N 2.91Å; E906-W909 PolarHBondContact O-N 3.08Å; W909-N912 WeakPolarHBondContact O-CB 3.45Å; W909-N912 PolarHBondContact O-N 2.84Å; W909-M913 HydrophobicContact CH2-CE 3.36Å; W909-M913 HydrophobicContact CZ2-CE 3.43Å; W909-M913 VanDerWaalsContact CZ2-CE 3.43Å; W909-M913 HydrophobicContact CZ3-CE 4.01Å; W909-M913 PolarHBondContact O-N 2.82Å
910	L	91.9	Very high	87.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-42.9	177.6	-167	66.7	0	0	0	112.3	L891 V894 V895 E906 L907 N912 M913 I914 I926 L930	L891-L910 HydrophobicContact CD2-CD1 3.81Å; V894-L910 HydrophobicContact CG1-CD1 3.98Å; V895-L910 HydrophobicContact CG2-CD2 3.82Å; E906-L910 WeakPolarHBondContact O-CB 3.16Å; E906-L910 PolarHBondContact O-N 3.41Å; L907-L910 PolarHBondContact O-N 2.71Å; L910-N912 VanDerWaalsContact C-N 3.31Å; L910-N912 PolarHBondContact O-N 2.76Å; L910-M913 PolarHBondContact O-N 2.72Å; L910-I914 WeakPolarHBondContact O-CG1 3.42Å; L910-I914 PolarHBondContact O-N 2.64Å; L910-I926 HydrophobicContact CD1-CD1 4.38Å; L910-I926 HydrophobicContact CD1-CG1 4.47Å; L910-I926 HydrophobicContact CD1-CG2 3.54Å; L910-I926 HydrophobicContact CD2-CG2 3.91Å; L910-I926 HydrophobicContact CG-CG2 3.62Å; L910-L930 HydrophobicContact CD2-CD1 4.23Å; L910-L930 HydrophobicContact CD2-CD2 4.18Å
911	L	90.3	Very high	87.5	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-64.1	-34.8	173.5	-93.4	72.3	0	0	0	112.4	L907 I914 Q915 L930 L949 Q952 L953 L956	L907-L911 HydrophobicContact CD1-CD1 3.71Å; L907-L911 HydrophobicContact CG-CD1 4.1Å; L907-L911 VanDerWaalsContact O-CD1 3.25Å; L907-L911 WeakPolarHBondContact O-CD1 3.34Å; L907-L911 PolarHBondContact O-N 2.9Å; L911-I914 HydrophobicContact CD1-CD1 4.46Å; L911-I914 PolarHBondContact O-N 3.36Å; L911-Q915 PolarHBondContact O-N 2.86Å; L911-L930 HydrophobicContact CD1-CD2 4.37Å; L911-L949 HydrophobicContact CD2-CD1 3.62Å; L911-Q952 HydrophobicContact CD2-CB 4.38Å; L911-Q952 HydrophobicContact CD2-CG 4.07Å; L911-L953 HydrophobicContact CD2-CD2 3.95Å; L911-L953 HydrophobicContact CD2-CG 4.22Å; L911-L956 HydrophobicContact CD2-CD1 4.19Å; L911-L956 HydrophobicContact CG-CD1 4.24Å
912	N	90.4	Very high	87.8	Confident	69 Å²	69	43 Å²	43	37%	0.369	21%	0.208	S	C	.	.	H	α-helix	trans	-68.5	-36.5	174.5	-66.4	-13.8	0	0	0	111.5	Q908 W909 L910 Q915 N916 Q952	Q908-N912 PolarHBondContact NE2-OD1 2.84Å; Q908-N912 WeakPolarHBondContact O-CB 3.4Å; Q908-N912 PolarHBondContact O-N 2.95Å; Q908-N912 PolarHBondContact O-ND2 2.9Å; Q908-N912 PolarHBondContact O-OD1 2.88Å; W909-N912 WeakPolarHBondContact O-CB 3.45Å; W909-N912 PolarHBondContact O-N 2.84Å; L910-N912 VanDerWaalsContact C-N 3.31Å; L910-N912 PolarHBondContact O-N 2.76Å; N912-Q915 PolarHBondContact O-N 3.38Å; N912-N916 WeakPolarHBondContact O-CB 3.47Å; N912-N916 PolarHBondContact O-N 2.82Å; N912-Q952 PolarHBondContact OD1-NE2 2.88Å; N912-Q952 VanDerWaalsContact OD1-NE2 3.13Å
913	M	90.3	Very high	88.2	Confident	24 Å²	24	40 Å²	40	12%	0.118	20%	0.197	C	C	.	.	H	α-helix	trans	-66.4	-42.3	171.9	-169.8	179.9	-66.9	0	0	112	A878 L891 W909 L910 Q915 N916 D917 I926	A878-M913 HydrophobicContact CB-CE 4.35Å; L891-M913 HydrophobicContact CD1-SD 4.22Å; L891-M913 HydrophobicContact CD2-CE 4.43Å; L891-M913 HydrophobicContact CD2-SD 3.75Å; W909-M913 HydrophobicContact CH2-CE 3.36Å; W909-M913 HydrophobicContact CZ2-CE 3.43Å; W909-M913 VanDerWaalsContact CZ2-CE 3.43Å; W909-M913 HydrophobicContact CZ3-CE 4.01Å; W909-M913 PolarHBondContact O-N 2.82Å; L910-M913 PolarHBondContact O-N 2.72Å; M913-Q915 PolarHBondContact O-N 2.9Å; M913-Q915 VanDerWaalsContact O-N 3.13Å; M913-N916 PolarHBondContact O-N 2.93Å; M913-D917 HydrophobicContact CG-CB 3.99Å; M913-D917 WeakPolarHBondContact O-CB 3.42Å; M913-D917 PolarHBondContact O-N 3.22Å; M913-I926 HydrophobicContact CG-CD1 4.17Å; M913-I926 HydrophobicContact SD-CD1 3.92Å
914	I	89.6	Confident	88.4	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-55.7	-28.6	173.6	-70.6	159.2	0	0	0	111.9	L910 L911 R923 I926 L927	L910-I914 WeakPolarHBondContact O-CG1 3.42Å; L910-I914 PolarHBondContact O-N 2.64Å; L911-I914 HydrophobicContact CD1-CD1 4.46Å; L911-I914 PolarHBondContact O-N 3.36Å; I914-R923 PolarHBondContact O-NE 3.34Å; I914-R923 PolarHBondContact O-NH2 2.85Å; I914-I926 HydrophobicContact CD1-CG2 3.7Å; I914-I926 HydrophobicContact CG1-CB 4.08Å; I914-I926 HydrophobicContact CG1-CD1 4.42Å; I914-I926 HydrophobicContact CG1-CG2 3.66Å; I914-L927 HydrophobicContact CD1-CD2 3.87Å; I914-L927 HydrophobicContact CD1-CG 4.22Å; I914-L927 HydrophobicContact CG1-CD2 4.47Å; I914-L927 HydrophobicContact CG1-CG 4.34Å; I914-L927 HydrophobicContact CG2-CD1 4.01Å; I914-L927 HydrophobicContact CG2-CD2 4.07Å; I914-L927 HydrophobicContact CG2-CG 4Å
915	Q	87.3	Confident	88.6	Confident	61 Å²	61	38.9 Å²	38.9	29%	0.285	19%	0.19	S	C	.	.	H	α-helix	trans	-88.2	-39.6	176.5	-172.2	55.3	35.7	0	0	114	L911 N912 M913 R923 L956 G960	L911-Q915 PolarHBondContact O-N 2.86Å; N912-Q915 PolarHBondContact O-N 3.38Å; M913-Q915 PolarHBondContact O-N 2.9Å; M913-Q915 VanDerWaalsContact O-N 3.13Å; Q915-R923 VanDerWaalsContact O-CZ 3.31Å; Q915-R923 PolarHBondContact O-NH1 3.45Å; Q915-R923 PolarHBondContact O-NH2 2.9Å; Q915-L956 HydrophobicContact CB-CD2 4.19Å; Q915-G960 PolarHBondContact NE2-O 3.01Å; Q915-G960 VanDerWaalsContact NE2-O 3.09Å; Q915-G960 PolarHBondContact OE1-O 2.88Å
916	N	88.3	Confident	88.8	Confident	128 Å²	128	32 Å²	32	68%	0.684	16%	0.158	S	C	*	.	H	α-helix	trans	-108.6	-15.6	-162.8	-66	-21.4	0	0	0	116	N912 M913	N912-N916 WeakPolarHBondContact O-CB 3.47Å; N912-N916 PolarHBondContact O-N 2.82Å; M913-N916 PolarHBondContact O-N 2.93Å
917	D	87.3	Confident	88.9	Confident	12 Å²	12	31.6 Å²	31.6	6%	0.064	16%	0.156	C	C	.	.			trans	-62	139.3	178.3	-171	67	0	0	0	110.9	R887 M913 V919 R923	R887-D917 IonicContact CZ-OD1 2.69Å; R887-D917 IonicContact NH1-OD1 3.79Å; R887-D917 PolarHBondContact NH1-OD1 3.45Å; R887-D917 IonicContact NH1-OD2 3.05Å; R887-D917 PolarHBondContact NH1-OD2 2.93Å; R887-D917 IonicContact NH2-OD1 3.74Å; R887-D917 PolarHBondContact NH2-OD1 3.43Å; R887-D917 IonicContact NH2-OD2 3.75Å; M913-D917 HydrophobicContact CG-CB 3.99Å; M913-D917 WeakPolarHBondContact O-CB 3.42Å; M913-D917 PolarHBondContact O-N 3.22Å; D917-V919 VanDerWaalsContact C-N 3.33Å; D917-V919 WeakPolarHBondContact OD2-CB 3.38Å; D917-V919 PolarHBondContact OD2-N 3.29Å; D917-V919 VanDerWaalsContact OD2-N 3.09Å; D917-R923 HydrophobicContact CB-CG 3.93Å; D917-R923 VanDerWaalsContact O-CD 3.28Å; D917-R923 WeakPolarHBondContact O-CD 3.36Å; D917-R923 PolarHBondContact O-NH1 3.3Å; D917-R923 VanDerWaalsContact O-NH1 3.09Å
918	P	83.5	Confident	88.9	Confident	63 Å²	63	32.5 Å²	32.5	41%	0.409	16%	0.161	S	C	.	.	S	Bend	trans	-73.1	-21.9	177.1	28.2	-35.8	0	0	0	113.4	H160 Y880 P920	H160-P918 PolarHBondContact CE1-O 3.07Å; Y880-P918 HydrophobicContact CD2-CG 3.48Å; Y880-P918 VanDerWaalsContact CD2-CG 3.48Å; Y880-P918 HydrophobicContact CE2-CG 3.4Å; Y880-P918 VanDerWaalsContact CE2-CG 3.4Å; Y880-P918 HydrophobicContact CG-CG 4.26Å; P918-P920 VanDerWaalsContact O-CD 3.24Å; P918-P920 WeakPolarHBondContact O-CD 3.31Å
919	V	87.4	Confident	88.8	Confident	4 Å²	4	31.8 Å²	31.8	2%	0.024	16%	0.158	C	C	.	.			trans	-89.7	109.1	-169.7	-168.2	0	0	0	0	111.2	E311 Y880 D917 Y921 V922 R923	E311-V919 HydrophobicContact CB-CG1 4.27Å; E311-V919 HydrophobicContact CG-CG1 4.39Å; E311-V919 HydrophobicContact CG-CG2 4.47Å; E311-V919 WeakPolarHBondContact OE1-CG2 3.26Å; Y880-V919 HydrophobicContact CD2-CG2 4.04Å; Y880-V919 HydrophobicContact CE2-CG2 3.83Å; D917-V919 VanDerWaalsContact C-N 3.33Å; D917-V919 WeakPolarHBondContact OD2-CB 3.38Å; D917-V919 PolarHBondContact OD2-N 3.29Å; D917-V919 VanDerWaalsContact OD2-N 3.09Å; V919-Y921 VanDerWaalsContact C-N 3.31Å; V919-Y921 PolarHBondContact O-N 3.3Å; V919-V922 HydrophobicContact CB-CB 4.2Å; V919-V922 HydrophobicContact CB-CG2 4Å; V919-V922 HydrophobicContact CG1-CB 4.37Å; V919-V922 HydrophobicContact CG1-CG2 3.83Å; V919-V922 PolarHBondContact O-N 3.19Å; V919-R923 PolarHBondContact O-N 3.31Å
920	P	84.3	Confident	88.7	Confident	21 Å²	21	28.4 Å²	28.4	14%	0.136	15%	0.145	C	C	.	.	H	α-helix	trans	-66.3	-32.4	-172.4	-23.5	37.4	0	0	0	113.2	Y313 P918 H924 R966	Y313-P920 HydrophobicContact CD2-CB 4.12Å; Y313-P920 HydrophobicContact CE2-CB 4.44Å; P918-P920 VanDerWaalsContact O-CD 3.24Å; P918-P920 WeakPolarHBondContact O-CD 3.31Å; P920-H924 PolarHBondContact O-N 2.84Å; P920-H924 VanDerWaalsContact O-N 3.14Å; P920-R966 VanDerWaalsContact CB-NH2 3.31Å; P920-R966 PolarHBondContact O-NH2 3.47Å
921	Y	87.1	Confident	88.6	Confident	34 Å²	34	29.7 Å²	29.7	13%	0.133	15%	0.153	C	C	.	.	H	α-helix	trans	-66.1	-42	179.5	-174.3	-92.7	0	0	0	112.2	E315 V884 I888 V919 H924 K925	E315-Y921 HydrophobicContact CG-CE2 4.4Å; E315-Y921 WeakPolarHBondContact OE1-CE2 3.34Å; E315-Y921 PolarHBondContact OE1-OH 2.78Å; V884-Y921 HydrophobicContact CG1-CD1 4.21Å; V884-Y921 HydrophobicContact CG1-CE1 4.42Å; I888-Y921 HydrophobicContact CD1-CD1 4.09Å; I888-Y921 HydrophobicContact CD1-CE1 3.68Å; V919-Y921 VanDerWaalsContact C-N 3.31Å; V919-Y921 PolarHBondContact O-N 3.3Å; Y921-H924 PolarHBondContact O-N 3.4Å; Y921-K925 HydrophobicContact CD1-CG 4.12Å; Y921-K925 HydrophobicContact CE1-CD 4.32Å; Y921-K925 VanDerWaalsContact CE1-CE 3.42Å; Y921-K925 HydrophobicContact CE1-CG 3.94Å; Y921-K925 WeakPolarHBondContact O-CG 3.5Å; Y921-K925 PolarHBondContact O-N 3.29Å; Y921-K925 WeakPolarHBondContact OH-CE 3.36Å; Y921-K925 PolarHBondContact OH-NZ 3.26Å
922	V	88.9	Confident	88.4	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-64.1	-47.4	178.1	175.7	0	0	0	0	110.3	V884 L891 V919 H924 K925 I926	V884-V922 HydrophobicContact CG1-CG2 4.48Å; L891-V922 HydrophobicContact CD1-CG1 3.43Å; L891-V922 VanDerWaalsContact CD1-CG1 3.43Å; V919-V922 HydrophobicContact CB-CB 4.2Å; V919-V922 HydrophobicContact CB-CG2 4Å; V919-V922 HydrophobicContact CG1-CB 4.37Å; V919-V922 HydrophobicContact CG1-CG2 3.83Å; V919-V922 PolarHBondContact O-N 3.19Å; V922-H924 VanDerWaalsContact C-N 3.3Å; V922-H924 PolarHBondContact O-N 3.39Å; V922-K925 WeakPolarHBondContact O-CB 3.2Å; V922-K925 PolarHBondContact O-N 3.14Å; V922-K925 VanDerWaalsContact O-N 3.09Å; V922-I926 HydrophobicContact CG1-CD1 4.1Å; V922-I926 HydrophobicContact CG1-CG1 4.44Å; V922-I926 WeakPolarHBondContact O-CG1 3.07Å; V922-I926 PolarHBondContact O-N 2.82Å
923	R	89.7	Confident	88.3	Confident	38 Å²	38	33.6 Å²	33.6	14%	0.143	17%	0.168	C	C	.	.	H	α-helix	trans	-56.1	-42.2	175.9	-64	167.9	68.9	157.9	2.3	112.8	I914 Q915 D917 V919 L927 L967	I914-R923 PolarHBondContact O-NE 3.34Å; I914-R923 PolarHBondContact O-NH2 2.85Å; Q915-R923 VanDerWaalsContact O-CZ 3.31Å; Q915-R923 PolarHBondContact O-NH1 3.45Å; Q915-R923 PolarHBondContact O-NH2 2.9Å; D917-R923 HydrophobicContact CB-CG 3.93Å; D917-R923 VanDerWaalsContact O-CD 3.28Å; D917-R923 WeakPolarHBondContact O-CD 3.36Å; D917-R923 PolarHBondContact O-NH1 3.3Å; D917-R923 VanDerWaalsContact O-NH1 3.09Å; V919-R923 PolarHBondContact O-N 3.31Å; R923-L927 PolarHBondContact O-N 2.94Å; R923-L967 HydrophobicContact CB-CD1 4.16Å; R923-L967 HydrophobicContact CB-CD2 3.68Å
