A0A096NGW3_PAPAN Loading...

Serrate RNA effector molecule homolog

Acts as a mediator between the cap-binding complex (CBC) and the primary microRNAs (miRNAs) processing machinery during cell proliferation. Contributes to the stability and delivery of capped primary miRNA transcripts to the primary miRNA processing complex containing DGCR8 and DROSHA, thereby playing a role in RNA-mediated gene silencing (RNAi) by miRNAs. Binds capped RNAs (m7GpppG-capped RNA); however interaction is probably mediated via its interaction with NCBP1/CBP80 component of the CBC complex. Involved in cell cycle progression at S phase. Does not directly confer arsenite resistance but rather modulates arsenic sensitivity. Independently of its activity on miRNAs, necessary and sufficient to promote neural stem cell self-renewal. Does so by directly binding SOX2 promoter and positively regulating its transcription.

AlphaFold DB (A0A2K5VDU6), UniProt , Accession A0A096NGW3, Species PAPAN (Papio anubis, Olive baboon), Gene SRRT, Length 876 aa.

						>A0A096NGW3_PAPAN|A0A096NGW3|SRRT
MGDSDDEYDRRRRDKFRRERSDYDRSRERDERRRGDDWNDREWDRGRERRSRGEYRDYDRNRRERFSPPRHELSPPQKRMRRDWDEHSSDPYHSGYEMPYAGGGGGPTYGPPQPWGHPDVHIMQHHVLPIQARLGSIAEIDLGVPPPVMKTFKEFLLSLDDSVDETEAVKRYNDYKLDFRRQQMQDFFLAHKDEEWFRSKYHPDEVGKRRQEARGGLQNRLRVFLSLMETGWFDNLLLDIDKADAIVKMLDAAVIKMEGGTENDLRILEQEEEEEQAGKPGEPGKKEEGRAGAGLGDGERKTNDKDEKKEDGKQSENDSSNDDKTKKSEGDGDKEEKKEDSEKEAKKSSKKRNRKHSGDDSFDEGSVSESESESESGQAEEEKEEAEEALKEKEKPKEEEWEKPKDAAGLECKPRPLHKTCSLFMRNIAPNISRAEIISLCKRYPGFMRVALSEPQPERRFFRRGWVTFDRSVNIKEICWNLQNIRLRECELSPGVNRDLTRRVRNINGITQHKQIVRNDIKLAAKLIHTLDDRTQLWASEPGTPPLPTSLPSQNPILKNITDYLIEEVSAEEEELLGSSGGAPPEEPPKEGNPAEINVERDEKLIKVLDKLLLYLRIVHSLDYYNTCEYPNEDEMPNRCGIIHVRGPMPPNRISHGEVLEWQKTFEEKLTPLLSVRESLSEEEAQKMGRKDPEQEVEKFVTSNTQELGKDKWLCPLSGKKFKGPEFVRKHIFNKHAEKIEEVKKEVAFFNNFLTDAKRPALPEIKPAQPPGPAQILPPGLTPGLPYPHQTPQGLMPYGQPRPPILGYGAGAVRPAVPTGGPPYPHAPYGAGRGNYDAFRGQGGYPGKPRNRMVRGDPRAIVEYRDLDAPDDVDFF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.7	Very low	35.1	Very low	239 Å²	239	160 Å²	160	100%	1.177	81%	0.809	S	S	*	*				0	124.9	0	-70.4	169.4	171	0	0	105
2	G	34.4	Very low	34.9	Very low	85 Å²	85	164.4 Å²	164.4	88%	0.876	81%	0.809	S	S	*	*			trans	-88.2	145.5	-166.6	0	0	0	0	0	112.8
3	D	34.4	Very low	34.7	Very low	159 Å²	159	166 Å²	166	85%	0.85	80%	0.8	S	S	*	*			trans	-87.5	145.5	-167.7	-73.9	-61	0	0	0	115.7
4	S	38.4	Very low	34.7	Very low	111 Å²	111	162.9 Å²	162.9	78%	0.776	79%	0.79	S	S	*	*			trans	48.8	128.7	136.5	-151.7	0	0	0	0	122.6
5	D	44.8	Very low	34.6	Very low	142 Å²	142	164.1 Å²	164.1	76%	0.759	79%	0.79	S	S	*	*			trans	-58	154.2	153.7	-59.2	-71.2	0	0	0	112.8
6	D	39.2	Very low	34.3	Very low	162 Å²	162	163.1 Å²	163.1	87%	0.866	78%	0.781	S	S	*	*				-176.2	162.4	105.6	-106	-24.4	0	0	0	115.6
7	E	36.8	Very low	34.4	Very low	157 Å²	157	164.7 Å²	164.7	73%	0.734	78%	0.777	S	S	*	*			trans	-75.7	179.5	-160.6	-154.6	178.1	-158.3	0	0	118.7
8	Y	30	Very low	34.4	Very low	181 Å²	181	167 Å²	167	71%	0.71	78%	0.777	S	S	*	*			trans	87.1	92.1	161.8	-82.6	-84.2	0	0	0	124.2
9	D	33.7	Very low	34.4	Very low	113 Å²	113	163.9 Å²	163.9	60%	0.604	76%	0.763	S	S	*	*				33.9	140.7	115.2	-156.8	16.1	0	0	0	123
10	R	29.2	Very low	34.1	Very low	181 Å²	181	165.2 Å²	165.2	68%	0.683	76%	0.761	S	S	*	*			trans	94.2	100.5	155.8	-49.2	-168.7	-177.4	139.5	19.6	123.2
11	R	29.8	Very low	33.9	Very low	230 Å²	230	161.7 Å²	161.7	87%	0.868	76%	0.755	S	S	*	*				63.1	130	120.3	-66.1	179	170.7	-174.7	-3.4	121.4
12	R	32	Very low	33.8	Very low	213 Å²	213	155.8 Å²	155.8	80%	0.804	73%	0.728	S	S	*	*			trans	119.2	144.8	145.3	-73.1	-169.1	175.5	-170.3	2.6	113.8
13	R	33.4	Very low	33.5	Very low	185 Å²	185	161.5 Å²	161.5	70%	0.698	73%	0.725	S	S	*	*			cis	-174.2	118.5	-11.9	163.9	176.3	-113	-173.1	-3.3	109.3
14	D	34.5	Very low	33.3	Very low	122 Å²	122	158.6 Å²	158.6	65%	0.652	71%	0.709	S	S	*	*				57.7	170.8	125.8	-158.9	7.2	0	0	0	119.9
15	K	32.9	Very low	32.7	Very low	182 Å²	182	162.8 Å²	162.8	79%	0.791	71%	0.708	S	S	*	*			trans	105.7	114.6	-178	-64.2	-171.6	-178.8	177.9	0	113.2
16	F	30.3	Very low	31.7	Very low	148 Å²	148	161.1 Å²	161.1	65%	0.649	71%	0.708	S	S	*	*			cis	-158.8	135.6	-2.7	-113.6	-77.4	0	0	0	111.1
17	R	35.8	Very low	31.3	Very low	190 Å²	190	164.6 Å²	164.6	72%	0.717	71%	0.709	S	S	*	*			trans	21.5	150.1	142	-60.2	178.8	167	72.8	1.5	120.6
18	R	33.9	Very low	30.7	Very low	206 Å²	206	165.7 Å²	165.7	78%	0.777	71%	0.713	S	S	*	*			cis	-148.8	161.5	36.3	-81.8	-175.3	80.5	158.6	4.5	108.9
19	E	33.6	Very low	30.5	Very low	109 Å²	109	167.7 Å²	167.7	51%	0.509	72%	0.72	S	S	.	*			cis	-151.6	151.2	-12.5	-109.5	-166.7	139	0	0	107.8
20	R	30	Very low	30.1	Very low	189 Å²	189	168.8 Å²	168.8	71%	0.713	73%	0.726	S	S	*	*				73.8	109.7	78.4	-148.3	179.4	-169.9	-168.5	0.4	113.7
21	S	29	Very low	30	Very low	92 Å²	92	166 Å²	166	64%	0.643	72%	0.721	S	S	*	*			cis	93.6	147.1	18.7	93.4	0	0	0	0	117.4
22	D	33.4	Very low	29.9	Very low	114 Å²	114	164 Å²	164	61%	0.61	71%	0.713	S	S	*	*			trans	103.6	108.5	159.1	-49.9	-17.4	0	0	0	115.7
23	Y	28.8	Very low	29.8	Very low	206 Å²	206	164.1 Å²	164.1	81%	0.808	71%	0.713	S	S	*	*				86.3	149.5	83.3	-86.6	-73.8	0	0	0	111.9