924	H	88.8	Confident	88.1	Confident	11 Å²	11	33.4 Å²	33.4	5%	0.051	17%	0.169	C	C	.	.	H	α-helix	trans	-66.2	-43.4	175.9	171.6	60.7	0	0	0	111.9	W443 P920 Y921 V922 L927 N928 R966 L967	W443-H924 AromaticContact CD1-NE2 3.57Å; W443-H924 AromaticContact CG-CE1 3.85Å; W443-H924 AromaticContact CG-NE2 3.7Å; P920-H924 PolarHBondContact O-N 2.84Å; P920-H924 VanDerWaalsContact O-N 3.14Å; Y921-H924 PolarHBondContact O-N 3.4Å; V922-H924 VanDerWaalsContact C-N 3.3Å; V922-H924 PolarHBondContact O-N 3.39Å; H924-L927 PolarHBondContact O-N 3.42Å; H924-N928 VanDerWaalsContact O-CB 3.29Å; H924-N928 WeakPolarHBondContact O-CB 3.38Å; H924-N928 PolarHBondContact O-N 3.43Å; H924-R966 HydrophobicContact CB-CG 4.07Å; H924-L967 HydrophobicContact CB-CD2 3.93Å
925	K	89	Confident	87.8	Confident	65 Å²	65	33.7 Å²	33.7	28%	0.283	17%	0.171	S	C	.	.	H	α-helix	trans	-59.9	-45.8	175.9	-71.7	-81.7	180	157.4	0	111.3	I888 Y921 V922 L927 N928 M929	I888-K925 HydrophobicContact CD1-CG 4.11Å; Y921-K925 HydrophobicContact CD1-CG 4.12Å; Y921-K925 HydrophobicContact CE1-CD 4.32Å; Y921-K925 VanDerWaalsContact CE1-CE 3.42Å; Y921-K925 HydrophobicContact CE1-CG 3.94Å; Y921-K925 WeakPolarHBondContact O-CG 3.5Å; Y921-K925 PolarHBondContact O-N 3.29Å; Y921-K925 WeakPolarHBondContact OH-CE 3.36Å; Y921-K925 PolarHBondContact OH-NZ 3.26Å; V922-K925 WeakPolarHBondContact O-CB 3.2Å; V922-K925 PolarHBondContact O-N 3.14Å; V922-K925 VanDerWaalsContact O-N 3.09Å; K925-L927 PolarHBondContact O-N 3.13Å; K925-N928 PolarHBondContact O-N 3.1Å; K925-M929 WeakPolarHBondContact O-CB 3.4Å; K925-M929 VanDerWaalsContact O-CG 3.26Å; K925-M929 WeakPolarHBondContact O-CG 3.18Å; K925-M929 PolarHBondContact O-N 3.13Å
926	I	91.2	Very high	87.6	Confident	3 Å²	3	31.1 Å²	31.1	2%	0.015	16%	0.159	C	C	.	.	H	α-helix	trans	-55.3	-50.6	177.3	-61.6	163.8	0	0	0	110.9	L891 L910 M913 I914 V922 N928 M929 L930	L891-I926 HydrophobicContact CB-CG1 4.39Å; L891-I926 HydrophobicContact CD1-CD1 3.84Å; L891-I926 HydrophobicContact CD1-CG1 3.81Å; L891-I926 HydrophobicContact CD2-CD1 4.06Å; L891-I926 HydrophobicContact CD2-CG1 4.14Å; L891-I926 HydrophobicContact CG-CG1 4.34Å; L910-I926 HydrophobicContact CD1-CD1 4.38Å; L910-I926 HydrophobicContact CD1-CG1 4.47Å; L910-I926 HydrophobicContact CD1-CG2 3.54Å; L910-I926 HydrophobicContact CD2-CG2 3.91Å; L910-I926 HydrophobicContact CG-CG2 3.62Å; M913-I926 HydrophobicContact CG-CD1 4.17Å; M913-I926 HydrophobicContact SD-CD1 3.92Å; I914-I926 HydrophobicContact CD1-CG2 3.7Å; I914-I926 HydrophobicContact CG1-CB 4.08Å; I914-I926 HydrophobicContact CG1-CD1 4.42Å; I914-I926 HydrophobicContact CG1-CG2 3.66Å; V922-I926 HydrophobicContact CG1-CD1 4.1Å; V922-I926 HydrophobicContact CG1-CG1 4.44Å; V922-I926 WeakPolarHBondContact O-CG1 3.07Å; V922-I926 PolarHBondContact O-N 2.82Å; I926-N928 PolarHBondContact O-N 3.46Å; I926-M929 PolarHBondContact O-N 3.38Å; I926-L930 VanDerWaalsContact O-CB 3.3Å; I926-L930 WeakPolarHBondContact O-CB 3.2Å; I926-L930 PolarHBondContact O-N 3.04Å
927	L	90	Very high	87.1	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-61.8	-44.2	179.2	-75.9	169.3	0	0	0	112.6	I914 R923 H924 K925 M929 L930 T931 L967 L974	I914-L927 HydrophobicContact CD1-CD2 3.87Å; I914-L927 HydrophobicContact CD1-CG 4.22Å; I914-L927 HydrophobicContact CG1-CD2 4.47Å; I914-L927 HydrophobicContact CG1-CG 4.34Å; I914-L927 HydrophobicContact CG2-CD1 4.01Å; I914-L927 HydrophobicContact CG2-CD2 4.07Å; I914-L927 HydrophobicContact CG2-CG 4Å; R923-L927 PolarHBondContact O-N 2.94Å; H924-L927 PolarHBondContact O-N 3.42Å; K925-L927 PolarHBondContact O-N 3.13Å; L927-M929 VanDerWaalsContact C-N 3.33Å; L927-M929 PolarHBondContact O-N 3.3Å; L927-L930 PolarHBondContact O-N 2.96Å; L927-T931 WeakPolarHBondContact O-CB 3.01Å; L927-T931 PolarHBondContact O-N 2.77Å; L927-T931 PolarHBondContact O-OG1 2.73Å; L927-L967 HydrophobicContact CD1-CB 4.22Å; L927-L967 HydrophobicContact CD1-CD2 4Å; L927-L967 WeakPolarHBondContact CD1-O 3.28Å; L927-L974 HydrophobicContact CD2-CD2 4.13Å
928	N	90.1	Very high	86.4	Confident	25 Å²	25	32.9 Å²	32.9	13%	0.134	16%	0.164	C	C	.	.	H	α-helix	trans	-60.1	-42.8	177.1	-172.2	-36	0	0	0	111.3	H924 K925 I926 T931 K932	H924-N928 VanDerWaalsContact O-CB 3.29Å; H924-N928 WeakPolarHBondContact O-CB 3.38Å; H924-N928 PolarHBondContact O-N 3.43Å; K925-N928 PolarHBondContact O-N 3.1Å; I926-N928 PolarHBondContact O-N 3.46Å; N928-T931 PolarHBondContact O-N 3.01Å; N928-K932 PolarHBondContact O-N 3.11Å; N928-K932 VanDerWaalsContact O-N 3.13Å; N928-K932 WeakPolarHBondContact OD1-CE 3.45Å; N928-K932 PolarHBondContact OD1-NZ 2.99Å
929	M	88.1	Confident	85.7	Confident	32 Å²	32	36.9 Å²	36.9	16%	0.158	18%	0.183	C	C	.	.	H	α-helix	trans	-72.4	-40.6	178.4	-68.2	-163.4	73.4	0	0	113.3	E892 V895 K925 I926 L927 T931 K932 N933	E892-M929 HydrophobicContact CB-CE 3.58Å; E892-M929 HydrophobicContact CB-SD 4.25Å; E892-M929 HydrophobicContact CG-CE 3.5Å; E892-M929 HydrophobicContact CG-SD 3.69Å; V895-M929 HydrophobicContact CG1-CB 4.46Å; V895-M929 HydrophobicContact CG2-CB 4.4Å; K925-M929 WeakPolarHBondContact O-CB 3.4Å; K925-M929 VanDerWaalsContact O-CG 3.26Å; K925-M929 WeakPolarHBondContact O-CG 3.18Å; K925-M929 PolarHBondContact O-N 3.13Å; I926-M929 PolarHBondContact O-N 3.38Å; L927-M929 VanDerWaalsContact C-N 3.33Å; L927-M929 PolarHBondContact O-N 3.3Å; M929-T931 PolarHBondContact O-N 3.39Å; M929-K932 PolarHBondContact O-N 3.05Å; M929-K932 VanDerWaalsContact O-N 3.14Å; M929-N933 PolarHBondContact O-N 3.44Å
930	L	89.9	Confident	85.1	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-67.6	-26.6	176	-167.5	63.2	0	0	0	111.9	V895 L907 L910 L911 I926 L927 N933 P934 P935 L974	V895-L930 HydrophobicContact CG1-CD1 4.24Å; L907-L930 HydrophobicContact CD1-CD1 4.32Å; L907-L930 HydrophobicContact CD1-CD2 4.11Å; L910-L930 HydrophobicContact CD2-CD1 4.23Å; L910-L930 HydrophobicContact CD2-CD2 4.18Å; L911-L930 HydrophobicContact CD1-CD2 4.37Å; I926-L930 VanDerWaalsContact O-CB 3.3Å; I926-L930 WeakPolarHBondContact O-CB 3.2Å; I926-L930 PolarHBondContact O-N 3.04Å; L927-L930 PolarHBondContact O-N 2.96Å; L930-N933 CarbonylContact O-C 3.54Å; L930-P934 WeakPolarHBondContact O-CA 3.49Å; L930-P935 HydrophobicContact CD1-CG 4.43Å; L930-L974 HydrophobicContact CB-CD1 4.38Å; L930-L974 HydrophobicContact CD2-CD1 4.14Å; L930-L974 HydrophobicContact CD2-CD2 3.73Å; L930-L974 HydrophobicContact CG-CD1 3.84Å; L930-L974 HydrophobicContact CG-CD2 4.32Å
931	T	88.6	Confident	84.1	Confident	27 Å²	27	49.4 Å²	49.4	17%	0.166	24%	0.24	C	C	.	.	H	α-helix	trans	-71.7	-38.8	170	-53.6	0	0	0	0	111.7	L927 N928 M929 D973	L927-T931 WeakPolarHBondContact O-CB 3.01Å; L927-T931 PolarHBondContact O-N 2.77Å; L927-T931 PolarHBondContact O-OG1 2.73Å; N928-T931 PolarHBondContact O-N 3.01Å; M929-T931 PolarHBondContact O-N 3.39Å; T931-D973 HydrophobicContact CG2-CB 3.9Å
932	K	86.9	Confident	83.3	Confident	109 Å²	109	48.3 Å²	48.3	47%	0.474	24%	0.238	S	C	.	.	H	α-helix	trans	-75.1	-37.9	178	-79.7	170.3	172.1	147.1	0	114.1	E444 N928 M929 P934	E444-K932 WeakPolarHBondContact OE1-CE 3.28Å; E444-K932 IonicContact OE1-NZ 2.72Å; E444-K932 PolarHBondContact OE1-NZ 3.34Å; N928-K932 PolarHBondContact O-N 3.11Å; N928-K932 VanDerWaalsContact O-N 3.13Å; N928-K932 WeakPolarHBondContact OD1-CE 3.45Å; N928-K932 PolarHBondContact OD1-NZ 2.99Å; M929-K932 PolarHBondContact O-N 3.05Å; M929-K932 VanDerWaalsContact O-N 3.14Å; K932-P934 VanDerWaalsContact O-CD 3.29Å; K932-P934 WeakPolarHBondContact O-CD 3.48Å
933	N	86.9	Confident	82.3	Confident	43 Å²	43	52.9 Å²	52.9	23%	0.23	27%	0.267	C	S	.	.	S	Bend	trans	-118.8	67	178.7	-83.6	-21.4	0	0	0	109.4	V895 D896 K899 M929 L930	V895-N933 HydrophobicContact CG1-CB 3.83Å; D896-N933 PolarHBondContact OD1-ND2 3.22Å; K899-N933 HydrophobicContact CD-CB 3.76Å; K899-N933 PolarHBondContact NZ-OD1 3.22Å; M929-N933 PolarHBondContact O-N 3.44Å; L930-N933 CarbonylContact O-C 3.54Å
934	P	86.1	Confident	81.5	Confident	20 Å²	20	51.1 Å²	51.1	13%	0.13	26%	0.26	C	S	.	.			trans	-69.3	143.3	-177.9	33.2	-38.3	0	0	0	110.5	L930 K932 F936 T937 T977 L978	L930-P934 WeakPolarHBondContact O-CA 3.49Å; K932-P934 VanDerWaalsContact O-CD 3.29Å; K932-P934 WeakPolarHBondContact O-CD 3.48Å; P934-F936 VanDerWaalsContact C-N 3.32Å; P934-F936 WeakPolarHBondContact CB-O 3.41Å; P934-F936 PolarHBondContact O-N 3.21Å; P934-T937 HydrophobicContact CG-CG2 4.31Å; P934-T977 HydrophobicContact CB-CG2 3.64Å; P934-T977 HydrophobicContact CG-CG2 3.65Å; P934-L978 HydrophobicContact CB-CD2 4.25Å
935	P	84.3	Confident	80.9	Confident	7 Å²	7	52.1 Å²	52.1	5%	0.045	27%	0.269	C	S	.	.	S	Bend	trans	-75.6	-21.9	-176.3	29.9	-35.9	0	0	0	113.6	L907 L930 L944	L907-P935 HydrophobicContact CD1-CG 4.41Å; L907-P935 HydrophobicContact CD2-CG 4.36Å; L930-P935 HydrophobicContact CD1-CG 4.43Å; P935-L944 HydrophobicContact CB-CD1 3.85Å; P935-L944 HydrophobicContact CG-CD1 4.34Å
936	F	82.6	Confident	80.4	Confident	7 Å²	7	52.2 Å²	52.2	3%	0.031	27%	0.272	C	S	.	.	S	Bend	trans	-145.1	166.8	167.5	60.6	-88.1	0	0	0	109.1	P934 S942 L944 L949 L978 F979	P934-F936 VanDerWaalsContact C-N 3.32Å; P934-F936 WeakPolarHBondContact CB-O 3.41Å; P934-F936 PolarHBondContact O-N 3.21Å; F936-S942 WeakPolarHBondContact CB-OG 3.34Å; F936-L944 HydrophobicContact CD1-CB 3.71Å; F936-L944 HydrophobicContact CD1-CD1 4.12Å; F936-L944 HydrophobicContact CE1-CB 3.72Å; F936-L949 HydrophobicContact CE1-CD2 4.01Å; F936-L949 HydrophobicContact CZ-CD2 4.19Å; F936-L978 HydrophobicContact CD1-CD2 4.12Å; F936-L978 HydrophobicContact CD2-CD2 4.04Å; F936-L978 HydrophobicContact CE1-CD1 4.41Å; F936-L978 HydrophobicContact CE1-CD2 3.94Å; F936-L978 HydrophobicContact CE2-CB 3.95Å; F936-L978 HydrophobicContact CE2-CD2 3.85Å; F936-L978 HydrophobicContact CE2-CG 4.34Å; F936-L978 HydrophobicContact CG-CD2 4.17Å; F936-L978 HydrophobicContact CZ-CB 4.15Å; F936-L978 HydrophobicContact CZ-CD1 4.04Å; F936-L978 HydrophobicContact CZ-CD2 3.81Å; F936-L978 HydrophobicContact CZ-CG 4.21Å; F936-L978 WeakPolarHBondContact O-CD2 3.28Å; F936-F979 AromaticContact CE2-CE1 3.92Å; F936-F979 HydrophobicContact CE2-CE1 3.92Å; F936-F979 HydrophobicContact CE2-CZ 4.3Å; F936-F979 HydrophobicContact CZ-CE1 4.05Å; F936-F979 HydrophobicContact CZ-CZ 4.01Å
937	T	78.7	Confident	79.9	Confident	56 Å²	56	56.9 Å²	56.9	34%	0.344	29%	0.294	S	S	.	.			trans	-122.5	160.8	173.1	66.7	0	0	0	0	109.6	P934 N939 M940	P934-T937 HydrophobicContact CG-CG2 4.31Å; T937-N939 PolarHBondContact O-N 3.1Å; T937-M940 PolarHBondContact O-N 3.47Å; T937-M940 WeakPolarHBondContact OG1-CG 3.41Å; T937-M940 PolarHBondContact OG1-SD 3.23Å
938	K	71.2	Confident	79.5	Confident	121 Å²	121	59.4 Å²	59.4	53%	0.526	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.3	-35.1	-178.5	175.8	179.2	166.8	173	0	114.4	L978 S982	K938-L978 WeakPolarHBondContact CA-O 3.3Å; K938-L978 PolarHBondContact N-O 3.43Å; K938-S982 WeakPolarHBondContact CE-OG 3.28Å; K938-S982 PolarHBondContact NZ-OG 3.2Å
939	N	70.7	Confident	79.2	Confident	148 Å²	148	58.4 Å²	58.4	79%	0.791	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	6	-175.3	-62.5	4.2	0	0	0	113.5	T937	T937-N939 PolarHBondContact O-N 3.1Å
940	M	74.6	Confident	79.1	Confident	87 Å²	87	56.9 Å²	56.9	43%	0.429	30%	0.302	S	S	.	.	S	Bend	trans	-116.9	102.8	-176.8	-67.4	178.3	72	0	0	111.2	T937 S942	T937-M940 PolarHBondContact O-N 3.47Å; T937-M940 WeakPolarHBondContact OG1-CG 3.41Å; T937-M940 PolarHBondContact OG1-SD 3.23Å; M940-S942 PolarHBondContact O-N 3.12Å; M940-S942 PolarHBondContact O-OG 3.14Å
941	E	63.2	Low	78.8	Confident	200 Å²	200	58.8 Å²	58.8	94%	0.935	31%	0.313	S	S	*	.			trans	-56	124.7	170.5	-171.5	164	-146.4	0	0	110.3
942	S	69.9	Low	78.6	Confident	12 Å²	12	59.2 Å²	59.2	8%	0.084	31%	0.312	C	S	.	.			trans	-150.2	139.9	-165.6	-62.9	0	0	0	0	111.2	F936 M940 L944 C945	F936-S942 WeakPolarHBondContact CB-OG 3.34Å; M940-S942 PolarHBondContact O-N 3.12Å; M940-S942 PolarHBondContact O-OG 3.14Å; S942-L944 PolarHBondContact O-N 3.34Å; S942-C945 WeakPolarHBondContact O-CB 3.34Å; S942-C945 PolarHBondContact O-N 2.92Å
943	P	67.6	Low	78.5	Confident	96 Å²	96	54.1 Å²	54.1	62%	0.623	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-3	-178.8	30	-37.1	0	0	0	114.3	N946	P943-N946 PolarHBondContact O-ND2 3.45Å
944	L	72.4	Confident	78.5	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-10.1	173.8	-66.2	176.4	0	0	0	113.4	R902 Y904 L907 P935 F936 S942 N946 L949	R902-L944 HydrophobicContact CB-CD1 4.13Å; R902-L944 VanDerWaalsContact O-CD2 3.29Å; R902-L944 WeakPolarHBondContact O-CD2 3.44Å; Y904-L944 HydrophobicContact CD2-CD2 3.98Å; Y904-L944 HydrophobicContact CG-CD2 4.4Å; L907-L944 HydrophobicContact CD2-CD1 4.32Å; L907-L944 HydrophobicContact CD2-CD2 4.2Å; P935-L944 HydrophobicContact CB-CD1 3.85Å; P935-L944 HydrophobicContact CG-CD1 4.34Å; F936-L944 HydrophobicContact CD1-CB 3.71Å; F936-L944 HydrophobicContact CD1-CD1 4.12Å; F936-L944 HydrophobicContact CE1-CB 3.72Å; S942-L944 PolarHBondContact O-N 3.34Å; L944-N946 PolarHBondContact O-N 3.29Å; L944-L949 VanDerWaalsContact O-CD2 3.23Å; L944-L949 WeakPolarHBondContact O-CD2 3.23Å
945	C	76.4	Confident	78.5	Confident	33 Å²	33	57.2 Å²	57.2	22%	0.223	30%	0.299	C	S	.	.			trans	-79.5	50.8	-173.8	-160.2	0	0	0	0	113.3	S942 C986	S942-C945 WeakPolarHBondContact O-CB 3.34Å; S942-C945 PolarHBondContact O-N 2.92Å; C945-C986 VanDerWaalsContact O-CB 3.23Å; C945-C986 WeakPolarHBondContact O-CB 3.49Å
946	N	79.5	Confident	78.5	Confident	66 Å²	66	57.2 Å²	57.2	35%	0.353	30%	0.299	S	S	.	.			trans	-88.2	145.8	-171.6	-63.6	-34.8	0	0	0	112.5	P943 L944 A948 L949 V950	P943-N946 PolarHBondContact O-ND2 3.45Å; L944-N946 PolarHBondContact O-N 3.29Å; N946-A948 PolarHBondContact O-N 3.46Å; N946-L949 WeakPolarHBondContact O-CB 3.28Å; N946-L949 PolarHBondContact O-N 2.9Å; N946-V950 PolarHBondContact O-N 3Å
947	E	79.3	Confident	78.6	Confident	101 Å²	101	56.9 Å²	56.9	47%	0.472	30%	0.298	S	S	.	.	H	α-helix	trans	-51	-43.8	173.6	-71.7	-169.6	169.1	0	0	111.9	L949 V950 D951 C986 L987 P988	E947-L949 VanDerWaalsContact C-N 3.29Å; E947-L949 PolarHBondContact O-N 2.74Å; E947-V950 PolarHBondContact O-N 3.47Å; E947-V950 VanDerWaalsContact O-N 3.15Å; E947-D951 WeakPolarHBondContact O-CB 3.31Å; E947-D951 PolarHBondContact O-N 3.44Å; E947-C986 VanDerWaalsContact CG-O 3.27Å; E947-C986 WeakPolarHBondContact CG-O 3.34Å; E947-L987 HydrophobicContact CG-CD2 4.49Å; E947-P988 WeakPolarHBondContact OE1-CD 3.2Å
948	A	82.4	Confident	78.7	Confident	56 Å²	56	54.9 Å²	54.9	46%	0.463	29%	0.285	S	S	.	.	H	α-helix	trans	-58.9	-36.1	179.4	0	0	0	0	0	113.4	N946 D951 Q952	N946-A948 PolarHBondContact O-N 3.46Å; A948-D951 WeakPolarHBondContact O-CB 3.5Å; A948-D951 PolarHBondContact O-N 2.77Å; A948-Q952 PolarHBondContact O-N 3.23Å
949	L	85.1	Confident	78.8	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-69.8	-43.2	176.5	-179.8	64.5	0	0	0	110.7	L907 L911 F936 L944 N946 E947 D951 Q952 L953	L907-L949 HydrophobicContact CD2-CD1 4.2Å; L907-L949 HydrophobicContact CD2-CD2 3.9Å; L911-L949 HydrophobicContact CD2-CD1 3.62Å; F936-L949 HydrophobicContact CE1-CD2 4.01Å; F936-L949 HydrophobicContact CZ-CD2 4.19Å; L944-L949 VanDerWaalsContact O-CD2 3.23Å; L944-L949 WeakPolarHBondContact O-CD2 3.23Å; N946-L949 WeakPolarHBondContact O-CB 3.28Å; N946-L949 PolarHBondContact O-N 2.9Å; E947-L949 VanDerWaalsContact C-N 3.29Å; E947-L949 PolarHBondContact O-N 2.74Å; L949-D951 VanDerWaalsContact C-N 3.31Å; L949-D951 PolarHBondContact O-N 3.3Å; L949-Q952 PolarHBondContact O-N 2.92Å; L949-L953 HydrophobicContact CD1-CD1 4.23Å; L949-L953 HydrophobicContact CD1-CG 4.31Å; L949-L953 HydrophobicContact CG-CD1 3.99Å; L949-L953 HydrophobicContact CG-CG 4.48Å; L949-L953 WeakPolarHBondContact O-CB 2.96Å; L949-L953 WeakPolarHBondContact O-CG 3.39Å; L949-L953 PolarHBondContact O-N 3.45Å
950	V	84.3	Confident	78.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-41	173.9	178.9	0	0	0	0	110.7	N946 E947 W954 Y975 F979 P984 L987	N946-V950 PolarHBondContact O-N 3Å; E947-V950 PolarHBondContact O-N 3.47Å; E947-V950 VanDerWaalsContact O-N 3.15Å; V950-W954 WeakPolarHBondContact O-CB 3.5Å; V950-W954 PolarHBondContact O-N 3.37Å; V950-Y975 HydrophobicContact CG1-CE2 4.27Å; V950-F979 HydrophobicContact CG2-CE1 4.03Å; V950-F979 HydrophobicContact CG2-CE2 4.07Å; V950-F979 HydrophobicContact CG2-CZ 3.61Å; V950-P984 HydrophobicContact CG1-CG 4.03Å; V950-P984 HydrophobicContact CG2-CB 4.14Å; V950-P984 HydrophobicContact CG2-CG 4.27Å; V950-L987 HydrophobicContact CB-CD2 4.4Å; V950-L987 HydrophobicContact CG1-CD1 4.02Å; V950-L987 HydrophobicContact CG1-CD2 4.08Å; V950-L987 HydrophobicContact CG1-CG 4.27Å
951	D	83.9	Confident	78.8	Confident	42 Å²	42	41.3 Å²	41.3	23%	0.225	23%	0.228	C	C	.	.	H	α-helix	trans	-57.5	-46.5	173.4	-117.7	78.6	0	0	0	112	R101 E947 A948 L949 K955	R101-D951 IonicContact CZ-OD1 3.9Å; R101-D951 IonicContact NH1-OD1 3.23Å; R101-D951 PolarHBondContact NH1-OD1 3.34Å; R101-D951 IonicContact NH2-OD1 3.48Å; R101-D951 PolarHBondContact NH2-OD1 3Å; R101-D951 IonicContact NH2-OD2 3.86Å; E947-D951 WeakPolarHBondContact O-CB 3.31Å; E947-D951 PolarHBondContact O-N 3.44Å; A948-D951 WeakPolarHBondContact O-CB 3.5Å; A948-D951 PolarHBondContact O-N 2.77Å; L949-D951 VanDerWaalsContact C-N 3.31Å; L949-D951 PolarHBondContact O-N 3.3Å; D951-K955 WeakPolarHBondContact O-CB 3.37Å; D951-K955 VanDerWaalsContact O-CD 3.28Å; D951-K955 WeakPolarHBondContact O-CD 3.38Å; D951-K955 WeakPolarHBondContact O-CG 3.31Å; D951-K955 PolarHBondContact O-N 2.83Å; D951-K955 WeakPolarHBondContact OD2-CE 3.21Å; D951-K955 IonicContact OD2-NZ 3.31Å; D951-K955 PolarHBondContact OD2-NZ 3.3Å
952	Q	84.9	Confident	79.3	Confident	35 Å²	35	32.4 Å²	32.4	16%	0.164	19%	0.188	C	C	.	.	H	α-helix	trans	-70.7	-46.6	-179.8	-169.4	175.9	15.7	0	0	112.1	L911 N912 A948 L949 W954 K955 L956	L911-Q952 HydrophobicContact CD2-CB 4.38Å; L911-Q952 HydrophobicContact CD2-CG 4.07Å; N912-Q952 PolarHBondContact OD1-NE2 2.88Å; N912-Q952 VanDerWaalsContact OD1-NE2 3.13Å; A948-Q952 PolarHBondContact O-N 3.23Å; L949-Q952 PolarHBondContact O-N 2.92Å; Q952-W954 VanDerWaalsContact C-N 3.3Å; Q952-W954 PolarHBondContact O-N 3.35Å; Q952-K955 WeakPolarHBondContact O-CB 3.37Å; Q952-K955 PolarHBondContact O-N 2.84Å; Q952-K955 VanDerWaalsContact O-N 3.13Å; Q952-L956 HydrophobicContact CG-CD1 4.44Å; Q952-L956 WeakPolarHBondContact O-CG 3.44Å; Q952-L956 PolarHBondContact O-N 3.13Å
953	L	85.8	Confident	79.5	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-59	-42.4	176.1	-70.9	170.6	0	0	0	111.2	L911 L949 K955 L956 M957 L974 Y975 L978 F979	L911-L953 HydrophobicContact CD2-CD2 3.95Å; L911-L953 HydrophobicContact CD2-CG 4.22Å; L949-L953 HydrophobicContact CD1-CD1 4.23Å; L949-L953 HydrophobicContact CD1-CG 4.31Å; L949-L953 HydrophobicContact CG-CD1 3.99Å; L949-L953 HydrophobicContact CG-CG 4.48Å; L949-L953 WeakPolarHBondContact O-CB 2.96Å; L949-L953 WeakPolarHBondContact O-CG 3.39Å; L949-L953 PolarHBondContact O-N 3.45Å; L953-K955 PolarHBondContact O-N 3.05Å; L953-L956 HydrophobicContact CD2-CD1 4.42Å; L953-L956 WeakPolarHBondContact O-CB 3.29Å; L953-L956 PolarHBondContact O-N 2.91Å; L953-M957 VanDerWaalsContact O-CG 3.28Å; L953-M957 WeakPolarHBondContact O-CG 3.39Å; L953-M957 PolarHBondContact O-N 2.88Å; L953-L974 HydrophobicContact CD2-CD2 3.71Å; L953-L974 HydrophobicContact CD2-CG 4.4Å; L953-Y975 HydrophobicContact CB-CD2 4.29Å; L953-L978 HydrophobicContact CD1-CD1 3.88Å; L953-F979 HydrophobicContact CD1-CE2 3.93Å
954	W	85.8	Confident	80.1	Confident	17 Å²	17	30.2 Å²	30.2	6%	0.064	17%	0.168	C	C	.	.	H	α-helix	trans	-64.5	-37.5	175.5	-167.7	-101.7	0	0	0	112.5	C94 R101 F106 V950 Q952 M957 N958 Y975	C94-W954 HydrophobicContact CB-CZ2 4.16Å; R101-W954 HydrophobicContact CB-CD2 4.18Å; R101-W954 HydrophobicContact CB-CE3 4.06Å; R101-W954 HydrophobicContact CB-CH2 4.31Å; R101-W954 HydrophobicContact CB-CZ2 4.43Å; R101-W954 HydrophobicContact CB-CZ3 4.13Å; R101-W954 HydrophobicContact CG-CD2 3.97Å; R101-W954 HydrophobicContact CG-CE3 4.37Å; R101-W954 HydrophobicContact CG-CG 4.28Å; R101-W954 HydrophobicContact CG-CZ2 4.3Å; F106-W954 HydrophobicContact CB-CH2 3.76Å; F106-W954 HydrophobicContact CB-CZ3 4.05Å; F106-W954 HydrophobicContact CD2-CH2 4.29Å; F106-W954 HydrophobicContact CG-CH2 4.4Å; V950-W954 WeakPolarHBondContact O-CB 3.5Å; V950-W954 PolarHBondContact O-N 3.37Å; Q952-W954 VanDerWaalsContact C-N 3.3Å; Q952-W954 PolarHBondContact O-N 3.35Å; W954-M957 HydrophobicContact CE3-CE 4.39Å; W954-M957 HydrophobicContact CE3-SD 4.48Å; W954-M957 HydrophobicContact CZ3-CE 4.41Å; W954-M957 PolarHBondContact O-N 3.46Å; W954-N958 VanDerWaalsContact CE2-ND2 3.33Å; W954-N958 PolarHBondContact NE1-ND2 2.88Å; W954-N958 VanDerWaalsContact O-CB 3.32Å; W954-N958 WeakPolarHBondContact O-CB 3.14Å; W954-N958 PolarHBondContact O-N 2.97Å; W954-N958 PolarHBondContact O-ND2 2.74Å; W954-Y975 HydrophobicContact CE3-CE2 4.32Å
955	K	85.3	Confident	80.5	Confident	112 Å²	112	31.3 Å²	31.3	49%	0.487	17%	0.172	S	C	.	.	H	α-helix	trans	-66.6	-40.5	173	-72.8	160.3	-165	162.7	0	112.2	D951 Q952 L953 N958 S959 G960	D951-K955 WeakPolarHBondContact O-CB 3.37Å; D951-K955 VanDerWaalsContact O-CD 3.28Å; D951-K955 WeakPolarHBondContact O-CD 3.38Å; D951-K955 WeakPolarHBondContact O-CG 3.31Å; D951-K955 PolarHBondContact O-N 2.83Å; D951-K955 WeakPolarHBondContact OD2-CE 3.21Å; D951-K955 IonicContact OD2-NZ 3.31Å; D951-K955 PolarHBondContact OD2-NZ 3.3Å; Q952-K955 WeakPolarHBondContact O-CB 3.37Å; Q952-K955 PolarHBondContact O-N 2.84Å; Q952-K955 VanDerWaalsContact O-N 3.13Å; L953-K955 PolarHBondContact O-N 3.05Å; K955-N958 PolarHBondContact O-N 2.8Å; K955-S959 PolarHBondContact O-N 2.73Å; K955-S959 PolarHBondContact O-OG 3.06Å; K955-G960 PolarHBondContact O-N 3Å
956	L	84.5	Confident	80.9	Confident	7 Å²	7	30 Å²	30	4%	0.037	16%	0.163	C	C	.	.	I	π-helix	trans	-60.6	-47.6	173.7	-69.2	171.8	0	0	0	111	L911 Q915 Q952 L953 N958 T961	L911-L956 HydrophobicContact CD2-CD1 4.19Å; L911-L956 HydrophobicContact CG-CD1 4.24Å; Q915-L956 HydrophobicContact CB-CD2 4.19Å; Q952-L956 HydrophobicContact CG-CD1 4.44Å; Q952-L956 WeakPolarHBondContact O-CG 3.44Å; Q952-L956 PolarHBondContact O-N 3.13Å; L953-L956 HydrophobicContact CD2-CD1 4.42Å; L953-L956 WeakPolarHBondContact O-CB 3.29Å; L953-L956 PolarHBondContact O-N 2.91Å; L956-N958 PolarHBondContact O-N 2.81Å; L956-T961 WeakPolarHBondContact O-CB 3.25Å; L956-T961 WeakPolarHBondContact O-CG2 3.39Å; L956-T961 PolarHBondContact O-N 2.72Å; L956-T961 PolarHBondContact O-OG1 2.88Å