24	D	29.7	Very low	29.6	Very low	97 Å²	97	167 Å²	167	52%	0.519	72%	0.724	S	S	.	*			cis	-168.9	161.8	26.5	-145.4	-13.1	0	0	0	115.3
25	R	26	Very low	29.1	Very low	200 Å²	200	164.1 Å²	164.1	76%	0.755	72%	0.723	S	S	*	*			trans	45.7	128.7	142.9	-87.3	165.1	-176	124.4	-1.8	127
26	S	24.8	Very low	29	Very low	107 Å²	107	162.8 Å²	162.8	75%	0.748	73%	0.725	S	S	*	*				64.1	117.6	123.3	-63.9	0	0	0	0	124.6
27	R	29	Very low	29	Very low	235 Å²	235	161.1 Å²	161.1	89%	0.887	72%	0.723	S	S	*	*				-176.4	128.3	122.3	-101	164.9	173.9	165.6	-1.8	109.2
28	E	24.4	Very low	28.6	Very low	179 Å²	179	161.2 Å²	161.2	84%	0.836	72%	0.723	S	S	*	*				52.8	99.8	78.1	-79.6	-165.3	140.9	0	0	116.8
29	R	25.6	Very low	28.3	Very low	223 Å²	223	155.8 Å²	155.8	84%	0.842	71%	0.709	S	S	*	*			trans	45.1	110	130.2	-175.3	-172.9	-75.9	-131.8	-1.1	119.8
30	D	26.1	Very low	28.1	Very low	137 Å²	137	154 Å²	154	73%	0.733	70%	0.704	S	S	*	*				-169.3	121.3	115.1	-95.8	-22.3	0	0	0	108.1
31	E	26.2	Very low	28.1	Very low	123 Å²	123	150.9 Å²	150.9	58%	0.575	69%	0.692	S	S	*	*				60.1	118.9	83.5	-91.4	-144.4	116.3	0	0	117
32	R	28.2	Very low	28.1	Very low	186 Å²	186	148.8 Å²	148.8	70%	0.702	67%	0.672	S	S	*	*			trans	79.3	139.1	153.5	-59.2	160.1	-171.9	172.2	6.5	115.8
33	R	30.4	Very low	27.7	Very low	217 Å²	217	146.1 Å²	146.1	82%	0.819	65%	0.653	S	S	*	*			cis	-167.1	158.3	28.7	-139.5	163.9	-164.5	171.1	3.7	115.1
34	R	28.1	Very low	27.8	Very low	245 Å²	245	136.3 Å²	136.3	93%	0.925	62%	0.615	S	S	*	*			trans	96.8	118.6	167.6	-63.7	-174.4	169.5	118.9	-4.9	115.5
35	G	25.8	Very low	27.8	Very low	61 Å²	61	132.8 Å²	132.8	63%	0.629	59%	0.594	S	S	*	*			cis	-170.8	142.6	-9.1	0	0	0	0	0	107.9
36	D	30.9	Very low	28	Very low	154 Å²	154	123.2 Å²	123.2	82%	0.824	56%	0.558	S	S	*	*				59.5	125.9	69.5	-51.2	-38	0	0	0	110.5
37	D	30.3	Very low	28.2	Very low	114 Å²	114	118.1 Å²	118.1	61%	0.61	52%	0.523	S	S	*	.			cis	-163.8	158.7	4.8	-179.4	24.6	0	0	0	107.7
38	W	26	Very low	28.3	Very low	192 Å²	192	107.6 Å²	107.6	73%	0.727	48%	0.483	S	S	*	.				-175.7	148.2	119.2	-94.7	100.8	0	0	0	108.5	D406 A408	W38-D406 HydrophobicContact CB-CB 4.44Å; W38-A408 HydrophobicContact CE3-CB 4.3Å
39	N	27.8	Very low	28.5	Very low	91 Å²	91	101.9 Å²	101.9	49%	0.487	45%	0.454	S	S	.	.			trans	-123.8	173.4	-158.2	-174.5	28.8	0	0	0	110.8	A408	N39-A408 WeakPolarHBondContact O-CB 3.44Å
40	D	29.3	Very low	28.6	Very low	72 Å²	72	97 Å²	97	39%	0.385	44%	0.436	S	S	.	.			trans	95.8	136.9	133.5	-113.6	-14.3	0	0	0	119.5
41	R	30.8	Very low	28.6	Very low	124 Å²	124	93 Å²	93	47%	0.468	42%	0.419	S	S	.	.			trans	81.5	137.9	150.2	-69.5	-167	165.9	70.9	21.9	119.3	L410	R41-L410 CarbonylContact C-O 3.59Å
42	E	27.6	Very low	28.7	Very low	48 Å²	48	98.4 Å²	98.4	22%	0.224	43%	0.433	C	S	.	.			cis	-166	-165.2	-20.6	-135	-177.9	119.3	0	0	105.8	N263 E411 C412	E42-N263 WeakPolarHBondContact CG-ND2 3.29Å; E42-E411 HydrophobicContact CB-CB 3.74Å; E42-E411 HydrophobicContact CB-CG 3.68Å; E42-C412 CarbonylContact O-C 3.58Å; E42-C412 VanDerWaalsContact O-CA 3.23Å; E42-C412 WeakPolarHBondContact O-CA 3.22Å; E42-C412 WeakPolarHBondContact O-CB 3.5Å; E42-C412 PolarHBondContact O-N 3.4Å
43	W	26.9	Very low	28.6	Very low	58 Å²	58	92.4 Å²	92.4	22%	0.22	43%	0.43	C	S	.	.			trans	47.3	113.6	161.7	-64.4	35.4	0	0	0	119.6	R45 N263 E411 C412 K413	W43-R45 HydrophobicContact CE3-CG 4.5Å; W43-N263 PolarHBondContact N-ND2 3.29Å; W43-E411 HydrophobicContact CB-CB 4.1Å; W43-E411 VanDerWaalsContact CE2-OE1 3.28Å; W43-E411 HydrophobicContact CG-CB 4.15Å; W43-E411 HydrophobicContact CG-CG 4.45Å; W43-E411 PolarHBondContact NE1-OE1 2.88Å; W43-C412 CarbonylContact C-O 3.49Å; W43-C412 VanDerWaalsContact C-O 3.3Å; W43-C412 WeakPolarHBondContact CA-O 3.4Å; W43-C412 WeakPolarHBondContact CB-O 3.25Å; W43-C412 CarbonylContact O-C 3.3Å; W43-K413 CarbonylContact O-C 3.02Å; W43-K413 VanDerWaalsContact O-C 3.27Å
44	D	29.5	Very low	28.4	Very low	0 Å²	0	90.5 Å²	90.5	0%	0	43%	0.43	C	S	.	.			cis	78.9	114.1	43.5	-144.8	-18.6	0	0	0	113.5	E262 N263 D264 L265 R266 P414	D44-E262 VanDerWaalsContact OD2-O 3.14Å; D44-N263 WeakPolarHBondContact CA-O 3.46Å; D44-N263 VanDerWaalsContact CB-C 3.5Å; D44-N263 HydrophobicContact CB-CB 3.76Å; D44-N263 PolarHBondContact N-O 3.12Å; D44-N263 WeakPolarHBondContact OD2-CA 3.19Å; D44-D264 VanDerWaalsContact OD1-CA 3.27Å; D44-D264 WeakPolarHBondContact OD1-CA 3.27Å; D44-D264 PolarHBondContact OD1-N 3.07Å; D44-D264 VanDerWaalsContact OD1-N 3.15Å; D44-L265 PolarHBondContact OD1-N 3.46Å; D44-R266 PolarHBondContact OD1-N 2.84Å; D44-R266 WeakPolarHBondContact OD2-CB 3.48Å; D44-R266 WeakPolarHBondContact OD2-CG 3.23Å; D44-R266 IonicContact OD2-CZ 3.78Å; D44-R266 IonicContact OD2-NE 3.65Å; D44-R266 PolarHBondContact OD2-NE 2.74Å; D44-R266 IonicContact OD2-NH2 3.55Å; D44-R266 PolarHBondContact OD2-NH2 3.26Å; D44-P414 WeakPolarHBondContact O-CA 3.48Å; D44-P414 WeakPolarHBondContact O-CB 3.35Å; D44-P414 WeakPolarHBondContact O-CD 3.24Å; D44-P414 WeakPolarHBondContact O-CG 3.43Å