957	M	84.6	Confident	81.3	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.147	C	C	.	.	I	π-helix	trans	-65.6	-33.1	177.5	-68.8	163	70.2	0	0	113.7	L103 F106 L953 W954 R968 A971 V972 Y975	L103-M957 HydrophobicContact CD1-CE 4.4Å; F106-M957 HydrophobicContact CD1-CE 3.89Å; F106-M957 HydrophobicContact CE1-CE 4.19Å; F106-M957 HydrophobicContact CE2-CB 4.33Å; F106-M957 HydrophobicContact CG-CE 4.18Å; F106-M957 HydrophobicContact CZ-CB 4.14Å; F106-M957 VanDerWaalsContact CZ-O 3.26Å; F106-M957 WeakPolarHBondContact CZ-O 3.34Å; L953-M957 VanDerWaalsContact O-CG 3.28Å; L953-M957 WeakPolarHBondContact O-CG 3.39Å; L953-M957 PolarHBondContact O-N 2.88Å; W954-M957 HydrophobicContact CE3-CE 4.39Å; W954-M957 HydrophobicContact CE3-SD 4.48Å; W954-M957 HydrophobicContact CZ3-CE 4.41Å; W954-M957 PolarHBondContact O-N 3.46Å; M957-R968 VanDerWaalsContact O-CZ 3.25Å; M957-R968 PolarHBondContact O-NE 2.67Å; M957-R968 PolarHBondContact O-NH2 2.82Å; M957-A971 HydrophobicContact CG-CB 3.9Å; M957-V972 HydrophobicContact CE-CB 4.43Å; M957-V972 HydrophobicContact CE-CG1 4.47Å; M957-V972 HydrophobicContact CE-CG2 3.92Å; M957-V972 HydrophobicContact CG-CG2 4.2Å; M957-Y975 HydrophobicContact CE-CD1 4.45Å; M957-Y975 HydrophobicContact CE-CD2 4.38Å; M957-Y975 HydrophobicContact CE-CG 4.07Å; M957-Y975 HydrophobicContact SD-CD2 3.6Å; M957-Y975 VanDerWaalsContact SD-CD2 3.6Å; M957-Y975 HydrophobicContact SD-CE2 4.35Å; M957-Y975 HydrophobicContact SD-CG 3.76Å
958	N	80.6	Confident	81.6	Confident	13 Å²	13	22.5 Å²	22.5	7%	0.07	13%	0.126	C	C	.	.	I	π-helix	trans	-86.7	-59.1	-176.5	-83.2	-87.3	0	0	0	113.2	C94 W954 K955 L956 R968	C94-N958 PolarHBondContact N-OD1 2.82Å; W954-N958 VanDerWaalsContact CE2-ND2 3.33Å; W954-N958 PolarHBondContact NE1-ND2 2.88Å; W954-N958 VanDerWaalsContact O-CB 3.32Å; W954-N958 WeakPolarHBondContact O-CB 3.14Å; W954-N958 PolarHBondContact O-N 2.97Å; W954-N958 PolarHBondContact O-ND2 2.74Å; K955-N958 PolarHBondContact O-N 2.8Å; L956-N958 PolarHBondContact O-N 2.81Å; N958-R968 PolarHBondContact O-NH2 2.83Å
959	S	73.9	Confident	81.7	Confident	51 Å²	51	19.9 Å²	19.9	36%	0.357	10%	0.104	S	C	.	.	I	π-helix	trans	-119.9	-39.4	-169.4	55.7	0	0	0	0	113.8	L91 K955 T961 S962	L91-S959 WeakPolarHBondContact O-CA 3.25Å; K955-S959 PolarHBondContact O-N 2.73Å; K955-S959 PolarHBondContact O-OG 3.06Å; S959-T961 VanDerWaalsContact C-N 3.28Å; S959-T961 PolarHBondContact O-N 2.87Å; S959-S962 PolarHBondContact O-N 3.37Å; S959-S962 PolarHBondContact O-OG 3.49Å
960	G	69.8	Low	81.8	Confident	17 Å²	17	20 Å²	20	18%	0.175	11%	0.106	C	C	.	.	I	π-helix	trans	-61.7	-29.4	-171.4	0	0	0	0	0	115.4	Q915 K955	Q915-G960 PolarHBondContact NE2-O 3.01Å; Q915-G960 VanDerWaalsContact NE2-O 3.09Å; Q915-G960 PolarHBondContact OE1-O 2.88Å; K955-G960 PolarHBondContact O-N 3Å
961	T	76.9	Confident	82	Confident	3 Å²	3	20 Å²	20	2%	0.018	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	15.2	-177.3	61.5	0	0	0	0	114.4	L956 S959 H963 D964 L967 R968	L956-T961 WeakPolarHBondContact O-CB 3.25Å; L956-T961 WeakPolarHBondContact O-CG2 3.39Å; L956-T961 PolarHBondContact O-N 2.72Å; L956-T961 PolarHBondContact O-OG1 2.88Å; S959-T961 VanDerWaalsContact C-N 3.28Å; S959-T961 PolarHBondContact O-N 2.87Å; T961-H963 PolarHBondContact O-N 3.11Å; T961-D964 PolarHBondContact O-N 2.65Å; T961-D964 VanDerWaalsContact O-N 3.15Å; T961-D964 VanDerWaalsContact O-O 3.1Å; T961-L967 HydrophobicContact CG2-CB 3.85Å; T961-R968 WeakPolarHBondContact OG1-CA 3.22Å; T961-R968 WeakPolarHBondContact OG1-CB 3.27Å
962	S	73	Confident	82.1	Confident	14 Å²	14	18.2 Å²	18.2	10%	0.098	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-18.5	-178.1	52.9	0	0	0	0	115.4	S959	S959-S962 PolarHBondContact O-N 3.37Å; S959-S962 PolarHBondContact O-OG 3.49Å
963	H	73.4	Confident	82.2	Confident	48 Å²	48	17.4 Å²	17.4	22%	0.222	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-21.1	-179.8	-51.5	-78.2	0	0	0	115.3	K156 T961	K156-H963 HydrophobicContact CB-CB 3.92Å; K156-H963 WeakPolarHBondContact CD-NE2 3.33Å; K156-H963 WeakPolarHBondContact O-CB 3.5Å; T961-H963 PolarHBondContact O-N 3.11Å
964	D	80.5	Confident	82.3	Confident	14 Å²	14	17.4 Å²	17.4	8%	0.075	9%	0.093	C	C	.	.			trans	-136.2	112	177.4	-179.9	-11.8	0	0	0	109.6	Y313 T961 R966 L967 R968	Y313-D964 WeakPolarHBondContact CE2-OD2 3.28Å; Y313-D964 PolarHBondContact OH-OD1 3.1Å; T961-D964 PolarHBondContact O-N 2.65Å; T961-D964 VanDerWaalsContact O-N 3.15Å; T961-D964 VanDerWaalsContact O-O 3.1Å; D964-R966 VanDerWaalsContact C-N 3.28Å; D964-R966 PolarHBondContact O-N 3.29Å; D964-R966 VanDerWaalsContact OD1-CG 3.27Å; D964-R966 WeakPolarHBondContact OD1-CG 3.46Å; D964-R966 PolarHBondContact OD1-N 2.99Å; D964-R966 IonicContact OD1-NE 2.85Å; D964-R966 IonicContact OD2-CZ 2.69Å; D964-R966 IonicContact OD2-NE 3.09Å; D964-R966 PolarHBondContact OD2-NE 3.04Å; D964-R966 IonicContact OD2-NH2 2.65Å; D964-L967 HydrophobicContact CB-CB 4.36Å; D964-L967 HydrophobicContact CB-CD1 4.03Å; D964-L967 HydrophobicContact CB-CG 3.97Å; D964-L967 PolarHBondContact O-N 2.67Å; D964-R968 PolarHBondContact O-N 2.68Å; D964-R968 VanDerWaalsContact O-N 3.14Å
965	W	79.9	Confident	82.3	Confident	23 Å²	23	16.6 Å²	16.6	9%	0.087	9%	0.09	C	C	.	.	H	α-helix	trans	-64.7	-26.1	-178.8	60.6	70.9	0	0	0	114.1	Y182 N184 F188 H439 R968 C969	Y182-W965 WeakPolarHBondContact O-CH2 3.5Å; Y182-W965 WeakPolarHBondContact O-CZ2 3.48Å; N184-W965 HydrophobicContact CB-CH2 3.94Å; N184-W965 HydrophobicContact CB-CZ3 4.26Å; N184-W965 WeakPolarHBondContact O-CZ3 3.41Å; F188-W965 HydrophobicContact CE2-CE3 4.5Å; F188-W965 HydrophobicContact CE2-CZ3 4.35Å; H439-W965 HydrophobicContact CB-CB 4.06Å; H439-W965 HydrophobicContact CB-CD2 4.38Å; H439-W965 HydrophobicContact CB-CE3 4.41Å; H439-W965 HydrophobicContact CB-CG 4.28Å; H439-W965 AromaticContact CD2-CD2 3.74Å; H439-W965 AromaticContact CD2-CE3 3.37Å; H439-W965 AromaticContact CD2-CH2 3.67Å; H439-W965 AromaticContact CD2-CZ3 3.34Å; H439-W965 WeakPolarHBondContact CD2-CZ3 3.38Å; H439-W965 AromaticContact CG-CE3 3.95Å; H439-W965 AromaticContact NE2-CH2 3.87Å; H439-W965 AromaticContact NE2-CZ3 3.55Å; W965-R968 WeakPolarHBondContact O-CB 3.46Å; W965-R968 PolarHBondContact O-N 2.83Å; W965-C969 WeakPolarHBondContact O-CB 3.43Å; W965-C969 PolarHBondContact O-N 2.98Å; W965-C969 PolarHBondContact O-SG 3.47Å
966	R	85.7	Confident	82.3	Confident	7 Å²	7	14.4 Å²	14.4	3%	0.026	8%	0.08	C	C	.	.	H	α-helix	trans	-76.4	-27.9	179.2	88.5	-163.8	156.5	158	-5.4	111.7	Y313 P920 H924 D964 G970	Y313-R966 VanDerWaalsContact CE2-CZ 3.41Å; Y313-R966 PolarHBondContact O-NH1 3.14Å; Y313-R966 WeakPolarHBondContact OH-CD 3.47Å; Y313-R966 PolarHBondContact OH-NE 3.1Å; P920-R966 VanDerWaalsContact CB-NH2 3.31Å; P920-R966 PolarHBondContact O-NH2 3.47Å; H924-R966 HydrophobicContact CB-CG 4.07Å; D964-R966 VanDerWaalsContact C-N 3.28Å; D964-R966 PolarHBondContact O-N 3.29Å; D964-R966 VanDerWaalsContact OD1-CG 3.27Å; D964-R966 WeakPolarHBondContact OD1-CG 3.46Å; D964-R966 PolarHBondContact OD1-N 2.99Å; D964-R966 IonicContact OD1-NE 2.85Å; D964-R966 IonicContact OD2-CZ 2.69Å; D964-R966 IonicContact OD2-NE 3.09Å; D964-R966 PolarHBondContact OD2-NE 3.04Å; D964-R966 IonicContact OD2-NH2 2.65Å; R966-G970 PolarHBondContact O-N 2.89Å
967	L	86.9	Confident	82.3	Confident	6 Å²	6	16 Å²	16	3%	0.031	9%	0.09	C	C	.	.	H	α-helix	trans	-70.7	-39.8	169.5	-59.7	-175.5	0	0	0	109.7	R923 H924 L927 T961 D964 G970 A971	R923-L967 HydrophobicContact CB-CD1 4.16Å; R923-L967 HydrophobicContact CB-CD2 3.68Å; H924-L967 HydrophobicContact CB-CD2 3.93Å; L927-L967 HydrophobicContact CD1-CB 4.22Å; L927-L967 HydrophobicContact CD1-CD2 4Å; L927-L967 WeakPolarHBondContact CD1-O 3.28Å; T961-L967 HydrophobicContact CG2-CB 3.85Å; D964-L967 HydrophobicContact CB-CB 4.36Å; D964-L967 HydrophobicContact CB-CD1 4.03Å; D964-L967 HydrophobicContact CB-CG 3.97Å; D964-L967 PolarHBondContact O-N 2.67Å; L967-G970 PolarHBondContact O-N 2.87Å; L967-A971 WeakPolarHBondContact O-CB 3.38Å; L967-A971 PolarHBondContact O-N 2.69Å
968	R	86.9	Confident	82.3	Confident	3 Å²	3	16.2 Å²	16.2	1%	0.011	9%	0.092	C	C	.	.	H	α-helix	trans	-61	-53.2	174	-161.5	178	-162.2	146.3	11.6	111.9	T90 M957 N958 T961 D964 W965 G970 A971 V972	T90-R968 PolarHBondContact O-NH1 2.9Å; M957-R968 VanDerWaalsContact O-CZ 3.25Å; M957-R968 PolarHBondContact O-NE 2.67Å; M957-R968 PolarHBondContact O-NH2 2.82Å; N958-R968 PolarHBondContact O-NH2 2.83Å; T961-R968 WeakPolarHBondContact OG1-CA 3.22Å; T961-R968 WeakPolarHBondContact OG1-CB 3.27Å; D964-R968 PolarHBondContact O-N 2.68Å; D964-R968 VanDerWaalsContact O-N 3.14Å; W965-R968 WeakPolarHBondContact O-CB 3.46Å; W965-R968 PolarHBondContact O-N 2.83Å; R968-G970 PolarHBondContact O-N 2.88Å; R968-A971 PolarHBondContact O-N 3.22Å; R968-V972 VanDerWaalsContact O-CG2 3.25Å; R968-V972 WeakPolarHBondContact O-CG2 3.32Å; R968-V972 PolarHBondContact O-N 2.99Å
969	C	85	Confident	82.3	Confident	1 Å²	1	16 Å²	16	1%	0.007	9%	0.09	C	C	.	.	H	α-helix	trans	-61	-42.3	176.6	-66.5	0	0	0	0	111.8	F433 H439 L441 W965 A971 V972 D973	F433-C969 HydrophobicContact CE1-CB 4.25Å; F433-C969 HydrophobicContact CZ-CB 3.95Å; H439-C969 PolarHBondContact O-SG 3.1Å; L441-C969 WeakPolarHBondContact O-CB 3.49Å; L441-C969 PolarHBondContact O-SG 2.87Å; W965-C969 WeakPolarHBondContact O-CB 3.43Å; W965-C969 PolarHBondContact O-N 2.98Å; W965-C969 PolarHBondContact O-SG 3.47Å; C969-A971 VanDerWaalsContact C-N 3.32Å; C969-A971 PolarHBondContact O-N 3.34Å; C969-V972 CarbonylContact O-C 3.39Å; C969-V972 WeakPolarHBondContact O-CA 3.39Å; C969-V972 WeakPolarHBondContact O-CB 3.5Å; C969-V972 PolarHBondContact O-N 3.21Å; C969-D973 PolarHBondContact O-N 3.05Å
970	G	86.4	Confident	82.5	Confident	5 Å²	5	14 Å²	14	5%	0.052	8%	0.078	C	C	.	.	H	α-helix	trans	-62.7	-33.8	175.6	0	0	0	0	0	113.9	R966 L967 R968 L974	R966-G970 PolarHBondContact O-N 2.89Å; L967-G970 PolarHBondContact O-N 2.87Å; R968-G970 PolarHBondContact O-N 2.88Å; G970-L974 WeakPolarHBondContact O-CB 3.47Å; G970-L974 PolarHBondContact O-N 2.85Å
971	A	87.4	Confident	82.8	Confident	1 Å²	1	16.2 Å²	16.2	1%	0.008	9%	0.085	C	C	.	.	H	α-helix	trans	-71.2	-32.2	172	0	0	0	0	0	112.5	M957 L967 R968 C969 Y975	M957-A971 HydrophobicContact CG-CB 3.9Å; L967-A971 WeakPolarHBondContact O-CB 3.38Å; L967-A971 PolarHBondContact O-N 2.69Å; R968-A971 PolarHBondContact O-N 3.22Å; C969-A971 VanDerWaalsContact C-N 3.32Å; C969-A971 PolarHBondContact O-N 3.34Å; A971-Y975 PolarHBondContact O-N 3.07Å
972	V	87.1	Confident	82.5	Confident	3 Å²	3	18.1 Å²	18.1	2%	0.018	10%	0.098	C	C	.	.	H	α-helix	trans	-71.2	-41.8	173.8	-179.6	0	0	0	0	111.3	L103 F106 F433 M957 R968 C969 Y975 F976	L103-V972 HydrophobicContact CD1-CG1 3.51Å; F106-V972 HydrophobicContact CD1-CG2 4.25Å; F106-V972 HydrophobicContact CE1-CG2 3.65Å; F433-V972 HydrophobicContact CD1-CG1 4.33Å; F433-V972 HydrophobicContact CE1-CB 3.75Å; F433-V972 HydrophobicContact CE1-CG1 3.52Å; F433-V972 HydrophobicContact CE1-CG2 4.32Å; F433-V972 HydrophobicContact CZ-CB 3.96Å; F433-V972 HydrophobicContact CZ-CG1 3.9Å; M957-V972 HydrophobicContact CE-CB 4.43Å; M957-V972 HydrophobicContact CE-CG1 4.47Å; M957-V972 HydrophobicContact CE-CG2 3.92Å; M957-V972 HydrophobicContact CG-CG2 4.2Å; R968-V972 VanDerWaalsContact O-CG2 3.25Å; R968-V972 WeakPolarHBondContact O-CG2 3.32Å; R968-V972 PolarHBondContact O-N 2.99Å; C969-V972 CarbonylContact O-C 3.39Å; C969-V972 WeakPolarHBondContact O-CA 3.39Å; C969-V972 WeakPolarHBondContact O-CB 3.5Å; C969-V972 PolarHBondContact O-N 3.21Å; V972-Y975 WeakPolarHBondContact O-CB 3.29Å; V972-Y975 PolarHBondContact O-N 3.42Å; V972-F976 PolarHBondContact O-N 3.47Å