45	R	29.1	Very low	28.2	Very low	22 Å²	22	89.1 Å²	89.1	8%	0.083	43%	0.427	C	S	.	.				155.7	145.3	122.6	-75.5	-157.9	142.1	131.5	-6.2	110.7	W43 D264 R266 I267 E269 P414 R415	W43-R45 HydrophobicContact CE3-CG 4.5Å; R45-D264 CarbonylContact C-O 3.36Å; R45-D264 VanDerWaalsContact CA-O 3.28Å; R45-D264 WeakPolarHBondContact CA-O 3.28Å; R45-D264 PolarHBondContact N-O 3.13Å; R45-R266 VanDerWaalsContact CB-C 3.47Å; R45-R266 WeakPolarHBondContact CD-O 3.49Å; R45-R266 HydrophobicContact CG-CB 3.66Å; R45-R266 PolarHBondContact NE-O 3.29Å; R45-I267 VanDerWaalsContact CB-CA 3.42Å; R45-I267 HydrophobicContact CB-CB 3.47Å; R45-I267 VanDerWaalsContact CB-CB 3.47Å; R45-I267 HydrophobicContact CB-CD1 4.41Å; R45-I267 HydrophobicContact CB-CG1 3.06Å; R45-I267 HydrophobicContact CG-CG1 4.37Å; R45-I267 WeakPolarHBondContact O-CG1 3.43Å; R45-E269 IonicContact CZ-OE2 2.71Å; R45-E269 IonicContact NH2-OE2 2.78Å; R45-E269 PolarHBondContact NH2-OE2 3.31Å; R45-P414 HydrophobicContact CB-CB 3.7Å; R45-P414 HydrophobicContact CB-CG 3.89Å; R45-P414 WeakPolarHBondContact O-CB 3.47Å; R45-R415 CarbonylContact O-C 3.56Å
46	G	30.8	Very low	28.9	Very low	0 Å²	0	97.1 Å²	97.1	0%	0	44%	0.438	C	S	.	.			trans	-113	-111.1	-175.9	0	0	0	0	0	124.2	D264 I267 H418	G46-D264 PolarHBondContact N-O 3.04Å; G46-I267 VanDerWaalsContact N-CA 3.25Å; G46-I267 WeakPolarHBondContact O-CB 3.46Å; G46-H418 VanDerWaalsContact CA-CE1 3.43Å; G46-H418 WeakPolarHBondContact CA-CE1 3.4Å; G46-H418 PolarHBondContact O-CE1 2.69Å
47	R	29.5	Very low	28.7	Very low	0 Å²	0	95.9 Å²	95.9	0%	0	43%	0.431	C	S	.	.			trans	59.7	129.3	175.9	-126.3	178.6	-114.4	-89.8	5.8	124.7	I267 L268 E271 E272 H418 K419	R47-I267 HydrophobicContact CB-CG2 4.48Å; R47-I267 VanDerWaalsContact CB-O 3.28Å; R47-I267 WeakPolarHBondContact CB-O 3.25Å; R47-I267 WeakPolarHBondContact CD-O 3.48Å; R47-I267 PolarHBondContact NE-O 2.73Å; R47-L268 HydrophobicContact CB-CD2 4.01Å; R47-L268 HydrophobicContact CG-CD2 3.98Å; R47-L268 VanDerWaalsContact N-CD2 3.3Å; R47-L268 VanDerWaalsContact NE-C 3.26Å; R47-L268 VanDerWaalsContact NE-CA 3.28Å; R47-L268 PolarHBondContact NH2-O 3.3Å; R47-E271 HydrophobicContact CB-CB 3.99Å; R47-E271 HydrophobicContact CB-CG 3.56Å; R47-E271 VanDerWaalsContact CD-CA 3.48Å; R47-E271 HydrophobicContact CG-CB 4.19Å; R47-E271 HydrophobicContact CG-CG 4.3Å; R47-E271 VanDerWaalsContact O-OE2 3.06Å; R47-E272 VanDerWaalsContact CD-N 3.33Å; R47-E272 VanDerWaalsContact CZ-CB 3.46Å; R47-E272 IonicContact CZ-OE2 3.23Å; R47-E272 VanDerWaalsContact NE-N 3.12Å; R47-E272 IonicContact NH1-OE2 3.82Å; R47-E272 IonicContact NH2-OE2 3.84Å; R47-E272 PolarHBondContact NH2-OE2 2.72Å; R47-H418 VanDerWaalsContact CA-NE2 3.34Å; R47-H418 WeakPolarHBondContact CA-NE2 3.39Å; R47-H418 PolarHBondContact N-CE1 3.42Å; R47-H418 PolarHBondContact N-NE2 3.47Å; R47-H418 VanDerWaalsContact N-NE2 3.18Å; R47-H418 PolarHBondContact O-NE2 3.19Å; R47-K419 WeakPolarHBondContact O-CD 3.5Å; R47-K419 WeakPolarHBondContact O-CE 3.5Å; R47-K419 PolarHBondContact O-NZ 3.09Å
48	E	29.9	Very low	28.5	Very low	14 Å²	14	99.3 Å²	99.3	7%	0.065	44%	0.437	C	S	.	.				32.4	-178.7	123	-39.7	-180	84.5	0	0	123.5	V247 D251 H418 K419	E48-V247 HydrophobicContact CG-CG1 3.93Å; E48-V247 WeakPolarHBondContact OE1-CB 3.38Å; E48-V247 WeakPolarHBondContact OE1-CG1 3.46Å; E48-D251 WeakPolarHBondContact CG-OD2 3.37Å; E48-H418 PolarHBondContact N-NE2 2.71Å; E48-K419 WeakPolarHBondContact O-CE 3.44Å; E48-K419 PolarHBondContact O-NZ 3.27Å
49	R	29.2	Very low	28.7	Very low	58 Å²	58	96 Å²	96	22%	0.219	43%	0.433	C	S	.	.			cis	-157.2	162.2	1.6	-138.3	157.8	-155.4	-167.1	12.4	112.1	D244 E275	R49-D244 VanDerWaalsContact CZ-CG 3.44Å; R49-D244 IonicContact CZ-OD1 2.7Å; R49-D244 IonicContact CZ-OD2 3.93Å; R49-D244 IonicContact NE-OD1 3.59Å; R49-D244 IonicContact NH1-OD2 2.77Å; R49-D244 PolarHBondContact NH1-OD2 3.2Å; R49-D244 VanDerWaalsContact NH2-C 3.34Å; R49-D244 VanDerWaalsContact NH2-CA 3.32Å; R49-D244 VanDerWaalsContact NH2-CG 3.26Å; R49-D244 PolarHBondContact NH2-O 3.18Å; R49-D244 IonicContact NH2-OD1 3.41Å; R49-D244 IonicContact NH2-OD2 3.66Å; R49-E275 VanDerWaalsContact CB-OE1 3.26Å; R49-E275 WeakPolarHBondContact CB-OE1 3.15Å; R49-E275 WeakPolarHBondContact CD-OE1 3.32Å; R49-E275 WeakPolarHBondContact CD-OE2 3.43Å; R49-E275 IonicContact CZ-OE2 3.76Å; R49-E275 IonicContact NE-OE2 2.62Å; R49-E275 IonicContact NH1-OE2 3.49Å; R49-E275 PolarHBondContact NH1-OE2 3.15Å
50	R	27.6	Very low	28.6	Very low	122 Å²	122	103.6 Å²	103.6	46%	0.46	46%	0.455	S	S	.	.			trans	55.3	126.9	159.7	-69	140	-174	173	-2	118.9	D244 E275	R50-D244 IonicContact CZ-OD1 3.52Å; R50-D244 IonicContact CZ-OD2 3.29Å; R50-D244 IonicContact NH2-OD1 2.73Å; R50-D244 PolarHBondContact NH2-OD1 2.91Å; R50-D244 IonicContact NH2-OD2 3.9Å; R50-D244 PolarHBondContact NH2-OD2 3.15Å; R50-E275 WeakPolarHBondContact CD-OE1 3.37Å; R50-E275 IonicContact CZ-OE1 3.02Å; R50-E275 IonicContact CZ-OE2 2.73Å; R50-E275 IonicContact NE-OE1 3.54Å; R50-E275 IonicContact NH1-OE1 2.75Å; R50-E275 PolarHBondContact NH1-OE1 3.49Å; R50-E275 IonicContact NH1-OE2 3.68Å; R50-E275 PolarHBondContact NH1-OE2 3.14Å
51	S	26.8	Very low	28.5	Very low	53 Å²	53	107 Å²	107	37%	0.371	47%	0.473	S	S	.	.			cis	84.8	135.3	33.8	-156.4	0	0	0	0	115.7	T501	S51-T501 WeakPolarHBondContact CB-O 3.46Å; S51-T501 PolarHBondContact OG-O 3.19Å
52	R	28.6	Very low	28.3	Very low	235 Å²	235	112.6 Å²	112.6	89%	0.887	49%	0.494	S	S	*	.			trans	66.3	141.1	-180	-130.4	169.8	-176.4	164.8	-0.7	113.4
53	G	26.1	Very low	28.3	Very low	61 Å²	61	122.2 Å²	122.2	63%	0.629	53%	0.529	S	S	*	.			cis	169.7	161.5	-4.2	0	0	0	0	0	109.1
54	E	25.6	Very low	28.4	Very low	177 Å²	177	126.3 Å²	126.3	83%	0.827	55%	0.55	S	S	*	*			trans	62.1	120.7	155.6	-74.1	163.4	161.9	0	0	121.6
55	Y	24.7	Very low	28.5	Very low	216 Å²	216	135.2 Å²	135.2	85%	0.847	58%	0.584	S	S	*	*				65.9	127.1	130	-120.6	-105.8	0	0	0	121.9
56	R	39.8	Very low	28.4	Very low	228 Å²	228	142.8 Å²	142.8	86%	0.86	62%	0.618	S	S	*	*			trans	-71.7	150.7	163.7	-72.7	174.9	159	120.4	-6.1	110.3
57	D	26.3	Very low	28.5	Very low	129 Å²	129	148 Å²	148	69%	0.69	66%	0.655	S	S	*	*			trans	-175.8	142.8	140.3	-91.8	-18.9	0	0	0	106.6
58	Y	27.3	Very low	28.5	Very low	186 Å²	186	154 Å²	154	73%	0.729	69%	0.694	S	S	*	*			cis	-146.5	171.6	-0.3	-132.9	-86	0	0	0	109.8
59	D	30.1	Very low	28.7	Very low	121 Å²	121	159.6 Å²	159.6	65%	0.647	73%	0.731	S	S	*	*			trans	-32.9	149.4	174.2	-74	-101.3	0	0	0	120.5
60	R	25.7	Very low	29	Very low	252 Å²	252	168.5 Å²	168.5	95%	0.951	77%	0.765	S	S	*	*				-158.6	120.8	108.3	-109.4	177.7	-165.5	-164.6	5.9	115.4
61	N	26.2	Very low	29.2	Very low	142 Å²	142	170.6 Å²	170.6	76%	0.759	78%	0.779	S	S	*	*			trans	-83.5	133.5	169.9	-176.6	11.2	0	0	0	111.4
62	R	27.4	Very low	29.3	Very low	242 Å²	242	175.5 Å²	175.5	91%	0.913	80%	0.796	S	S	*	*			trans	179.5	115	146.9	-105.7	-178.9	-162.1	-157.7	4.8	112.8
63	R	27.2	Very low	29.3	Very low	250 Å²	250	172.9 Å²	172.9	94%	0.943	80%	0.799	S	S	*	*				-153.4	143.9	121	-131.7	172.7	-171	178.6	2.8	111.3
64	E	29.7	Very low	29.5	Very low	144 Å²	144	174.9 Å²	174.9	67%	0.673	80%	0.803	S	S	*	*			trans	-113.6	158.1	-175.4	-158.3	-170.5	-94.2	0	0	109.4
65	R	30.8	Very low	31	Very low	187 Å²	187	171.4 Å²	171.4	71%	0.706	80%	0.796	S	S	*	*			trans	98.2	118.3	153.7	-63.6	-159.6	179.4	-123.5	-19.2	122.7
66	F	27.8	Very low	31.7	Very low	181 Å²	181	167.2 Å²	167.2	79%	0.794	80%	0.795	S	S	*	*			trans	93.2	136.4	131	-90.4	-112.2	0	0	0	121.4
67	S	32.6	Very low	31.3	Very low	111 Å²	111	165.1 Å²	165.1	78%	0.776	80%	0.795	S	S	*	*			trans	-114.5	157.5	-173.2	-46.7	0	0	0	0	112.5
68	P	29.1	Very low	31.5	Very low	126 Å²	126	169.2 Å²	169.2	82%	0.818	81%	0.807	S	S	*	*			trans	-94.8	169.6	162.3	-7.9	28.5	0	0	0	114.2
69	P	33.6	Very low	31.8	Very low	131 Å²	131	172 Å²	172	85%	0.851	82%	0.816	S	S	*	*			trans	-112.3	177.8	-146	41.9	-37.4	0	0	0	118.1
70	R	36.3	Very low	31.8	Very low	245 Å²	245	175.5 Å²	175.5	93%	0.925	83%	0.831	S	S	*	*			trans	-124.1	140.5	168.4	-92.9	-171	175.3	-170.5	0.2	112
71	H	31.3	Very low	31.9	Very low	165 Å²	165	174.4 Å²	174.4	76%	0.764	83%	0.827	S	S	*	*			trans	-159.7	117.5	151	-121.9	44.4	0	0	0	107.2
72	E	29.2	Very low	32.2	Very low	156 Å²	156	178.1 Å²	178.1	73%	0.729	83%	0.83	S	S	*	*				85.7	122.3	70.7	-80.6	-152.5	-142.2	0	0	114.9
73	L	28.4	Very low	32.2	Very low	181 Å²	181	171.8 Å²	171.8	95%	0.948	82%	0.815	S	S	*	*			trans	-167.8	142.4	151.8	-101.8	162.4	0	0	0	108.7
74	S	30.7	Very low	32.2	Very low	102 Å²	102	170.2 Å²	170.2	71%	0.713	81%	0.809	S	S	*	*			trans	-169.1	171.9	-164.4	-161.4	0	0	0	0	109.1
75	P	57.3	Low	32.3	Very low	105 Å²	105	170.8 Å²	170.8	68%	0.682	82%	0.816	S	S	*	*			cis	-122.8	-158.2	-34	31.3	-9.1	0	0	0	110.7
76	P	39.6	Very low	32.1	Very low	128 Å²	128	168 Å²	168	83%	0.831	81%	0.812	S	S	*	*				-146.2	169.4	85.5	37.2	-18.4	0	0	0	116.6
77	Q	31.3	Very low	32.2	Very low	184 Å²	184	167.6 Å²	167.6	86%	0.86	81%	0.811	S	S	*	*			trans	-83.9	158.8	-173.5	-53.8	160.5	-54.1	0	0	114.3
78	K	30.2	Very low	31.9	Very low	214 Å²	214	167.4 Å²	167.4	93%	0.93	81%	0.81	S	S	*	*			trans	-135.9	159.3	144.3	-91.7	-171.2	-179.6	175.4	0	111.9
79	R	32.3	Very low	31.9	Very low	244 Å²	244	166.8 Å²	166.8	92%	0.921	81%	0.809	S	S	*	*			trans	-94.1	163.9	-152.1	-62.9	171.4	175.7	158.8	-3.6	114.7
80	M	31.8	Very low	31.8	Very low	195 Å²	195	167.9 Å²	167.9	96%	0.961	81%	0.808	S	S	*	*			trans	-54.1	148.8	162.6	-82	-173.4	151.2	0	0	113.4
81	R	27.3	Very low	32.1	Very low	230 Å²	230	160.4 Å²	160.4	87%	0.868	79%	0.791	S	S	*	*			trans	-151	146.7	133.1	-135	177.7	-171.9	-121.4	2.4	112	D83	R81-D83 IonicContact NH1-OD2 3.97Å
82	R	31.5	Very low	32	Very low	220 Å²	220	163 Å²	163	83%	0.83	80%	0.795	S	S	*	*			trans	-92.4	153.7	167.1	-171.6	-176.4	-160	175.5	3.8	107.6
83	D	28	Very low	32.2	Very low	109 Å²	109	163.8 Å²	163.8	58%	0.583	80%	0.799	S	S	*	*			trans	154.9	159.5	139.2	-72.7	-20.9	0	0	0	111.7	R81	R81-D83 IonicContact NH1-OD2 3.97Å
84	W	27.4	Very low	32.2	Very low	216 Å²	216	160.7 Å²	160.7	82%	0.818	79%	0.792	S	S	*	*			trans	81.4	93.2	169.6	-62.7	97	0	0	0	119.4
85	D	31.6	Very low	32.2	Very low	157 Å²	157	158.7 Å²	158.7	84%	0.84	79%	0.788	S	S	*	*			trans	-51.4	-175.5	137.1	-137.4	-50.4	0	0	0	112.6
86	E	26.4	Very low	31	Very low	129 Å²	129	163.9 Å²	163.9	60%	0.603	80%	0.795	S	S	*	*			trans	83	88.5	166.3	-147.1	168.2	-153.4	0	0	117.2
87	H	30.1	Very low	30.4	Very low	171 Å²	171	165.8 Å²	165.8	79%	0.792	79%	0.793	S	S	*	*				-179.2	104.8	105.6	-92.1	-62.8	0	0	0	112
88	S	27.1	Very low	30.2	Very low	108 Å²	108	165 Å²	165	76%	0.755	79%	0.792	S	S	*	*			trans	-81.8	163.8	155.4	-173.2	0	0	0	0	109.9
89	S	29.6	Very low	31.3	Very low	112 Å²	112	159 Å²	159	78%	0.783	77%	0.774	S	S	*	*			trans	91.4	113.2	172.2	-33.8	0	0	0	0	117.3