973	D	86.4	Confident	82.5	Confident	18 Å²	18	20.4 Å²	20.4	10%	0.096	11%	0.105	C	C	.	.	H	α-helix	trans	-58.9	-46.7	173.6	-71.8	-31	0	0	0	111	H432 F433 S442 T931 C969 Y975 F976 T977	H432-D973 IonicContact CE1-OD1 2.81Å; H432-D973 PolarHBondContact CE1-OD1 2.98Å; H432-D973 IonicContact NE2-OD1 3.7Å; H432-D973 PolarHBondContact NE2-OD1 2.92Å; F433-D973 WeakPolarHBondContact CE2-OD1 3.44Å; F433-D973 WeakPolarHBondContact CZ-OD1 3.24Å; S442-D973 WeakPolarHBondContact CB-OD2 3.49Å; S442-D973 PolarHBondContact OG-OD2 3Å; T931-D973 HydrophobicContact CG2-CB 3.9Å; C969-D973 PolarHBondContact O-N 3.05Å; D973-Y975 VanDerWaalsContact C-N 3.35Å; D973-Y975 PolarHBondContact O-N 2.97Å; D973-F976 WeakPolarHBondContact O-CB 3.45Å; D973-F976 PolarHBondContact O-N 3.07Å; D973-T977 PolarHBondContact O-N 2.6Å; D973-T977 PolarHBondContact O-OG1 2.68Å
974	L	87.1	Confident	82.7	Confident	2 Å²	2	18.3 Å²	18.3	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-59.2	-43.9	174.2	-179.1	61	0	0	0	112	L927 L930 L953 G970 F976 T977 L978	L927-L974 HydrophobicContact CD2-CD2 4.13Å; L930-L974 HydrophobicContact CB-CD1 4.38Å; L930-L974 HydrophobicContact CD2-CD1 4.14Å; L930-L974 HydrophobicContact CD2-CD2 3.73Å; L930-L974 HydrophobicContact CG-CD1 3.84Å; L930-L974 HydrophobicContact CG-CD2 4.32Å; L953-L974 HydrophobicContact CD2-CD2 3.71Å; L953-L974 HydrophobicContact CD2-CG 4.4Å; G970-L974 WeakPolarHBondContact O-CB 3.47Å; G970-L974 PolarHBondContact O-N 2.85Å; L974-F976 VanDerWaalsContact C-N 3.32Å; L974-F976 PolarHBondContact O-N 2.93Å; L974-T977 PolarHBondContact O-N 3.12Å; L974-L978 HydrophobicContact CD1-CD1 3.93Å; L974-L978 HydrophobicContact CD1-CG 4.07Å; L974-L978 HydrophobicContact CG-CD1 4.02Å; L974-L978 HydrophobicContact CG-CG 4.48Å; L974-L978 WeakPolarHBondContact O-CB 3.12Å; L974-L978 VanDerWaalsContact O-CG 3.28Å; L974-L978 WeakPolarHBondContact O-CG 3.5Å; L974-L978 PolarHBondContact O-N 3.01Å
975	Y	86.7	Confident	82.1	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.5	-39.1	176.5	-162.8	-86.1	0	0	0	112.2	R101 L103 V950 L953 W954 M957 A971 V972 D973 F979 P984	R101-Y975 PolarHBondContact O-OH 3.35Å; L103-Y975 HydrophobicContact CB-CD1 4.17Å; L103-Y975 HydrophobicContact CB-CE1 4.27Å; L103-Y975 HydrophobicContact CD2-CD1 4.48Å; V950-Y975 HydrophobicContact CG1-CE2 4.27Å; L953-Y975 HydrophobicContact CB-CD2 4.29Å; W954-Y975 HydrophobicContact CE3-CE2 4.32Å; M957-Y975 HydrophobicContact CE-CD1 4.45Å; M957-Y975 HydrophobicContact CE-CD2 4.38Å; M957-Y975 HydrophobicContact CE-CG 4.07Å; M957-Y975 HydrophobicContact SD-CD2 3.6Å; M957-Y975 VanDerWaalsContact SD-CD2 3.6Å; M957-Y975 HydrophobicContact SD-CE2 4.35Å; M957-Y975 HydrophobicContact SD-CG 3.76Å; A971-Y975 PolarHBondContact O-N 3.07Å; V972-Y975 WeakPolarHBondContact O-CB 3.29Å; V972-Y975 PolarHBondContact O-N 3.42Å; D973-Y975 VanDerWaalsContact C-N 3.35Å; D973-Y975 PolarHBondContact O-N 2.97Å; Y975-F979 HydrophobicContact CD1-CD2 4.21Å; Y975-F979 AromaticContact CD2-CD2 3.82Å; Y975-F979 HydrophobicContact CD2-CD2 3.82Å; Y975-F979 HydrophobicContact CD2-CE2 4.12Å; Y975-F979 HydrophobicContact CE1-CB 4.36Å; Y975-F979 HydrophobicContact CE1-CD2 4.24Å; Y975-F979 AromaticContact CE2-CD2 3.84Å; Y975-F979 HydrophobicContact CE2-CD2 3.84Å; Y975-F979 HydrophobicContact CE2-CE2 4.16Å; Y975-F979 HydrophobicContact CG-CD2 4.03Å; Y975-F979 PolarHBondContact O-N 3.02Å; Y975-P984 VanDerWaalsContact OH-CG 3.3Å; Y975-P984 WeakPolarHBondContact OH-CG 3.15Å
976	F	85.7	Confident	81.5	Confident	66 Å²	66	23.7 Å²	23.7	29%	0.289	14%	0.137	S	C	.	.	H	α-helix	trans	-63	-46.2	173.9	177.1	-99.7	0	0	0	111.8	L103 H432 V972 D973 L974 L978 G980 L981	L103-F976 HydrophobicContact CD2-CB 3.73Å; L103-F976 HydrophobicContact CD2-CD2 3.86Å; L103-F976 HydrophobicContact CD2-CG 4.3Å; H432-F976 HydrophobicContact CB-CD2 4.07Å; H432-F976 AromaticContact CE1-CD1 3.78Å; H432-F976 AromaticContact CE1-CG 3.69Å; H432-F976 AromaticContact CG-CD2 3.91Å; H432-F976 AromaticContact ND1-CD1 3.81Å; H432-F976 AromaticContact ND1-CD2 3.51Å; H432-F976 AromaticContact ND1-CE2 3.85Å; H432-F976 AromaticContact ND1-CG 3.48Å; H432-F976 WeakPolarHBondContact ND1-CG 3.28Å; V972-F976 PolarHBondContact O-N 3.47Å; D973-F976 WeakPolarHBondContact O-CB 3.45Å; D973-F976 PolarHBondContact O-N 3.07Å; L974-F976 VanDerWaalsContact C-N 3.32Å; L974-F976 PolarHBondContact O-N 2.93Å; F976-L978 PolarHBondContact O-N 3.49Å; F976-G980 WeakPolarHBondContact O-CA 2.87Å; F976-G980 PolarHBondContact O-N 3.48Å; F976-L981 HydrophobicContact CD2-CD2 3.9Å; F976-L981 HydrophobicContact CD2-CG 4.49Å; F976-L981 HydrophobicContact CE2-CD2 3.84Å; F976-L981 HydrophobicContact CE2-CG 4.12Å
977	T	84.7	Confident	80.7	Confident	40 Å²	40	24.1 Å²	24.1	25%	0.245	14%	0.14	C	C	.	.	H	α-helix	trans	-65.1	-36.3	179	-59.3	0	0	0	0	113	P934 D973 L974	P934-T977 HydrophobicContact CB-CG2 3.64Å; P934-T977 HydrophobicContact CG-CG2 3.65Å; D973-T977 PolarHBondContact O-N 2.6Å; D973-T977 PolarHBondContact O-OG1 2.68Å; L974-T977 PolarHBondContact O-N 3.12Å
978	L	83.5	Confident	79.6	Confident	5 Å²	5	28.1 Å²	28.1	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-80.9	-41.9	-178.9	-64	179.1	0	0	0	113.5	P934 F936 K938 L953 L974 F976	P934-L978 HydrophobicContact CB-CD2 4.25Å; F936-L978 HydrophobicContact CD1-CD2 4.12Å; F936-L978 HydrophobicContact CD2-CD2 4.04Å; F936-L978 HydrophobicContact CE1-CD1 4.41Å; F936-L978 HydrophobicContact CE1-CD2 3.94Å; F936-L978 HydrophobicContact CE2-CB 3.95Å; F936-L978 HydrophobicContact CE2-CD2 3.85Å; F936-L978 HydrophobicContact CE2-CG 4.34Å; F936-L978 HydrophobicContact CG-CD2 4.17Å; F936-L978 HydrophobicContact CZ-CB 4.15Å; F936-L978 HydrophobicContact CZ-CD1 4.04Å; F936-L978 HydrophobicContact CZ-CD2 3.81Å; F936-L978 HydrophobicContact CZ-CG 4.21Å; F936-L978 WeakPolarHBondContact O-CD2 3.28Å; K938-L978 WeakPolarHBondContact CA-O 3.3Å; K938-L978 PolarHBondContact N-O 3.43Å; L953-L978 HydrophobicContact CD1-CD1 3.88Å; L974-L978 HydrophobicContact CD1-CD1 3.93Å; L974-L978 HydrophobicContact CD1-CG 4.07Å; L974-L978 HydrophobicContact CG-CD1 4.02Å; L974-L978 HydrophobicContact CG-CG 4.48Å; L974-L978 WeakPolarHBondContact O-CB 3.12Å; L974-L978 VanDerWaalsContact O-CG 3.28Å; L974-L978 WeakPolarHBondContact O-CG 3.5Å; L974-L978 PolarHBondContact O-N 3.01Å; F976-L978 PolarHBondContact O-N 3.49Å
979	F	80.2	Confident	78.2	Confident	10 Å²	10	33.6 Å²	33.6	4%	0.044	20%	0.195	C	C	.	.	H	α-helix	trans	-125.8	-13.1	-169.4	-49.5	-67.4	0	0	0	114.9	F936 V950 L953 Y975 S982 P984	F936-F979 AromaticContact CE2-CE1 3.92Å; F936-F979 HydrophobicContact CE2-CE1 3.92Å; F936-F979 HydrophobicContact CE2-CZ 4.3Å; F936-F979 HydrophobicContact CZ-CE1 4.05Å; F936-F979 HydrophobicContact CZ-CZ 4.01Å; V950-F979 HydrophobicContact CG2-CE1 4.03Å; V950-F979 HydrophobicContact CG2-CE2 4.07Å; V950-F979 HydrophobicContact CG2-CZ 3.61Å; L953-F979 HydrophobicContact CD1-CE2 3.93Å; Y975-F979 HydrophobicContact CD1-CD2 4.21Å; Y975-F979 AromaticContact CD2-CD2 3.82Å; Y975-F979 HydrophobicContact CD2-CD2 3.82Å; Y975-F979 HydrophobicContact CD2-CE2 4.12Å; Y975-F979 HydrophobicContact CE1-CB 4.36Å; Y975-F979 HydrophobicContact CE1-CD2 4.24Å; Y975-F979 AromaticContact CE2-CD2 3.84Å; Y975-F979 HydrophobicContact CE2-CD2 3.84Å; Y975-F979 HydrophobicContact CE2-CE2 4.16Å; Y975-F979 HydrophobicContact CG-CD2 4.03Å; Y975-F979 PolarHBondContact O-N 3.02Å; F979-S982 PolarHBondContact O-OG 3.43Å; F979-P984 HydrophobicContact CB-CG 4.07Å; F979-P984 HydrophobicContact CD1-CB 3.87Å; F979-P984 HydrophobicContact CD1-CG 4.06Å; F979-P984 HydrophobicContact CD2-CG 4.3Å; F979-P984 HydrophobicContact CE1-CB 4.3Å; F979-P984 HydrophobicContact CG-CB 4.21Å; F979-P984 HydrophobicContact CG-CG 3.87Å
980	G	79.9	Confident	76.8	Confident	9 Å²	9	35.6 Å²	35.6	9%	0.093	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	-155.6	-177	0	0	0	0	0	114	F976 S982	F976-G980 WeakPolarHBondContact O-CA 2.87Å; F976-G980 PolarHBondContact O-N 3.48Å; G980-S982 VanDerWaalsContact C-N 3.26Å; G980-S982 PolarHBondContact O-N 2.9Å
981	L	75.1	Confident	75.1	Confident	63 Å²	63	42.4 Å²	42.4	33%	0.33	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-12.7	177.7	-55.6	-179.3	0	0	0	113.5	L103 H432 F976	L103-L981 HydrophobicContact CD2-CD2 4.09Å; L103-L981 HydrophobicContact CG-CD2 4.4Å; H432-L981 HydrophobicContact CB-CD2 3.95Å; F976-L981 HydrophobicContact CD2-CD2 3.9Å; F976-L981 HydrophobicContact CD2-CG 4.49Å; F976-L981 HydrophobicContact CE2-CD2 3.84Å; F976-L981 HydrophobicContact CE2-CG 4.12Å
982	S	71.3	Confident	73.1	Confident	42 Å²	42	50.2 Å²	50.2	29%	0.294	28%	0.28	S	S	.	.	S	Bend	trans	-78.3	161.2	-177.5	30	0	0	0	0	113.5	K938 F979 G980	K938-S982 WeakPolarHBondContact CE-OG 3.28Å; K938-S982 PolarHBondContact NZ-OG 3.2Å; F979-S982 PolarHBondContact O-OG 3.43Å; G980-S982 VanDerWaalsContact C-N 3.26Å; G980-S982 PolarHBondContact O-N 2.9Å
983	R	72.4	Confident	70.8	Confident	63 Å²	63	50.3 Å²	50.3	24%	0.238	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-62.6	135.4	162.9	-171.8	-171.9	-175.4	79.7	-5.1	108.8	K99 N102 S985 P988	K99-R983 PolarHBondContact O-NH1 3.09Å; N102-R983 WeakPolarHBondContact OD1-CB 3.39Å; R983-S985 PolarHBondContact O-N 3.16Å; R983-P988 PolarHBondContact NH2-O 3.04Å
984	P	77.1	Confident	68.6	Low	4 Å²	4	55 Å²	55	3%	0.026	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-58.3	133.1	168.7	-23.1	32.9	0	0	0	111.1	V950 Y975 F979 C986 L987	V950-P984 HydrophobicContact CG1-CG 4.03Å; V950-P984 HydrophobicContact CG2-CB 4.14Å; V950-P984 HydrophobicContact CG2-CG 4.27Å; Y975-P984 VanDerWaalsContact OH-CG 3.3Å; Y975-P984 WeakPolarHBondContact OH-CG 3.15Å; F979-P984 HydrophobicContact CB-CG 4.07Å; F979-P984 HydrophobicContact CD1-CB 3.87Å; F979-P984 HydrophobicContact CD1-CG 4.06Å; F979-P984 HydrophobicContact CD2-CG 4.3Å; F979-P984 HydrophobicContact CE1-CB 4.3Å; F979-P984 HydrophobicContact CG-CB 4.21Å; F979-P984 HydrophobicContact CG-CG 3.87Å; P984-C986 PolarHBondContact O-N 2.95Å; P984-L987 HydrophobicContact CB-CD1 4.44Å; P984-L987 HydrophobicContact CB-CG 4.31Å; P984-L987 HydrophobicContact CG-CD1 4.25Å; P984-L987 PolarHBondContact O-N 3.11Å
985	S	69.1	Low	66.6	Low	119 Å²	119	59.2 Å²	59.2	83%	0.832	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-24.6	-178.2	47	0	0	0	0	113.6	R983 L987	R983-S985 PolarHBondContact O-N 3.16Å; S985-L987 VanDerWaalsContact C-N 3.26Å; S985-L987 PolarHBondContact O-N 2.96Å
986	C	67.1	Low	64.5	Low	31 Å²	31	64.9 Å²	64.9	21%	0.209	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-6	177.3	56.8	0	0	0	0	114.6	C945 E947 P984	C945-C986 VanDerWaalsContact O-CB 3.23Å; C945-C986 WeakPolarHBondContact O-CB 3.49Å; E947-C986 VanDerWaalsContact CG-O 3.27Å; E947-C986 WeakPolarHBondContact CG-O 3.34Å; P984-C986 PolarHBondContact O-N 2.95Å