90	D	29.6	Very low	31.2	Very low	155 Å²	155	158 Å²	158	83%	0.829	77%	0.772	S	S	*	*				-155.9	168	121.4	-137.7	25.3	0	0	0	109.4
91	P	42.7	Very low	31.3	Very low	88 Å²	88	152.8 Å²	152.8	57%	0.571	76%	0.76	S	S	*	*				-135	-167.9	-97.2	42.8	-24.7	0	0	0	114.7
92	Y	31	Very low	31.3	Very low	219 Å²	219	145.4 Å²	145.4	86%	0.859	76%	0.756	S	S	*	*			trans	80.1	136.2	-176	-71.1	-97.4	0	0	0	116.6
93	H	31.5	Very low	31.3	Very low	173 Å²	173	139.2 Å²	139.2	80%	0.801	76%	0.76	S	S	*	*			cis	-166.4	158.8	-28.6	-162.5	59.8	0	0	0	108.7
94	S	30.1	Very low	31.4	Very low	115 Å²	115	137.8 Å²	137.8	80%	0.804	77%	0.771	S	S	*	*			trans	72.3	125.1	171.2	-155.6	0	0	0	0	117.3
95	G	28.9	Very low	31.5	Very low	60 Å²	60	131.8 Å²	131.8	62%	0.619	78%	0.776	S	S	*	*			cis	157.7	126.3	-9.9	0	0	0	0	0	114.4
96	Y	32.3	Very low	31.3	Very low	215 Å²	215	127.8 Å²	127.8	84%	0.843	77%	0.772	S	S	*	*			trans	64.4	145.7	153.1	-84.9	-109.6	0	0	0	119
97	E	26.6	Very low	32.6	Very low	168 Å²	168	127.4 Å²	127.4	79%	0.785	78%	0.781	S	S	*	*			cis	-152.5	172.3	9.1	-161.9	155.9	-162.5	0	0	113.6
98	M	28.5	Very low	32.6	Very low	168 Å²	168	125.3 Å²	125.3	83%	0.828	78%	0.78	S	S	*	*			trans	-90.7	-156.7	-176.4	-107.8	-103.1	-81	0	0	112.6
99	P	51.9	Low	32.9	Very low	88 Å²	88	131.2 Å²	131.2	57%	0.571	79%	0.788	S	S	*	*			cis	-133.9	166.6	-30.4	27	-6.6	0	0	0	115.8
100	Y	31.6	Very low	32.9	Very low	222 Å²	222	129.2 Å²	129.2	87%	0.871	79%	0.785	S	S	*	*				-176.7	159.6	113.1	-128.5	-100.5	0	0	0	116.4
101	A	33.3	Very low	33.1	Very low	86 Å²	86	127.8 Å²	127.8	71%	0.711	78%	0.784	S	S	*	*			trans	-72.8	174.3	177.2	0	0	0	0	0	113.8
102	G	28.5	Very low	33.5	Very low	75 Å²	75	128.6 Å²	128.6	77%	0.773	79%	0.789	S	S	*	*			cis	132.2	124.6	2.3	0	0	0	0	0	112.7
103	G	30.5	Very low	33.5	Very low	89 Å²	89	125.7 Å²	125.7	92%	0.918	78%	0.784	S	S	*	*			trans	87	153.2	177.5	0	0	0	0	0	115.8
104	G	29.9	Very low	33.9	Very low	80 Å²	80	123.2 Å²	123.2	83%	0.825	78%	0.783	S	S	*	*			cis	158.4	139.1	-8.3	0	0	0	0	0	114
105	G	29.3	Very low	33.8	Very low	89 Å²	89	128.9 Å²	128.9	92%	0.918	79%	0.787	S	S	*	*			trans	85.4	150.4	169.5	0	0	0	0	0	116.5
106	G	28.7	Very low	33.6	Very low	74 Å²	74	129.8 Å²	129.8	76%	0.763	80%	0.796	S	S	*	*			cis	-174.3	-147.1	5.2	0	0	0	0	0	113.6
107	P	53.4	Low	33.3	Very low	121 Å²	121	127.4 Å²	127.4	79%	0.786	79%	0.792	S	S	*	*				-139.1	-169	-107.7	40.9	-23.1	0	0	0	116.1
108	T	30	Very low	33.8	Very low	126 Å²	126	124.3 Å²	124.3	77%	0.773	79%	0.786	S	S	*	*			trans	144.9	145.4	152.3	50.3	0	0	0	0	111.1
109	Y	33.2	Very low	33.8	Very low	232 Å²	232	122.3 Å²	122.3	91%	0.91	78%	0.779	S	S	*	*			cis	-162.4	154.6	-8.1	-136.5	-102.8	0	0	0	110.2
110	G	28.6	Very low	32.6	Very low	70 Å²	70	125.2 Å²	125.2	72%	0.722	80%	0.795	S	S	*	*			trans	130.4	123.2	160.5	0	0	0	0	0	119.5
111	P	35.4	Very low	32.3	Very low	125 Å²	125	122.5 Å²	122.5	81%	0.812	79%	0.79	S	S	*	*			trans	-125.3	-158	-171.2	49.5	-35.5	0	0	0	115
112	P	49.8	Very low	32	Very low	106 Å²	106	126.8 Å²	126.8	69%	0.688	80%	0.799	S	S	*	*				-139.3	-167.7	-109.8	37	-11.8	0	0	0	119
113	Q	32	Very low	31.8	Very low	158 Å²	158	130.9 Å²	130.9	74%	0.738	80%	0.8	S	S	*	*			trans	86.8	157.4	160.4	-63	-57.9	-45.5	0	0	119.3
114	P	39.2	Very low	31.8	Very low	120 Å²	120	135.3 Å²	135.3	78%	0.779	80%	0.797	S	S	*	*			cis	-131.2	173.7	13.4	42.1	-25	0	0	0	119.2
115	W	28.6	Very low	31.6	Very low	234 Å²	234	139 Å²	139	89%	0.886	79%	0.792	S	S	*	*			trans	-97.7	159	172.4	-101.1	10.8	0	0	0	114
116	G	24.6	Very low	31.4	Very low	79 Å²	79	143.5 Å²	143.5	81%	0.814	79%	0.789	S	S	*	*			trans	-175	119.2	167.1	0	0	0	0	0	114.6
117	H	25.7	Very low	31.4	Very low	166 Å²	166	146.2 Å²	146.2	77%	0.769	79%	0.79	S	S	*	*			trans	-87.3	-171.8	-177.2	-99.9	-89.6	0	0	0	113.5
118	P	38.1	Very low	30.3	Very low	102 Å²	102	147.7 Å²	147.7	66%	0.662	79%	0.791	S	S	*	*			cis	-136.8	173.8	-27.9	32.9	-12.4	0	0	0	116.5
119	D	27.2	Very low	30.4	Very low	127 Å²	127	146.4 Å²	146.4	68%	0.679	79%	0.785	S	S	*	*			trans	30.7	128.3	150.8	-66.6	-52.3	0	0	0	125.2
120	V	26.6	Very low	30.4	Very low	148 Å²	148	143.1 Å²	143.1	90%	0.897	78%	0.781	S	S	*	*				-164.3	154.7	105.1	-93.6	0	0	0	0	112.4
121	H	25.5	Very low	30.8	Very low	165 Å²	165	147.4 Å²	147.4	76%	0.764	78%	0.782	S	S	*	*			trans	-88.1	157.8	-167	-48.3	-38.3	0	0	0	116.6
122	I	27.1	Very low	30.6	Very low	176 Å²	176	146.3 Å²	146.3	90%	0.903	78%	0.784	S	S	*	*			trans	-154.6	153.9	139.7	-104.7	154.9	0	0	0	110.4
123	M	25.3	Very low	29.7	Very low	161 Å²	161	152.5 Å²	152.5	79%	0.793	79%	0.794	S	S	*	*			trans	-65.9	143.6	-162.3	-59.3	159.5	69.9	0	0	115.7
124	Q	29.4	Very low	29.8	Very low	182 Å²	182	152.4 Å²	152.4	85%	0.85	80%	0.798	S	S	*	*			trans	-138.9	131.9	155.9	-153.9	169.2	15.6	0	0	111.4
125	H	25.7	Very low	29.3	Very low	158 Å²	158	150 Å²	150	73%	0.731	79%	0.794	S	S	*	*			trans	-72.5	134.6	-167.7	-73	-108	0	0	0	113.3	V127	H125-V127 PolarHBondContact O-N 2.96Å; H125-V127 VanDerWaalsContact O-N 3.12Å
126	H	26	Very low	29.3	Very low	183 Å²	183	144.1 Å²	144.1	85%	0.847	79%	0.789	S	S	*	*			trans	-75.3	97	169.2	-42.5	-47.2	0	0	0	109.9	L128	H126-L128 PolarHBondContact O-N 2.96Å
127	V	27.3	Very low	29.8	Very low	131 Å²	131	148.8 Å²	148.8	79%	0.794	79%	0.793	S	S	*	*			trans	-80.8	102	170.3	179.7	0	0	0	0	108.5	H125	H125-V127 PolarHBondContact O-N 2.96Å; H125-V127 VanDerWaalsContact O-N 3.12Å
128	L	30.5	Very low	30.2	Very low	153 Å²	153	143.6 Å²	143.6	80%	0.801	78%	0.779	S	S	*	*			trans	-64.8	129.5	168.2	-70.9	165.2	0	0	0	109.5	H126	H126-L128 PolarHBondContact O-N 2.96Å
129	P	33.5	Very low	30	Very low	99 Å²	99	147.9 Å²	147.9	64%	0.643	79%	0.79	S	S	*	*			trans	-67.1	149.8	176	26.6	-32.9	0	0	0	111.9	Q131	P129-Q131 VanDerWaalsContact C-N 3.26Å; P129-Q131 PolarHBondContact O-N 2.72Å
130	I	33.2	Very low	30.5	Very low	163 Å²	163	148.7 Å²	148.7	84%	0.836	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	69.8	-170.5	-52.7	169.6	0	0	0	110.5
131	Q	35.9	Very low	31	Very low	159 Å²	159	148.9 Å²	148.9	74%	0.743	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	-21	166.5	-84.1	176.5	-55.9	0	0	112.8	P129 R133	P129-Q131 VanDerWaalsContact C-N 3.26Å; P129-Q131 PolarHBondContact O-N 2.72Å; Q131-R133 PolarHBondContact O-N 3.15Å
132	A	32.1	Very low	31.7	Very low	102 Å²	102	148.3 Å²	148.3	84%	0.843	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	32.9	-178	0	0	0	0	0	115.3
133	R	30.8	Very low	32.5	Very low	236 Å²	236	142.5 Å²	142.5	89%	0.891	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.5	3.7	174.8	-99.1	-173.2	-179.3	166.3	2	115.4	Q131	Q131-R133 PolarHBondContact O-N 3.15Å
134	L	32.5	Very low	33.4	Very low	157 Å²	157	141.3 Å²	141.3	82%	0.822	78%	0.776	S	S	*	*	S	Bend	trans	-91.2	127.5	159.3	-74.1	163.5	0	0	0	107.2
135	G	28.7	Very low	34.5	Very low	68 Å²	68	137.7 Å²	137.7	70%	0.701	77%	0.768	S	S	*	*			trans	-56.9	143	174.8	0	0	0	0	0	110.4	I137	G135-I137 PolarHBondContact O-N 3.38Å
136	S	29.7	Very low	36.1	Very low	111 Å²	111	134.2 Å²	134.2	78%	0.776	76%	0.759	S	S	*	*			trans	-51.8	101.7	-171	-160.3	0	0	0	0	112.7	A138	S136-A138 PolarHBondContact O-N 2.89Å; S136-A138 VanDerWaalsContact OG-CB 3.29Å; S136-A138 WeakPolarHBondContact OG-CB 3.48Å
137	I	35.8	Very low	37.9	Very low	178 Å²	178	129.6 Å²	129.6	91%	0.913	75%	0.746	S	S	*	*			trans	-78.7	77.3	153.9	-65.6	175	0	0	0	105.1	G135	G135-I137 PolarHBondContact O-N 3.38Å
138	A	33	Very low	40.2	Very low	57 Å²	57	129.6 Å²	129.6	47%	0.471	75%	0.746	S	S	.	*			trans	-109.9	121.3	166.5	0	0	0	0	0	107.1	S136 I140	S136-A138 PolarHBondContact O-N 2.89Å; S136-A138 VanDerWaalsContact OG-CB 3.29Å; S136-A138 WeakPolarHBondContact OG-CB 3.48Å; A138-I140 PolarHBondContact O-N 3.32Å
139	E	34.7	Very low	42.6	Very low	191 Å²	191	125.1 Å²	125.1	89%	0.893	72%	0.721	S	S	*	*			trans	56	62.5	146.8	-60.9	169.6	-174.2	0	0	115.6
140	I	38.2	Very low	45	Very low	144 Å²	144	124.4 Å²	124.4	74%	0.738	71%	0.708	S	S	*	*			trans	-76.2	127.5	143.1	-63.3	173.9	0	0	0	106	A138 L142	A138-I140 PolarHBondContact O-N 3.32Å; I140-L142 PolarHBondContact O-N 3.49Å
141	D	36.4	Very low	47.5	Very low	152 Å²	152	120 Å²	120	81%	0.813	69%	0.689	S	S	*	*			trans	-41.8	117.4	-175.7	-171.7	17.6	0	0	0	112.3	G143	D141-G143 VanDerWaalsContact C-N 3.25Å; D141-G143 PolarHBondContact O-N 3.28Å
142	L	40.3	Very low	49.9	Very low	154 Å²	154	116.1 Å²	116.1	81%	0.806	67%	0.67	S	S	*	*			trans	-81	78.9	-179.7	-87.1	165	0	0	0	108.7	I140	I140-L142 PolarHBondContact O-N 3.49Å
143	G	44.3	Very low	52.4	Low	53 Å²	53	118.8 Å²	118.8	55%	0.546	66%	0.662	S	S	.	*			trans	-48.5	148.4	160.3	0	0	0	0	0	110.8	D141	D141-G143 VanDerWaalsContact C-N 3.25Å; D141-G143 PolarHBondContact O-N 3.28Å
144	V	43.8	Very low	55	Low	137 Å²	137	112.5 Å²	112.5	83%	0.83	64%	0.643	S	S	*	*			trans	-44	127.2	-174	-176.9	0	0	0	0	110.3
145	P	52.8	Low	57.6	Low	106 Å²	106	106 Å²	106	69%	0.688	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-56	137.4	-179.9	23.3	-33.6	0	0	0	109.3
146	P	59.3	Low	60.2	Low	84 Å²	84	106.2 Å²	106.2	55%	0.545	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-56	137.8	-174.4	23.1	-33.6	0	0	0	109.6	V148 L762	P146-V148 PolarHBondContact O-N 3.45Å; P146-L762 HydrophobicContact CG-CD1 4.46Å
147	P	62.5	Low	62.8	Low	87 Å²	87	107.6 Å²	107.6	57%	0.565	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-56.3	132.4	-175.6	23.2	-33.4	0	0	0	109.5	F179	P147-F179 HydrophobicContact CB-CE2 4.27Å; P147-F179 VanDerWaalsContact O-CZ 3.29Å; P147-F179 WeakPolarHBondContact O-CZ 3.46Å
148	V	75.9	Confident	65	Low	131 Å²	131	102.2 Å²	102.2	79%	0.794	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-95.1	140.1	177.3	-177.8	0	0	0	0	108.3	P146 K150	P146-V148 PolarHBondContact O-N 3.45Å; V148-K150 PolarHBondContact O-N 3Å
149	M	81.9	Confident	67.4	Low	59 Å²	59	101.3 Å²	101.3	29%	0.291	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-61.9	122.8	177.2	-173.4	-178.3	-74.4	0	0	108.9	T151 Y175 K176 F179 R180	M149-T151 PolarHBondContact O-N 3.03Å; M149-Y175 HydrophobicContact CG-CE1 4.17Å; M149-K176 HydrophobicContact CE-CG 4.44Å; M149-K176 HydrophobicContact SD-CD 4.35Å; M149-K176 HydrophobicContact SD-CG 3.87Å; M149-F179 HydrophobicContact CB-CD1 3.9Å; M149-F179 HydrophobicContact CB-CD2 4.46Å; M149-F179 HydrophobicContact CB-CE1 3.64Å; M149-F179 HydrophobicContact CB-CE2 4.22Å; M149-F179 HydrophobicContact CB-CG 4.31Å; M149-F179 HydrophobicContact CB-CZ 3.82Å; M149-F179 HydrophobicContact CE-CB 4.45Å; M149-F179 HydrophobicContact CE-CD1 3.43Å; M149-F179 VanDerWaalsContact CE-CD1 3.43Å; M149-F179 HydrophobicContact CE-CE1 4.03Å; M149-F179 HydrophobicContact CE-CG 4.19Å; M149-F179 HydrophobicContact CG-CD1 4.06Å; M149-F179 HydrophobicContact CG-CE1 4.32Å; M149-F179 HydrophobicContact CG-CG 4.24Å; M149-R180 HydrophobicContact CE-CG 4.18Å