987	L	69.3	Low	62.6	Low	16 Å²	16	64.7 Å²	64.7	8%	0.084	36%	0.363	C	S	.	.	S	Bend	trans	-94.9	127.7	176.8	-62.9	179.1	0	0	0	111.6	R101 E947 V950 P984 S985	R101-L987 HydrophobicContact CB-CD1 3.8Å; R101-L987 HydrophobicContact CG-CD1 4.19Å; E947-L987 HydrophobicContact CG-CD2 4.49Å; V950-L987 HydrophobicContact CB-CD2 4.4Å; V950-L987 HydrophobicContact CG1-CD1 4.02Å; V950-L987 HydrophobicContact CG1-CD2 4.08Å; V950-L987 HydrophobicContact CG1-CG 4.27Å; P984-L987 HydrophobicContact CB-CD1 4.44Å; P984-L987 HydrophobicContact CB-CG 4.31Å; P984-L987 HydrophobicContact CG-CD1 4.25Å; P984-L987 PolarHBondContact O-N 3.11Å; S985-L987 VanDerWaalsContact C-N 3.26Å; S985-L987 PolarHBondContact O-N 2.96Å
988	P	63.3	Low	60.9	Low	90 Å²	90	70.6 Å²	70.6	58%	0.584	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-55.7	144.9	178.8	22	-34	0	0	0	111.7	E947 R983	E947-P988 WeakPolarHBondContact OE1-CD 3.2Å; R983-P988 PolarHBondContact NH2-O 3.04Å
989	L	58	Low	59.3	Low	117 Å²	117	79.9 Å²	79.9	61%	0.613	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-61.6	142.6	-179.2	-69.9	173.2	0	0	0	111	E991 I1009	L989-E991 PolarHBondContact O-N 2.98Å; L989-I1009 HydrophobicContact CD2-CG2 4.37Å
990	P	55.8	Low	58	Low	43 Å²	43	85.7 Å²	85.7	28%	0.279	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-63.2	124.9	174.7	-19.2	31.9	0	0	0	111	L992 G993	P990-L992 PolarHBondContact O-N 3.37Å; P990-G993 PolarHBondContact O-N 2.98Å
991	E	49	Very low	56.2	Low	149 Å²	149	94.6 Å²	94.6	70%	0.696	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-57.1	-21.3	-176.1	-61.9	149.9	109.2	0	0	113.8	K99 L989 G993	K99-E991 IonicContact NZ-OE2 3.69Å; K99-E991 PolarHBondContact NZ-OE2 3.27Å; L989-E991 PolarHBondContact O-N 2.98Å; E991-G993 PolarHBondContact O-N 2.74Å
992	L	46.3	Very low	54.6	Low	165 Å²	165	98.9 Å²	98.9	86%	0.864	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-75.4	8.4	176	-75.5	139.3	0	0	0	114.3	P990	P990-L992 PolarHBondContact O-N 3.37Å
993	G	38.4	Very low	53.2	Low	5 Å²	5	99.9 Å²	99.9	5%	0.052	52%	0.523	C	S	.	.	G	3₁₀ helix	trans	-79.1	-10.3	176	0	0	0	0	0	115.6	P990 E991 N1006	P990-G993 PolarHBondContact O-N 2.98Å; E991-G993 PolarHBondContact O-N 2.74Å; G993-N1006 PolarHBondContact O-N 3.02Å
994	L	40.3	Very low	51.8	Low	115 Å²	115	100.9 Å²	100.9	60%	0.602	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	101.4	-174.6	-77.4	163.8	0	0	0	112.3	A1003	L994-A1003 HydrophobicContact CD2-CB 3.78Å
995	V	44.7	Very low	50	Low	92 Å²	92	105.6 Å²	105.6	56%	0.558	56%	0.56	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.4	114	166.9	-178.8	0	0	0	0	108.6	N997 V1004	V995-N997 PolarHBondContact O-N 3.22Å; V995-V1004 PolarHBondContact N-O 3.15Å; V995-V1004 PolarHBondContact O-N 2.65Å
996	L	43.2	Very low	48.4	Very low	118 Å²	118	103.2 Å²	103.2	62%	0.618	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	110.1	172.3	-89.8	163.1	0	0	0	109.8	L998	L996-L998 PolarHBondContact O-N 2.73Å
997	N	46	Very low	46.8	Very low	63 Å²	63	106.5 Å²	106.5	34%	0.337	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.3	95.4	170.8	-173.6	3.5	0	0	0	109.4	V995 K999 E1000 K1001 K1002	V995-N997 PolarHBondContact O-N 3.22Å; N997-K999 PolarHBondContact O-N 2.75Å; N997-K999 PolarHBondContact OD1-N 3.04Å; N997-E1000 PolarHBondContact ND2-OE2 3.39Å; N997-E1000 PolarHBondContact O-N 2.6Å; N997-K1001 PolarHBondContact O-N 3.04Å; N997-K1001 VanDerWaalsContact O-N 3.17Å; N997-K1002 PolarHBondContact N-O 3.34Å
998	L	49.8	Very low	45.2	Very low	164 Å²	164	111.4 Å²	111.4	86%	0.859	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-18.8	-175	-72.6	170	0	0	0	114.3	L996	L996-L998 PolarHBondContact O-N 2.73Å
999	K	49.4	Very low	43.9	Very low	199 Å²	199	110.7 Å²	110.7	87%	0.865	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-25.8	173.6	-80.2	-172.1	171.8	-176.6	0	114.3	N997	N997-K999 PolarHBondContact O-N 2.75Å; N997-K999 PolarHBondContact OD1-N 3.04Å
1000	E	52.8	Low	42.6	Very low	132 Å²	132	111.4 Å²	111.4	62%	0.617	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.8	-5.6	-167.2	-66.4	179	158.7	0	0	113.9	N997 K1002	N997-E1000 PolarHBondContact ND2-OE2 3.39Å; N997-E1000 PolarHBondContact O-N 2.6Å; E1000-K1002 PolarHBondContact O-N 2.9Å; E1000-K1002 VanDerWaalsContact O-N 3.08Å
1001	K	42.3	Very low	41.3	Very low	197 Å²	197	114.6 Å²	114.6	86%	0.857	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	53	26.5	-179.1	-64.7	-173.6	175.5	-178.3	0	114.4	N997	N997-K1001 PolarHBondContact O-N 3.04Å; N997-K1001 VanDerWaalsContact O-N 3.17Å
1002	K	40.5	Very low	40.2	Very low	152 Å²	152	116.9 Å²	116.9	66%	0.661	62%	0.615	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-115.5	142.3	171.3	-72.8	-175.5	176.9	-179.7	0	110.8	N997 E1000	N997-K1002 PolarHBondContact N-O 3.34Å; E1000-K1002 PolarHBondContact O-N 2.9Å; E1000-K1002 VanDerWaalsContact O-N 3.08Å
1003	A	42.4	Very low	39.3	Very low	64 Å²	64	113.5 Å²	113.5	53%	0.529	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.5	133.8	167.8	0	0	0	0	0	109.4	L994	L994-A1003 HydrophobicContact CD2-CB 3.78Å
1004	V	43	Very low	38.8	Very low	84 Å²	84	120 Å²	120	51%	0.509	65%	0.649	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.6	138.8	176.1	-174.2	0	0	0	0	108.9	V995	V995-V1004 PolarHBondContact N-O 3.15Å; V995-V1004 PolarHBondContact O-N 2.65Å
1005	L	39	Very low	38.1	Very low	103 Å²	103	119.3 Å²	119.3	54%	0.539	66%	0.66	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.3	144.9	177.1	-81.4	162.1	0	0	0	111.3
1006	N	35.6	Very low	37.1	Very low	68 Å²	68	117.7 Å²	117.7	36%	0.364	66%	0.661	S	S	.	*			trans	-64.4	126.8	179.1	-162	-8.6	0	0	0	111.3	G993 T1008 I1009	G993-N1006 PolarHBondContact O-N 3.02Å; N1006-T1008 PolarHBondContact O-N 2.93Å; N1006-I1009 PolarHBondContact O-N 3.13Å
1007	P	34.5	Very low	36.4	Very low	100 Å²	100	120 Å²	120	65%	0.649	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-59.5	-14.3	-173.1	-28.7	36.4	0	0	0	116.5	I1009	P1007-I1009 PolarHBondContact O-N 2.96Å
1008	T	34.5	Very low	35.4	Very low	120 Å²	120	126.2 Å²	126.2	74%	0.736	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-75	1.6	174.2	46.1	0	0	0	0	114.4	N1006	N1006-T1008 PolarHBondContact O-N 2.93Å
1009	I	36.4	Very low	34.3	Very low	75 Å²	75	127.5 Å²	127.5	39%	0.385	70%	0.703	S	S	.	*	G	3₁₀ helix	trans	-124.9	39.9	-177.7	-35.3	-179.6	0	0	0	111.4	L989 N1006 P1007	L989-I1009 HydrophobicContact CD2-CG2 4.37Å; N1006-I1009 PolarHBondContact O-N 3.13Å; P1007-I1009 PolarHBondContact O-N 2.96Å
1010	I	30.3	Very low	33.1	Very low	131 Å²	131	122.9 Å²	122.9	67%	0.672	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-97.6	121	171.2	-60	174.7	0	0	0	108.6
1011	P	28.6	Very low	31.8	Very low	110 Å²	110	121.4 Å²	121.4	71%	0.714	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-66	138	166.3	-15	29.7	0	0	0	109.8	A1013	P1011-A1013 PolarHBondContact O-N 3.31Å; P1011-A1013 VanDerWaalsContact O-N 3.13Å
1012	E	26.7	Very low	30.9	Very low	197 Å²	197	119.1 Å²	119.1	92%	0.921	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-57.2	119.8	176.4	-70	177.7	122.4	0	0	110.6
1013	A	26.6	Very low	30.2	Very low	95 Å²	95	119.4 Å²	119.4	79%	0.785	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-69.6	144.5	177.7	0	0	0	0	0	110.5	P1011 A1015	P1011-A1013 PolarHBondContact O-N 3.31Å; P1011-A1013 VanDerWaalsContact O-N 3.13Å; A1013-A1015 PolarHBondContact O-N 3.37Å; A1013-A1015 VanDerWaalsContact O-N 3.14Å
1014	V	27.8	Very low	29.8	Very low	142 Å²	142	122 Å²	122	86%	0.861	73%	0.73	S	S	*	*			trans	-62.6	115.7	-174.8	179.8	0	0	0	0	110.7	G1016	V1014-G1016 VanDerWaalsContact C-N 3.27Å; V1014-G1016 PolarHBondContact O-N 2.78Å
1015	A	25.6	Very low	28.9	Very low	100 Å²	100	124 Å²	124	83%	0.826	75%	0.748	S	S	*	*			trans	-72.1	82.3	167.7	0	0	0	0	0	109.9	A1013	A1013-A1015 PolarHBondContact O-N 3.37Å; A1013-A1015 VanDerWaalsContact O-N 3.14Å
1016	G	24.7	Very low	28.3	Very low	57 Å²	57	124.4 Å²	124.4	59%	0.588	76%	0.759	S	S	*	*			trans	-70.3	143.2	171	0	0	0	0	0	111.4	V1014 Q1018	V1014-G1016 VanDerWaalsContact C-N 3.27Å; V1014-G1016 PolarHBondContact O-N 2.78Å; G1016-Q1018 PolarHBondContact O-N 2.62Å
1017	N	27.6	Very low	27.7	Very low	167 Å²	167	129.8 Å²	129.8	89%	0.893	78%	0.781	S	S	*	*			trans	-56.9	133.9	176.1	-70.5	-15.8	0	0	0	111.3
1018	Q	25.9	Very low	28.1	Very low	193 Å²	193	129.9 Å²	129.9	90%	0.902	78%	0.782	S	S	*	*			trans	-123.5	122.8	155	-72.9	-170.1	-16.1	0	0	108.4	G1016	G1016-Q1018 PolarHBondContact O-N 2.62Å
1019	E	25.6	Very low	27.5	Very low	192 Å²	192	132.3 Å²	132.3	90%	0.897	79%	0.785	S	S	*	*			trans	-74.2	138.1	174.7	-64.3	-178.3	122	0	0	110.1	A1021	E1019-A1021 PolarHBondContact O-N 3.39Å; E1019-A1021 VanDerWaalsContact O-N 3.11Å
1020	A	24.2	Very low	26.9	Very low	102 Å²	102	136.3 Å²	136.3	84%	0.843	81%	0.806	S	S	*	*			trans	-80.9	91.7	-178.8	0	0	0	0	0	111.4
1021	A	25.1	Very low	26.5	Very low	101 Å²	101	136.1 Å²	136.1	84%	0.835	81%	0.811	S	S	*	*			trans	-85.9	113.6	167.9	0	0	0	0	0	110.7	E1019	E1019-A1021 PolarHBondContact O-N 3.39Å; E1019-A1021 VanDerWaalsContact O-N 3.11Å
1022	N	25.1	Very low	26.2	Very low	148 Å²	148	134.1 Å²	134.1	79%	0.791	81%	0.81	S	S	*	*			trans	-73.9	130.9	174.6	-74.6	-42.2	0	0	0	111.5
1023	N	25.1	Very low	25.9	Very low	159 Å²	159	133.3 Å²	133.3	85%	0.85	80%	0.804	S	S	*	*				-176.4	143.3	123.4	-93.1	-25	0	0	0	112.3
1024	P	33.7	Very low	25.7	Very low	119 Å²	119	137 Å²	137	77%	0.773	81%	0.805	S	S	*	*			trans	-109.9	132.4	177.9	36.9	-28.5	0	0	0	114.2
1025	S	24.4	Very low	25.5	Very low	126 Å²	126	137.5 Å²	137.5	88%	0.881	80%	0.803	S	S	*	*			trans	-165.2	160.6	152.9	50.5	0	0	0	0	113.9
1026	S	25.6	Very low	26.1	Very low	110 Å²	110	137.4 Å²	137.4	77%	0.769	79%	0.794	S	S	*	*			trans	-63.8	150.3	-166.5	47.9	0	0	0	0	119.6
1027	H	22.7	Very low	26.1	Very low	181 Å²	181	144 Å²	144	84%	0.838	81%	0.807	S	S	*	*			trans	-11.9	163.8	137.2	-73.8	-49.6	0	0	0	119.5
1028	P	42.8	Very low	25.9	Very low	103 Å²	103	141.1 Å²	141.1	67%	0.669	80%	0.8	S	S	*	*			cis	-144.2	-163.1	-24.1	39.1	-18.3	0	0	0	114.8
1029	Q	22.9	Very low	25.7	Very low	171 Å²	171	136.5 Å²	136.5	80%	0.799	79%	0.789	S	S	*	*			trans	82.9	105	154.4	-76.6	177.5	-31.1	0	0	122.6
1030	L	23.7	Very low	25.8	Very low	158 Å²	158	131.9 Å²	131.9	83%	0.827	78%	0.777	S	S	*	*				60.3	143.2	108.7	-102.8	163.2	0	0	0	123.7
1031	V	22.4	Very low	25.9	Very low	127 Å²	127	134.5 Å²	134.5	77%	0.77	77%	0.772	S	S	*	*			trans	87	96.3	162.7	-164.3	0	0	0	0	119.9
1032	G	21.3	Very low	26	Very low	68 Å²	68	135.1 Å²	135.1	70%	0.701	76%	0.762	S	S	*	*				90.5	151.4	108.6	0	0	0	0	0	122.8
1033	F	21.5	Very low	26.2	Very low	181 Å²	181	136.5 Å²	136.5	79%	0.794	76%	0.763	S	S	*	*			trans	80.8	108.7	156.3	-78.4	-94.5	0	0	0	123.1
1034	Q	21.4	Very low	26.4	Very low	172 Å²	172	136.6 Å²	136.6	80%	0.804	76%	0.759	S	S	*	*				67.7	108.5	128.9	-76.6	-178.7	-18.3	0	0	124.1
1035	N	23.5	Very low	26	Very low	153 Å²	153	139.5 Å²	139.5	82%	0.818	76%	0.762	S	S	*	*			trans	-34.9	167.2	131.9	-88.2	6.3	0	0	0	114.9
1036	P	39.8	Very low	26	Very low	97 Å²	97	140.4 Å²	140.4	63%	0.63	76%	0.755	S	S	*	*			cis	-156.3	-172.3	47.5	33.6	-6.2	0	0	0	120.2
1037	F	22.8	Very low	26	Very low	197 Å²	197	141.8 Å²	141.8	86%	0.864	75%	0.754	S	S	*	*			trans	74.8	145	164.8	-64	-63.3	0	0	0	118.7
1038	S	24.2	Very low	26.2	Very low	106 Å²	106	139.7 Å²	139.7	74%	0.741	75%	0.746	S	S	*	*			cis	-151.7	173.3	-8.4	51.4	0	0	0	0	108.4
1039	S	22.9	Very low	25.4	Very low	96 Å²	96	140.6 Å²	140.6	67%	0.671	75%	0.745	S	S	*	*			cis	-166.7	153.8	30.6	54.6	0	0	0	0	113.5