150	K	82.9	Confident	69.7	Low	83 Å²	83	97.5 Å²	97.5	36%	0.361	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-57.3	134.1	172.4	-70.1	179	174	-175.9	0	108.9	V148 E154 F155 S158 Y175	V148-K150 PolarHBondContact O-N 3Å; K150-E154 HydrophobicContact CB-CB 4.2Å; K150-F155 HydrophobicContact CB-CB 4.47Å; K150-S158 PolarHBondContact NZ-OG 2.92Å; K150-Y175 HydrophobicContact CB-CE1 3.89Å; K150-Y175 WeakPolarHBondContact CB-OH 3.49Å; K150-Y175 WeakPolarHBondContact CG-OH 3.29Å; K150-Y175 PolarHBondContact N-OH 3.41Å
151	T	87.1	Confident	71.5	Confident	72 Å²	72	98.9 Å²	98.9	44%	0.442	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-64.2	159.8	167.6	63.2	0	0	0	0	110.3	M149 K153 E154 F155	M149-T151 PolarHBondContact O-N 3.03Å; T151-K153 PolarHBondContact O-N 3.38Å; T151-E154 WeakPolarHBondContact CB-OE2 3.37Å; T151-E154 WeakPolarHBondContact CG2-OE2 3.42Å; T151-E154 PolarHBondContact N-OE2 3.04Å; T151-E154 PolarHBondContact O-N 3.42Å; T151-E154 WeakPolarHBondContact OG1-CG 3.48Å; T151-E154 PolarHBondContact OG1-N 2.89Å; T151-E154 PolarHBondContact OG1-OE2 3.18Å; T151-F155 PolarHBondContact O-N 3.32Å
152	F	84.5	Confident	73.6	Confident	77 Å²	77	95.9 Å²	95.9	34%	0.338	54%	0.542	S	S	.	.	H	α-helix	trans	-54.7	-39.8	178.5	-175.3	-132.9	0	0	0	111.8	F155 L156 V169 Y172	F152-F155 PolarHBondContact O-N 3.12Å; F152-L156 HydrophobicContact CD1-CD1 4.04Å; F152-L156 HydrophobicContact CD2-CD1 4.49Å; F152-L156 HydrophobicContact CD2-CG 4.18Å; F152-L156 HydrophobicContact CE1-CD1 3.75Å; F152-L156 HydrophobicContact CE1-CG 4.36Å; F152-L156 HydrophobicContact CE2-CD1 4.24Å; F152-L156 HydrophobicContact CE2-CD2 3.91Å; F152-L156 HydrophobicContact CE2-CG 3.95Å; F152-L156 HydrophobicContact CG-CD1 4.41Å; F152-L156 HydrophobicContact CZ-CD1 3.87Å; F152-L156 HydrophobicContact CZ-CD2 3.95Å; F152-L156 HydrophobicContact CZ-CG 4.05Å; F152-L156 WeakPolarHBondContact O-CB 3.37Å; F152-L156 VanDerWaalsContact O-CG 3.29Å; F152-L156 WeakPolarHBondContact O-CG 3.31Å; F152-L156 PolarHBondContact O-N 3.48Å; F152-V169 HydrophobicContact CE2-CG2 4.49Å; F152-V169 HydrophobicContact CZ-CG2 3.94Å; F152-Y172 VanDerWaalsContact CA-CZ 3.5Å; F152-Y172 HydrophobicContact CB-CD1 4.17Å; F152-Y172 HydrophobicContact CB-CE1 3.63Å; F152-Y172 HydrophobicContact CB-CE2 4.21Å; F152-Y172 AromaticContact CD2-CD1 3.34Å; F152-Y172 HydrophobicContact CD2-CD1 3.34Å; F152-Y172 AromaticContact CD2-CD2 3.94Å; F152-Y172 HydrophobicContact CD2-CD2 3.94Å; F152-Y172 AromaticContact CD2-CE1 3.76Å; F152-Y172 HydrophobicContact CD2-CE1 3.76Å; F152-Y172 HydrophobicContact CD2-CE2 4.32Å; F152-Y172 AromaticContact CD2-CG 3.42Å; F152-Y172 HydrophobicContact CD2-CG 3.42Å; F152-Y172 VanDerWaalsContact CD2-CG 3.42Å; F152-Y172 AromaticContact CE2-CD1 3.99Å; F152-Y172 HydrophobicContact CE2-CD1 3.99Å; F152-Y172 AromaticContact CE2-CG 3.99Å; F152-Y172 HydrophobicContact CE2-CG 3.99Å; F152-Y172 HydrophobicContact CG-CD1 4.03Å; F152-Y172 AromaticContact CG-CE1 3.99Å; F152-Y172 HydrophobicContact CG-CE1 3.99Å; F152-Y172 HydrophobicContact CG-CG 4.43Å; F152-Y172 PolarHBondContact N-OH 3.08Å; F152-Y172 VanDerWaalsContact N-OH 3.09Å
153	K	85.3	Confident	75.6	Confident	157 Å²	157	89.8 Å²	89.8	68%	0.683	51%	0.511	S	S	*	.	H	α-helix	trans	-60.2	-46.4	175.6	-174.6	-179.6	178.3	-176.9	0	112.7	T151 F155 L157	T151-K153 PolarHBondContact O-N 3.38Å; K153-F155 VanDerWaalsContact C-N 3.32Å; K153-L157 VanDerWaalsContact O-CG 3.31Å; K153-L157 WeakPolarHBondContact O-CG 3.29Å; K153-L157 PolarHBondContact O-N 3.27Å; K153-L157 VanDerWaalsContact O-N 3.16Å
154	E	85.8	Confident	77.6	Confident	105 Å²	105	93 Å²	93	49%	0.491	52%	0.515	S	S	.	.	H	α-helix	trans	-72	-28	178.7	-67.7	157.8	149.4	0	0	112.5	K150 T151 S158	K150-E154 HydrophobicContact CB-CB 4.2Å; T151-E154 WeakPolarHBondContact CB-OE2 3.37Å; T151-E154 WeakPolarHBondContact CG2-OE2 3.42Å; T151-E154 PolarHBondContact N-OE2 3.04Å; T151-E154 PolarHBondContact O-N 3.42Å; T151-E154 WeakPolarHBondContact OG1-CG 3.48Å; T151-E154 PolarHBondContact OG1-N 2.89Å; T151-E154 PolarHBondContact OG1-OE2 3.18Å; E154-S158 PolarHBondContact O-OG 2.75Å
155	F	86.4	Confident	79.5	Confident	21 Å²	21	94.3 Å²	94.3	9%	0.092	51%	0.513	C	S	.	.	H	α-helix	trans	-69.8	-48.2	173.1	-176.8	-100.7	0	0	0	111.4	K150 T151 F152 K153 L157 S158 L159 R171 Y172 Y175	K150-F155 HydrophobicContact CB-CB 4.47Å; T151-F155 PolarHBondContact O-N 3.32Å; F152-F155 PolarHBondContact O-N 3.12Å; K153-F155 VanDerWaalsContact C-N 3.32Å; F155-L157 VanDerWaalsContact C-N 3.31Å; F155-L157 PolarHBondContact O-N 2.79Å; F155-S158 CarbonylContact O-C 3.41Å; F155-S158 WeakPolarHBondContact O-CA 3.18Å; F155-S158 PolarHBondContact O-N 3.1Å; F155-S158 PolarHBondContact O-OG 3.33Å; F155-L159 HydrophobicContact CD1-CD1 4.14Å; F155-L159 HydrophobicContact CD1-CG 4.4Å; F155-L159 HydrophobicContact CE1-CD1 3.78Å; F155-L159 HydrophobicContact CE1-CD2 4.17Å; F155-L159 HydrophobicContact CE1-CG 4.12Å; F155-L159 HydrophobicContact CZ-CD2 4.2Å; F155-L159 PolarHBondContact O-N 2.74Å; F155-R171 HydrophobicContact CE1-CB 