1040	S	26.2	Very low	25.8	Very low	94 Å²	94	138.1 Å²	138.1	66%	0.657	74%	0.742	S	S	*	*			trans	51.9	142.2	141.7	61.6	0	0	0	0	123.4
1041	Q	26.9	Very low	25.9	Very low	158 Å²	158	136.4 Å²	136.4	74%	0.738	74%	0.738	S	S	*	*			cis	-167.7	144	-6.4	-105.4	-178.6	-85.8	0	0	109.9
1042	D	26.4	Very low	26.3	Very low	114 Å²	114	138.2 Å²	138.2	61%	0.61	74%	0.738	S	S	*	*				54.4	156.9	128.4	-46	-6.8	0	0	0	121.1
1043	E	30.1	Very low	26.6	Very low	177 Å²	177	141.5 Å²	141.5	83%	0.827	74%	0.739	S	S	*	*			cis	-168.5	163.7	-7.3	-110.4	168.8	167.3	0	0	105.8
1044	E	28.3	Very low	27	Very low	161 Å²	161	138.7 Å²	138.7	75%	0.752	74%	0.742	S	S	*	*			cis	-121.7	179.1	-3.7	-63.7	176.2	87.1	0	0	108.5
1045	E	25.2	Very low	27.3	Very low	180 Å²	180	138.8 Å²	138.8	84%	0.841	74%	0.742	S	S	*	*			cis	91.1	170.6	15.3	-129.6	68.7	-80	0	0	118.8
1046	I	24.7	Very low	27.4	Very low	144 Å²	144	135.9 Å²	135.9	74%	0.738	74%	0.74	S	S	*	*			trans	77.2	132.6	-168.6	-46.7	175.6	0	0	0	116.3
1047	D	25.8	Very low	26.8	Very low	139 Å²	139	139.6 Å²	139.6	74%	0.743	75%	0.746	S	S	*	*			cis	160.2	166.9	-47.6	-171.3	26.1	0	0	0	110.5
1048	M	27	Very low	27.1	Very low	138 Å²	138	137.1 Å²	137.1	68%	0.68	74%	0.74	S	S	*	*			trans	83.1	93.8	164.8	-62.2	-62.8	-71.3	0	0	122.7
1049	D	25.8	Very low	27.2	Very low	121 Å²	121	136.4 Å²	136.4	65%	0.647	74%	0.736	S	S	*	*				86.1	129.7	105.8	-130.2	-10.8	0	0	0	126.3
1050	T	31.1	Very low	27.5	Very low	119 Å²	119	139.4 Å²	139.4	73%	0.73	74%	0.739	S	S	*	*			trans	31.3	161.8	152.6	42	0	0	0	0	129.7
1051	V	26.7	Very low	27.6	Very low	122 Å²	122	141.9 Å²	141.9	74%	0.739	74%	0.74	S	S	*	*			trans	114.8	90.2	146.3	-166.2	0	0	0	0	120.5
1052	H	30.6	Very low	27.6	Very low	165 Å²	165	140.8 Å²	140.8	76%	0.764	74%	0.738	S	S	*	*			trans	51	141.3	132.4	-68.1	4	0	0	0	127.2
1053	D	28.1	Very low	27.6	Very low	138 Å²	138	141.7 Å²	141.7	74%	0.738	74%	0.743	S	S	*	*			trans	60.7	151.7	142	-59.2	-23.6	0	0	0	121.3
1054	S	28.9	Very low	27.4	Very low	121 Å²	121	140.3 Å²	140.3	85%	0.846	74%	0.738	S	S	*	*			cis	-144.5	165.3	26.8	-61.1	0	0	0	0	116.7
1055	Q	27.9	Very low	27.2	Very low	174 Å²	174	138.4 Å²	138.4	81%	0.813	73%	0.733	S	S	*	*			trans	-65.3	152.7	-173.6	-53.5	159	7.3	0	0	118.9
1056	A	26.7	Very low	27.2	Very low	92 Å²	92	138 Å²	138	76%	0.76	73%	0.731	S	S	*	*				-178.4	127.4	128.5	0	0	0	0	0	109.5
1057	F	26.3	Very low	27.3	Very low	176 Å²	176	142.2 Å²	142.2	77%	0.772	74%	0.737	S	S	*	*				57	133.3	58.2	-78.3	-106.3	0	0	0	114
1058	I	28.7	Very low	27.9	Very low	144 Å²	144	141 Å²	141	74%	0.738	74%	0.737	S	S	*	*			cis	-168.5	174.2	-11.5	-141.9	-170.9	0	0	0	107.1
1059	S	26.8	Very low	27.7	Very low	92 Å²	92	139.4 Å²	139.4	64%	0.643	74%	0.74	S	S	*	*			cis	-161.9	137.1	4.2	53.7	0	0	0	0	114.4
1060	H	30.4	Very low	28.1	Very low	159 Å²	159	140 Å²	140	74%	0.736	75%	0.748	S	S	*	*			trans	54.6	119.8	131	-126.3	-115.3	0	0	0	124.4
1061	H	27.9	Very low	28.7	Very low	146 Å²	146	140.4 Å²	140.4	68%	0.676	75%	0.752	S	S	*	*				82.2	147.3	127.2	-102.2	31.5	0	0	0	126.5
1062	L	26.9	Very low	28.6	Very low	134 Å²	134	138.1 Å²	138.1	70%	0.702	75%	0.754	S	S	*	*			trans	77	97.5	145.1	-70.4	166.9	0	0	0	123.3
1063	N	25.9	Very low	28.4	Very low	133 Å²	133	138.2 Å²	138.2	71%	0.711	76%	0.759	S	S	*	*				69.2	154.8	99.9	-159.5	25.9	0	0	0	121.4
1064	M	24.8	Very low	28.3	Very low	148 Å²	148	136.7 Å²	136.7	73%	0.729	76%	0.759	S	S	*	*			trans	72.3	150.9	168.7	-52.6	-144.8	-54.9	0	0	116.2
1065	L	25.3	Very low	28.2	Very low	122 Å²	122	139.1 Å²	139.1	64%	0.639	75%	0.754	S	S	*	*			cis	-156.8	174.2	-15.1	-116.4	173.8	0	0	0	109.8
1066	E	25.2	Very low	28.1	Very low	172 Å²	172	141.1 Å²	141.1	80%	0.804	76%	0.756	S	S	*	*			trans	68.5	133.4	147.4	-89.2	152.2	-153.3	0	0	124.5
1067	R	26.4	Very low	27.9	Very low	232 Å²	232	147.7 Å²	147.7	88%	0.875	76%	0.761	S	S	*	*			trans	-72.5	177.7	157.9	-58.5	171.9	172.8	170.2	-3.8	108.6
1068	P	38.2	Very low	28.4	Very low	113 Å²	113	145.4 Å²	145.4	73%	0.734	76%	0.764	S	S	*	*			cis	-154.1	-160.1	27.2	38.9	-12.8	0	0	0	117.5
1069	S	22.5	Very low	28.3	Very low	105 Å²	105	142.6 Å²	142.6	73%	0.734	76%	0.762	S	S	*	*			trans	77.3	111.7	152	28.7	0	0	0	0	121.5
1070	T	34.9	Very low	28.3	Very low	133 Å²	133	143.4 Å²	143.4	82%	0.816	77%	0.767	S	S	*	*			trans	-68.5	177.8	134.4	51.5	0	0	0	0	110.1
1071	P	43.9	Very low	28	Very low	128 Å²	128	140.9 Å²	140.9	83%	0.831	77%	0.768	S	S	*	*			cis	-137.5	-166.6	9.8	43.9	-25.2	0	0	0	114.9
1072	G	24.3	Very low	27.9	Very low	74 Å²	74	145.2 Å²	145.2	76%	0.763	78%	0.778	S	S	*	*			trans	172.1	124.1	163.1	0	0	0	0	0	116.9
1073	L	27	Very low	27.7	Very low	167 Å²	167	144.1 Å²	144.1	87%	0.874	78%	0.782	S	S	*	*			trans	-88.4	159.7	178.7	-69	68.8	0	0	0	112.7
1074	S	24.5	Very low	27.8	Very low	106 Å²	106	141.7 Å²	141.7	74%	0.741	78%	0.781	S	S	*	*				-171.6	141.8	118.8	43.9	0	0	0	0	116.6
1075	K	26.8	Very low	27.9	Very low	171 Å²	171	142.8 Å²	142.8	74%	0.743	79%	0.788	S	S	*	*			trans	25.3	138.2	140.2	-49.8	172	-175.6	173.1	0	118.9
1076	Y	26.8	Very low	28.1	Very low	216 Å²	216	143.6 Å²	143.6	85%	0.847	79%	0.792	S	S	*	*				-162.2	168.7	65.4	-107.8	-90.6	0	0	0	115.5
1077	R	23.1	Very low	28.5	Very low	231 Å²	231	140.2 Å²	140.2	87%	0.872	79%	0.785	S	S	*	*			trans	-119.7	168.7	166.6	-104.3	-177.3	178.7	-177.6	-0.1	107.3
1078	P	36.7	Very low	28.4	Very low	128 Å²	128	137.4 Å²	137.4	83%	0.831	78%	0.782	S	S	*	*			cis	-147.4	-159.9	38.4	43.9	-21.7	0	0	0	116.4
1079	A	25.6	Very low	27.8	Very low	85 Å²	85	139.8 Å²	139.8	70%	0.702	78%	0.783	S	S	*	*			trans	-78.8	156.5	-160.3	0	0	0	0	0	119.1
1080	S	26.4	Very low	27.9	Very low	108 Å²	108	140 Å²	140	76%	0.755	78%	0.784	S	S	*	*			trans	55.8	127.7	135.9	66	0	0	0	0	121.9
1081	S	24.5	Very low	27.4	Very low	107 Å²	107	139.2 Å²	139.2	75%	0.748	78%	0.779	S	S	*	*				179.4	169.2	93.6	55.5	0	0	0	0	112.8
1082	R	25	Very low	26.5	Very low	236 Å²	236	137.2 Å²	137.2	89%	0.891	78%	0.782	S	S	*	*			trans	27.5	144	147.3	-72.4	176.1	177.3	171.6	-2	120.4
1083	S	24.2	Very low	26.6	Very low	111 Å²	111	139.7 Å²	139.7	78%	0.776	79%	0.787	S	S	*	*			cis	-156.1	163.8	11.3	-112.2	0	0	0	0	112.3
1084	A	27.3	Very low	26.6	Very low	83 Å²	83	139.3 Å²	139.3	69%	0.686	79%	0.785	S	S	*	*			trans	-70.8	162.4	170	0	0	0	0	0	113.1
1085	L	26.2	Very low	26.6	Very low	170 Å²	170	138.4 Å²	138.4	89%	0.89	78%	0.779	S	S	*	*			trans	-139.3	129.6	153.6	-108.5	169.6	0	0	0	109.6
1086	I	30	Very low	26.5	Very low	140 Å²	140	136.5 Å²	136.5	72%	0.718	78%	0.782	S	S	*	*			trans	-130	129.5	177.3	-59.8	165.8	0	0	0	106.3
1087	P	33.6	Very low	26.8	Very low	101 Å²	101	131 Å²	131	66%	0.656	77%	0.773	S	S	*	*				-143.5	166.1	126.3	29.3	-11.2	0	0	0	112.2
1088	Q	25.7	Very low	26.9	Very low	173 Å²	173	126 Å²	126	81%	0.808	77%	0.768	S	S	*	*			cis	-157	142.6	-18.8	-104.5	156.5	-6.6	0	0	105
1089	H	24.3	Very low	26.6	Very low	163 Å²	163	126 Å²	126	76%	0.755	77%	0.765	S	S	*	*				64.9	95.4	66.7	-100.6	-82.3	0	0	0	116.1	T1091	H1089-T1091 WeakPolarHBondContact ND1-CG2 3.47Å
1090	S	25.5	Very low	27.2	Very low	110 Å²	110	129.4 Å²	129.4	77%	0.769	76%	0.764	S	S	*	*			trans	-154.2	102.6	133.3	58	0	0	0	0	108.1
1091	T	24.7	Very low	27.4	Very low	115 Å²	115	130.1 Å²	130.1	71%	0.706	77%	0.767	S	S	*	*				59.9	83.7	68.8	72.1	0	0	0	0	113.9	H1089	H1089-T1091 WeakPolarHBondContact ND1-CG2 3.47Å
1092	G	24.3	Very low	27.3	Very low	87 Å²	87	129.9 Å²	129.9	90%	0.897	75%	0.754	S	S	*	*			trans	-119	90.4	156	0	0	0	0	0	108.3
1093	C	26.5	Very low	27.2	Very low	126 Å²	126	128.4 Å²	128.4	85%	0.851	75%	0.748	S	S	*	*			trans	-103.7	119.1	171	-177.1	0	0	0	0	107
1094	D	26.3	Very low	27.2	Very low	159 Å²	159	127.9 Å²	127.9	85%	0.85	74%	0.744	S	S	*	*			trans	-153.1	164.2	157	-132.3	-34.5	0	0	0	111.6
1095	S	24.2	Very low	27.1	Very low	87 Å²	87	130.8 Å²	130.8	61%	0.608	75%	0.748	S	S	*	*			trans	-124.5	155.7	-170.2	68.1	0	0	0	0	112.6
1096	T	26.3	Very low	27.2	Very low	130 Å²	130	130.6 Å²	130.6	80%	0.798	74%	0.742	S	S	*	*			trans	69.2	165.4	176.2	83.1	0	0	0	0	115.4
1097	P	31.9	Very low	27	Very low	101 Å²	101	131.7 Å²	131.7	66%	0.656	75%	0.749	S	S	*	*			cis	-123.1	-157.8	-43.5	27.4	-7.5	0	0	0	109.6
1098	T	25.4	Very low	26.7	Very low	127 Å²	127	130.5 Å²	130.5	78%	0.779	75%	0.747	S	S	*	*			trans	69	135.9	171.5	73.3	0	0	0	0	115.7
1099	T	30.3	Very low	26.8	Very low	126 Å²	126	133 Å²	133	77%	0.773	75%	0.749	S	S	*	*			cis	-146.2	120.5	-10.8	-0.6	0	0	0	0	109.8
1100	K	37.8	Very low	27	Very low	157 Å²	157	135 Å²	135	68%	0.683	76%	0.756	S	S	*	*			trans	-72.1	145.3	139.1	-72.3	-176.8	170	-173.8	0	106.9	Q1102	K1100-Q1102 HydrophobicContact CB-CB 4Å; K1100-Q1102 HydrophobicContact CD-CB 4.2Å; K1100-Q1102 VanDerWaalsContact CD-OE1 3.26Å
1101	P	31.9	Very low	27.1	Very low	124 Å²	124	132.6 Å²	132.6	81%	0.805	75%	0.748	S	S	*	*				-112.8	148.8	75	-6.8	27	0	0	0	112.6
1102	Q	22.1	Very low	27.2	Very low	102 Å²	102	134.6 Å²	134.6	48%	0.477	76%	0.761	S	S	.	*			cis	74.9	99.3	17.6	-160.6	175.4	-78.1	0	0	116.4	K1100	K1100-Q1102 HydrophobicContact CB-CB 4Å; K1100-Q1102 HydrophobicContact CD-CB 4.2Å; K1100-Q1102 VanDerWaalsContact CD-OE1 3.26Å
1103	W	22	Very low	27.3	Very low	205 Å²	205	134 Å²	134	78%	0.777	75%	0.754	S	S	*	*			trans	64.7	127.3	151.2	-59.8	-38.8	0	0	0	120.6
1104	S	25.8	Very low	27.3	Very low	99 Å²	99	136.1 Å²	136.1	69%	0.692	75%	0.749	S	S	*	*				36.4	137.2	115.2	-36.7	0	0	0	0	120.2
1105	L	25.4	Very low	27.1	Very low	144 Å²	144	134.9 Å²	134.9	75%	0.754	74%	0.738	S	S	*	*				-168.2	129.5	121.3	-116.8	63.1	0	0	0	107.9
1106	E	26.8	Very low	27	Very low	166 Å²	166	139.1 Å²	139.1	78%	0.776	75%	0.749	S	S	*	*				60.9	128.8	96.3	-70	-164.6	137.2	0	0	117.6
1107	L	25.8	Very low	27	Very low	163 Å²	163	138.2 Å²	138.2	85%	0.853	75%	0.747	S	S	*	*				-170.7	142.5	125.3	-96.9	157.2	0	0	0	107.5
1108	A	27.3	Very low	27.2	Very low	76 Å²	76	138.6 Å²	138.6	63%	0.628	75%	0.75	S	S	*	*			cis	-151.7	157	5.4	0	0	0	0	0	114.2
1109	R	28.6	Very low	27.1	Very low	225 Å²	225	139.8 Å²	139.8	85%	0.849	75%	0.751	S	S	*	*			trans	12.4	144.4	135.3	-66.3	170.4	177.3	176.4	-1.8	118
1110	K	28.7	Very low	26.8	Very low	206 Å²	206	140.8 Å²	140.8	90%	0.896	75%	0.746	S	S	*	*			cis	-168.7	155.8	28.1	-126.1	170.6	-179.7	-174.4	0	106.9
1111	G	27.1	Very low	26.1	Very low	59 Å²	59	141.4 Å²	141.4	61%	0.608	75%	0.754	S	S	*	*			cis	168.2	168.3	-4.2	0	0	0	0	0	110.7
1112	T	27.5	Very low	25.8	Very low	157 Å²	157	138.5 Å²	138.5	96%	0.963	75%	0.747	S	S	*	*			trans	59.5	135.3	172.7	56.4	0	0	0	0	119
1113	G	25.3	Very low	25.9	Very low	74 Å²	74	141.5 Å²	141.5	76%	0.763	76%	0.763	S	S	*	*			cis	165	158.9	-11.1	0	0	0	0	0	114.5
1114	K	25.8	Very low	26.2	Very low	172 Å²	172	139.2 Å²	139.2	75%	0.748	76%	0.76	S	S	*	*			trans	68.7	130.2	162.9	-98.3	172.8	162.4	-91.7	0	121.8
1115	E	22.8	Very low	26.6	Very low	133 Å²	133	139.8 Å²	139.8	62%	0.621	76%	0.762	S	S	*	*			trans	77.5	126.2	133.9	-77.9	160.9	171	0	0	124.8
1116	Q	23	Very low	26.6	Very low	176 Å²	176	140 Å²	140	82%	0.822	77%	0.768	S	S	*	*			trans	69	137.6	139.3	-65.6	178.1	5.1	0	0	122.1
1117	S	26.7	Very low	26.6	Very low	110 Å²	110	136.8 Å²	136.8	77%	0.769	77%	0.77	S	S	*	*			trans	-76.1	149.2	158	56.1	0	0	0	0	110.8
1118	P	34.6	Very low	26.6	Very low	109 Å²	109	135 Å²	135	71%	0.708	77%	0.771	S	S	*	*				-148.3	178.6	91.3	40.5	-24.3	0	0	0	115.7
1119	L	24.3	Very low	26.6	Very low	152 Å²	152	136 Å²	136	80%	0.796	78%	0.78	S	S	*	*			trans	15.3	148.7	138.9	-55.9	166	0	0	0	118.7
1120	E	23.7	Very low	27	Very low	147 Å²	147	131.2 Å²	131.2	69%	0.687	78%	0.778	S	S	*	*			cis	-171.4	164	37.2	-146.9	168.7	-153.2	0	0	112.3
1121	M	23.7	Very low	26.8	Very low	170 Å²	170	129.7 Å²	129.7	84%	0.837	78%	0.779	S	S	*	*			trans	42.1	143.2	159.2	-75.2	171.6	-155.9	0	0	122.8
1122	G	24.9	Very low	26.7	Very low	64 Å²	64	131.8 Å²	131.8	66%	0.66	78%	0.784	S	S	*	*			cis	176.2	175.7	-3	0	0	0	0	0	114.9
1123	M	24.3	Very low	26.7	Very low	164 Å²	164	130.1 Å²	130.1	81%	0.808	77%	0.773	S	S	*	*			trans	25	139.7	143.7	-61.1	175	131.7	0	0	120.4
1124	H	28.6	Very low	26.5	Very low	157 Å²	157	136.8 Å²	136.8	73%	0.727	78%	0.782	S	S	*	*			cis	-161.3	168.3	-2.5	-113.7	-58.7	0	0	0	108.8
1125	P	32.7	Very low	26.4	Very low	111 Å²	111	134.9 Å²	134.9	72%	0.721	79%	0.785	S	S	*	*			trans	-91.1	167	-179	37.8	-33.6	0	0	0	113.5
1126	V	26.4	Very low	26.6	Very low	148 Å²	148	136.9 Å²	136.9	90%	0.897	79%	0.791	S	S	*	*			trans	-129.7	138.5	167.9	-179.4	0	0	0	0	109.2
1127	A	25.9	Very low	26.5	Very low	99 Å²	99	135.4 Å²	135.4	82%	0.818	79%	0.785	S	S	*	*			trans	-93.8	165	-178.4	0	0	0	0	0	112.7
1128	S	26.3	Very low	26.4	Very low	125 Å²	125	135.1 Å²	135.1	87%	0.874	78%	0.782	S	S	*	*			trans	-131.7	135.9	169.6	55.5	0	0	0	0	111.1
1129	A	27.6	Very low	25.8	Very low	97 Å²	97	136.1 Å²	136.1	80%	0.802	79%	0.787	S	S	*	*			trans	-122.4	171.8	-177.3	0	0	0	0	0	110
1130	P	36.3	Very low	25.8	Very low	125 Å²	125	133.4 Å²	133.4	81%	0.812	79%	0.786	S	S	*	*			trans	-98.3	173.1	-148.3	36.6	-34.8	0	0	0	115.6
1131	L	24.3	Very low	25.9	Very low	175 Å²	175	131 Å²	131	92%	0.916	79%	0.786	S	S	*	*			trans	-132.5	167.4	171.6	-83.9	175.3	0	0	0	112.1
1132	S	25.5	Very low	26	Very low	102 Å²	102	131 Å²	131	71%	0.713	78%	0.781	S	S	*	*			trans	-133.2	161.7	-143.7	53.6	0	0	0	0	115.8
1133	V	27.2	Very low	26.1	Very low	122 Å²	122	135.6 Å²	135.6	74%	0.739	79%	0.785	S	S	*	*			trans	42.1	117.4	149.4	179.2	0	0	0	0	119.2
1134	F	22.9	Very low	26.1	Very low	214 Å²	214	131.6 Å²	131.6	94%	0.939	77%	0.773	S	S	*	*			trans	-68	139.6	164.7	-90	-96.2	0	0	0	112.9
1135	T	23.4	Very low	26	Very low	133 Å²	133	130.2 Å²	130.2	82%	0.816	77%	0.771	S	S	*	*			trans	-129.1	176.8	165.6	46.8	0	0	0	0	111.6
1136	K	25.8	Very low	25.8	Very low	174 Å²	174	131.9 Å²	131.9	76%	0.757	77%	0.769	S	S	*	*			trans	-92.8	149.4	-155.2	-94.9	-178.6	158.1	-140.7	0	116.4
1137	E	22.3	Very low	25.9	Very low	146 Å²	146	131.6 Å²	131.6	68%	0.682	76%	0.758	S	S	*	*			trans	69.1	131.2	138.2	-71.6	169.7	-151.9	0	0	122.8
1138	S	22.8	Very low	26	Very low	103 Å²	103	133 Å²	133	72%	0.72	75%	0.747	S	S	*	*			trans	112.7	108.6	130.8	73.3	0	0	0	0	121.5
1139	T	23.3	Very low	26	Very low	131 Å²	131	133.7 Å²	133.7	80%	0.804	74%	0.736	S	S	*	*			trans	67.6	119.6	136.1	55.3	0	0	0	0	123.5
1140	A	24.2	Very low	26.1	Very low	95 Å²	95	134.9 Å²	134.9	79%	0.785	73%	0.725	S	S	*	*			trans	70.7	151.9	135.5	0	0	0	0	0	119.4
1141	S	25.5	Very low	25.7	Very low	96 Å²	96	135.2 Å²	135.2	67%	0.671	72%	0.715	S	S	*	*			cis	179.7	150.1	-20.1	56.5	0	0	0	0	108.9
1142	K	26.4	Very low	26	Very low	169 Å²	169	133.3 Å²	133.3	74%	0.735	70%	0.702	S	S	*	*			trans	159.1	149.4	134.7	-94.9	167	171.3	-175.4	0	116.6
1143	H	26.7	Very low	26.1	Very low	161 Å²	161	134.5 Å²	134.5	75%	0.745	70%	0.696	S	S	*	*			trans	57.7	148.6	146.1	-64.7	-49.7	0	0	0	121
1144	S	23.8	Very low	26.4	Very low	81 Å²	81	134.5 Å²	134.5	57%	0.566	69%	0.687	S	S	*	*			cis	-163.8	169.9	-19.7	56.3	0	0	0	0	111.5
1145	D	26.6	Very low	26.6	Very low	127 Å²	127	131.6 Å²	131.6	68%	0.679	67%	0.674	S	S	*	*			trans	66.1	132.2	157.8	-54.2	-49.7	0	0	0	117.9
1146	H	28.1	Very low	26.9	Very low	147 Å²	147	132.3 Å²	132.3	68%	0.681	67%	0.666	S	S	*	*			cis	-148.6	-165.2	5.5	-126.7	34.6	0	0	0	107.4
1147	H	28.4	Very low	27	Very low	142 Å²	142	132.9 Å²	132.9	66%	0.657	67%	0.669	S	S	*	*			cis	-157.3	-141.7	15.7	-147.2	-6.1	0	0	0	111
1148	H	27.6	Very low	27.2	Very low	128 Å²	128	135 Å²	135	59%	0.593	68%	0.675	S	S	*	*			trans	-71.6	158.9	173.3	-61.5	-66.7	0	0	0	114
1149	H	27.9	Very low	27.5	Very low	139 Å²	139	139 Å²	139	64%	0.644	68%	0.68	S	S	*	*			cis	-170.9	176.6	-6.1	-107.7	-30.7	0	0	0	106.8
1150	H	28.5	Very low	27.6	Very low	123 Å²	123	141.7 Å²	141.7	57%	0.569	68%	0.681	S	S	*	*			cis	-162.1	-168.3	-3.5	-124.7	-47.1	0	0	0	106.2
1151	H	29.1	Very low	27.8	Very low	132 Å²	132	145.7 Å²	145.7	61%	0.611	68%	0.683	S	S	*	*			cis	-151.9	112	-2.9	-149.9	-74.8	0	0	0	111.5
1152	H	29.8	Very low	27.9	Very low	135 Å²	135	149.8 Å²	149.8	63%	0.625	69%	0.688	S	S	*	*			trans	62.9	160.2	151.2	-74.7	-139.8	0	0	0	119.4
1153	E	28.6	Very low	28	Very low	127 Å²	127	148.6 Å²	148.6	59%	0.593	69%	0.685	S	S	*	*			cis	-150.3	148.6	-0.4	-136.3	180	-114.5	0	0	115.7
1154	H	32.3	Very low	28	Very low	121 Å²	121	148.3 Å²	148.3	56%	0.56	68%	0.682	S	S	*	*			trans	50	154.7	139.5	-80.3	-1.1	0	0	0	123.2
1155	K	28	Very low	28.2	Very low	153 Å²	153	151.1 Å²	151.1	67%	0.665	69%	0.686	S	S	*	*			cis	-156.3	140	13.7	-122.1	145.8	-168.4	151.3	0	112.3
1156	K	28.6	Very low	28.2	Very low	148 Å²	148	152.4 Å²	152.4	64%	0.643	69%	0.685	S	S	*	*			trans	20.7	149.5	134	-59.2	164.4	-173.1	163.5	0	120
1157	K	28.3	Very low	28.2	Very low	187 Å²	187	152.4 Å²	152.4	81%	0.813	69%	0.685	S	S	*	*			cis	-161.4	-145.7	-4.8	-98.1	171.3	179.1	179.3	0	106.8
1158	K	27.6	Very low	28.1	Very low	189 Å²	189	153.1 Å²	153.1	82%	0.822	69%	0.686	S	S	*	*			cis	-166	77	9.1	-166.5	-159	177.7	-175.9	0	116.3
1159	K	27.5	Very low	28.2	Very low	189 Å²	189	154 Å²	154	82%	0.822	69%	0.69	S	S	*	*			trans	60.2	136.4	148.3	-77.4	179.6	173.4	177.3	0	124.4
1160	K	27	Very low	28.3	Very low	187 Å²	187	155.5 Å²	155.5	81%	0.813	70%	0.695	S	S	*	*				92.4	143.9	129.6	-83.2	-172.5	171.7	-166.3	0	124.6
1161	H	28.1	Very low	28.4	Very low	179 Å²	179	156.5 Å²	156.5	83%	0.829	70%	0.7	S	S	*	*			trans	-69.3	165	176.9	-35.2	-107.4	0	0	0	117.1
1162	K	27.3	Very low	28.3	Very low	182 Å²	182	156.6 Å²	156.6	79%	0.791	71%	0.705	S	S	*	*				-176.3	133.5	105.5	-104.2	-173.6	170.8	-174.3	0	117.6
1163	H	28.2	Very low	28.2	Very low	143 Å²	143	154.7 Å²	154.7	66%	0.662	71%	0.706	S	S	*	*			trans	51.9	127.7	136.2	-71.9	-40.2	0	0	0	127.1
1164	K	27	Very low	28.3	Very low	155 Å²	155	156.4 Å²	156.4	67%	0.674	71%	0.712	S	S	*	*				89.4	136.3	119.1	-82.7	-178.9	160.9	-149	0	123.9
1165	H	27.8	Very low	28.2	Very low	141 Å²	141	156.4 Å²	156.4	65%	0.653	71%	0.712	S	S	*	*			trans	72	152.3	139.9	-72.7	-22.6	0	0	0	119
1166	K	26.5	Very low	28.4	Very low	153 Å²	153	156.9 Å²	156.9	67%	0.665	71%	0.714	S	S	*	*			cis	-169.2	144.6	-19.6	-135.1	-178.6	171.2	-166.1	0	109.8
1167	H	28.3	Very low	28.4	Very low	148 Å²	148	154.5 Å²	154.5	69%	0.685	71%	0.709	S	S	*	*			trans	62.5	169.6	154.6	-70.1	-41.7	0	0	0	118.1
1168	K	26.9	Very low	28.4	Very low	157 Å²	157	154.4 Å²	154.4	68%	0.683	71%	0.708	S	S	*	*			cis	-160.9	146.9	1	-133	178.7	177.5	-164.9	0	112.3
1169	H	29.3	Very low	28.5	Very low	146 Å²	146	153 Å²	153	68%	0.676	71%	0.705	S	S	*	*			trans	60.7	166.6	148.8	-69.8	-34.2	0	0	0	120
1170	K	29.1	Very low	29.3	Very low	170 Å²	170	149.4 Å²	149.4	74%	0.739	70%	0.7	S	S	*	*			cis	-154.4	146.6	5.6	-140.4	-179.6	174.6	-166	0	112
1171	H	31.6	Very low	29.3	Very low	144 Å²	144	148.8 Å²	148.8	67%	0.667	70%	0.698	S	S	*	*			trans	37.6	155.5	138.6	-76.2	-113.6	0	0	0	122
1172	D	27	Very low	29.1	Very low	134 Å²	134	145.1 Å²	145.1	72%	0.717	69%	0.688	S	S	*	*			cis	-162.1	-179.2	10.1	-118.6	-29.9	0	0	0	107.7
1173	S	27.9	Very low	29	Very low	95 Å²	95	145.7 Å²	145.7	66%	0.664	69%	0.691	S	S	*	*			cis	-171.7	-173.3	-10.4	62.1	0	0	0	0	107.1
1174	K	30.6	Very low	28.8	Very low	163 Å²	163	143.3 Å²	143.3	71%	0.709	69%	0.691	S	S	*	*			cis	-168.1	147.1	-8.7	-134.6	-179.6	-179.2	-130.7	0	109.7
1175	E	30.5	Very low	28.8	Very low	122 Å²	122	141.4 Å²	141.4	57%	0.57	70%	0.697	S	S	*	*			trans	61	156.3	150.9	-76.6	171.4	-131	0	0	119.4
1176	K	31.9	Very low	29.1	Very low	162 Å²	162	140.7 Å²	140.7	70%	0.704	71%	0.705	S	S	*	*			cis	-163	178.5	10.2	-126.3	173.2	176.9	133.1	0	109.8
1177	D	27.1	Very low	29.1	Very low	99 Å²	99	138.1 Å²	138.1	53%	0.529	71%	0.712	S	S	.	*			cis	-138.2	-78.3	-4.1	-158.3	-73.6	0	0	0	113.7
1178	K	29.7	Very low	29	Very low	185 Å²	185	137.2 Å²	137.2	80%	0.804	72%	0.723	S	S	*	*			trans	-152.7	162.9	-159.8	-88.4	179.7	-157.4	95	0	120.6
1179	E	29.4	Very low	29	Very low	160 Å²	160	132.9 Å²	132.9	75%	0.748	72%	0.723	S	S	*	*			trans	-78.3	-173.4	170	-48.8	175	149.6	0	0	114.1
1180	P	43.1	Very low	28.9	Very low	112 Å²	112	138 Å²	138	73%	0.727	74%	0.736	S	S	*	*				-149.4	150.1	87.8	39	-21.2	0	0	0	118.7
1181	F	28.1	Very low	28.7	Very low	174 Å²	174	134.1 Å²	134.1	76%	0.763	73%	0.73	S	S	*	*			trans	41	142.5	134.6	-70.7	-112.6	0	0	0	121
1182	T	24.6	Very low	28.6	Very low	102 Å²	102	133.8 Å²	133.8	63%	0.626	73%	0.732	S	S	*	*			cis	-172.7	161.6	-4.3	16.6	0	0	0	0	108.6
1183	F	23.9	Very low	28.6	Very low	194 Å²	194	138.2 Å²	138.2	85%	0.851	74%	0.738	S	S	*	*				178.7	152.2	117.2	-107.5	-78.3	0	0	0	115.4
1184	S	23.9	Very low	28.4	Very low	93 Å²	93	139.1 Å²	139.1	65%	0.65	75%	0.745	S	S	*	*			trans	-31.3	147.3	177.3	56.5	0	0	0	0	121.5
1185	S	28.2	Very low	28.7	Very low	115 Å²	115	137.2 Å²	137.2	80%	0.804	75%	0.749	S	S	*	*			trans	-89.3	142.7	137.7	-57.8	0	0	0	0	110.5
1186	P	33.2	Very low	28.6	Very low	127 Å²	127	136.1 Å²	136.1	83%	0.825	76%	0.755	S	S	*	*			trans	-82.5	158.4	161	32.8	-29.6	0	0	0	111
1187	A	26.7	Very low	28.3	Very low	99 Å²	99	135.8 Å²	135.8	82%	0.818	76%	0.76	S	S	*	*			trans	-129.2	148	-170.3	0	0	0	0	0	114
1188	S	27	Very low	28.3	Very low	129 Å²	129	136 Å²	136	90%	0.902	77%	0.769	S	S	*	*			trans	170.8	148.3	145.1	42.2	0	0	0	0	109.8
1189	G	25.8	Very low	28.3	Very low	66 Å²	66	138.4 Å²	138.4	68%	0.68	79%	0.791	S	S	*	*			cis	154.8	143.8	-9.9	0	0	0	0	0	111.7
1190	R	27.1	Very low	28.3	Very low	253 Å²	253	137.4 Å²	137.4	96%	0.955	79%	0.793	S	S	*	*			trans	71.3	153.7	179.4	-63.4	179.2	178.1	-178.8	-0.7	115.2
1191	S	25.1	Very low	27.5	Very low	88 Å²	88	138.7 Å²	138.7	62%	0.615	80%	0.797	S	S	*	*			cis	-173.9	126.2	-17.4	166.5	0	0	0	0	113.4
1192	I	29.2	Very low	27.4	Very low	137 Å²	137	136.7 Å²	136.7	70%	0.703	80%	0.798	S	S	*	*			trans	68.4	128.9	140.1	-64.6	176.6	0	0	0	120.8
1193	R	27.6	Very low	27.6	Very low	227 Å²	227	138.8 Å²	138.8	86%	0.857	81%	0.809	S	S	*	*			trans	60.4	107.7	156.7	-71.6	164.4	-168.3	175.5	2	120.1
1194	S	24.5	Very low	27.8	Very low	114 Å²	114	135.3 Å²	135.3	80%	0.797	81%	0.806	S	S	*	*				-81.1	139.8	123.6	46.7	0	0	0	0	110.4
1195	P	36.7	Very low	28.1	Very low	124 Å²	124	138.1 Å²	138.1	81%	0.805	82%	0.816	S	S	*	*			trans	-88.4	178.3	156.8	36.3	-31.5	0	0	0	110.9
1196	S	26.9	Very low	28.1	Very low	98 Å²	98	139.8 Å²	139.8	69%	0.685	82%	0.817	S	S	*	*			trans	-121.1	159.6	-166.6	58	0	0	0	0	114.1
1197	L	27.3	Very low	27.7	Very low	156 Å²	156	140.8 Å²	140.8	82%	0.817	82%	0.817	S	S	*	*			trans	75.1	144.4	156.7	-67.3	158	0	0	0	119.2
1198	S	25.9	Very low	27.8	Very low	103 Å²	103	144.3 Å²	144.3	72%	0.72	82%	0.817	S	S	*	*			trans	61.9	139.1	159.5	34.5	0	0	0	0	118.1
1199	D	30.3	Very low	27.8	Very low	236 Å²	236	145.6 Å²	145.6	100%	1.262	81%	0.809	S	S	*	*			cis	-116.1	0	0.3	-71.8	-52.7	0	0	0	112.2

Retrieved 1,199 of 1,199 residues in 3943.4 ms (Link to these results)

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