4.08Å; F155-R171 HydrophobicContact CZ-CB 4.08Å; F155-R171 WeakPolarHBondContact CZ-O 3.24Å; F155-Y172 HydrophobicContact CB-CD2 3.71Å; F155-Y172 HydrophobicContact CB-CE2 3.98Å; F155-Y172 AromaticContact CD1-CD2 3.62Å; F155-Y172 HydrophobicContact CD1-CD2 3.62Å; F155-Y172 HydrophobicContact CD1-CG 4.08Å; F155-Y172 HydrophobicContact CD2-CD2 4.23Å; F155-Y172 VanDerWaalsContact CE1-CA 3.49Å; F155-Y172 HydrophobicContact CE1-CD2 4.26Å; F155-Y172 HydrophobicContact CE1-CG 4.49Å; F155-Y172 AromaticContact CG-CD2 3.59Å; F155-Y172 HydrophobicContact CG-CD2 3.59Å; F155-Y172 HydrophobicContact CG-CE2 4.31Å; F155-Y172 HydrophobicContact CG-CG 4.48Å; F155-Y175 AromaticContact CD2-CD1 3.68Å; F155-Y175 HydrophobicContact CD2-CD1 3.68Å; F155-Y175 HydrophobicContact CD2-CD2 4.19Å; F155-Y175 HydrophobicContact CD2-CE1 4.18Å; F155-Y175 AromaticContact CD2-CG 3.69Å; F155-Y175 HydrophobicContact CD2-CG 3.69Å; F155-Y175 VanDerWaalsContact CE2-CB 3.45Å; F155-Y175 AromaticContact CE2-CD1 3.94Å; F155-Y175 HydrophobicContact CE2-CD1 3.94Å; F155-Y175 AromaticContact CE2-CD2 3.93Å; F155-Y175 HydrophobicContact CE2-CD2 3.93Å; F155-Y175 AromaticContact CE2-CG 3.47Å; F155-Y175 HydrophobicContact CE2-CG 3.47Å; F155-Y175 VanDerWaalsContact CE2-CG 3.47Å; F155-Y175 HydrophobicContact CG-CD1 4.37Å; F155-Y175 HydrophobicContact CZ-CG 4.31Å
156	L	83.9	Confident	81	Confident	72 Å²	72	94.9 Å²	94.9	38%	0.377	51%	0.514	S	S	.	.	H	α-helix	trans	-55.6	-43.7	174.8	-72.6	176	0	0	0	111.9	F152 S158 L159 A168	F152-L156 HydrophobicContact CD1-CD1 4.04Å; F152-L156 HydrophobicContact CD2-CD1 4.49Å; F152-L156 HydrophobicContact CD2-CG 4.18Å; F152-L156 HydrophobicContact CE1-CD1 3.75Å; F152-L156 HydrophobicContact CE1-CG 4.36Å; F152-L156 HydrophobicContact CE2-CD1 4.24Å; F152-L156 HydrophobicContact CE2-CD2 3.91Å; F152-L156 HydrophobicContact CE2-CG 3.95Å; F152-L156 HydrophobicContact CG-CD1 4.41Å; F152-L156 HydrophobicContact CZ-CD1 3.87Å; F152-L156 HydrophobicContact CZ-CD2 3.95Å; F152-L156 HydrophobicContact CZ-CG 4.05Å; F152-L156 WeakPolarHBondContact O-CB 3.37Å; F152-L156 VanDerWaalsContact O-CG 3.29Å; F152-L156 WeakPolarHBondContact O-CG 3.31Å; F152-L156 PolarHBondContact O-N 3.48Å; L156-S158 PolarHBondContact O-N 3.47Å; L156-L159 HydrophobicContact CD2-CD1 4.29Å; L156-L159 PolarHBondContact O-N 3.47Å; L156-A168 HydrophobicContact CD2-CB 3.69Å
157	L	84.3	Confident	82.3	Confident	140 Å²	140	94.7 Å²	94.7	73%	0.733	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-6.2	175	-69.9	171.1	0	0	0	114.6	K153 F155	K153-L157 VanDerWaalsContact O-CG 3.31Å; K153-L157 WeakPolarHBondContact O-CG 3.29Å; K153-L157 PolarHBondContact O-N 3.27Å; K153-L157 VanDerWaalsContact O-N 3.16Å; F155-L157 VanDerWaalsContact C-N 3.31Å; F155-L157 PolarHBondContact O-N 2.79Å
158	S	81.5	Confident	83.4	Confident	65 Å²	65	90.8 Å²	90.8	46%	0.455	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	5.2	172.9	61	0	0	0	0	114	K150 E154 F155 L156	K150-S158 PolarHBondContact NZ-OG 2.92Å; E154-S158 PolarHBondContact O-OG 2.75Å; F155-S158 CarbonylContact O-C 3.41Å; F155-S158 WeakPolarHBondContact O-CA 3.18Å; F155-S158 PolarHBondContact O-N 3.1Å; F155-S158 PolarHBondContact O-OG 3.33Å; L156-S158 PolarHBondContact O-N 3.47Å
159	L	83.1	Confident	83.9	Confident	38 Å²	38	87.5 Å²	87.5	20%	0.199	46%	0.461	C	S	.	.	S	Bend	trans	-91.9	163.4	166.5	-65.4	179.6	0	0	0	110.1	F155 L156 V163 A168	F155-L159 HydrophobicContact CD1-CD1 4.14Å; F155-L159 HydrophobicContact CD1-CG 4.4Å; F155-L159 HydrophobicContact CE1-CD1 3.78Å; F155-L159 HydrophobicContact CE1-CD2 4.17Å; F155-L159 HydrophobicContact CE1-CG 4.12Å; F155-L159 HydrophobicContact CZ-CD2 4.2Å; F155-L159 PolarHBondContact O-N 2.74Å; L156-L159 HydrophobicContact CD2-CD1 4.29Å; L156-L159 PolarHBondContact O-N 3.47Å; L159-V163 HydrophobicContact CB-CG2 4.47Å; L159-V163 HydrophobicContact CD1-CG1 4.35Å; L159-A168 HydrophobicContact CD1-CB 3.91Å
160	D	82.9	Confident	84.3	Confident	111 Å²	111	91.2 Å²	91.2	59%	0.594	48%	0.476	S	S	*	.			trans	-78.9	148.6	171.8	-176.1	29.8	0	0	0	110.5	S162 V163	D160-S162 PolarHBondContact O-N 2.83Å; D160-S162 WeakPolarHBondContact OD2-CB 3.34Å; D160-S162 PolarHBondContact OD2-OG 3.05Å; D160-V163 WeakPolarHBondContact O-CG2 3.41Å; D160-V163 PolarHBondContact O-N 3.31Å
161	D	77.3	Confident	84.5	Confident	172 Å²	172	91.7 Å²	91.7	92%	0.92	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-7.9	-178.3	-71.7	-26.2	0	0	0	112.8
162	S	79.8	Confident	84.5	Confident	90 Å²	90	89.9 Å²	89.9	63%	0.629	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-4.8	176.6	67.7	0	0	0	0	115	D160	D160-S162 PolarHBondContact O-N 2.83Å; D160-S162 WeakPolarHBondContact OD2-CB 3.34Å; D160-S162 PolarHBondContact OD2-OG 3.05Å
163	V	82.6	Confident	84.7	Confident	26 Å²	26	90.1 Å²	90.1	16%	0.158	47%	0.465	C	S	.	.			trans	-88.9	121.9	-174.1	-177.2	0	0	0	0	111.6	L159 D160 E167 A168	L159-V163 HydrophobicContact CB-CG2 4.47Å; L159-V163 HydrophobicContact CD1-CG1 4.35Å; D160-V163 WeakPolarHBondContact O-CG2 3.41Å; D160-V163 PolarHBondContact O-N 3.31Å; V163-E167 HydrophobicContact CG1-CB 3.96Å; V163-E167 HydrophobicContact CG1-CG 4.19Å; V163-A168 HydrophobicContact CG1-CB 4.14Å
164	D	85.8	Confident	84.8	Confident	119 Å²	119	86.1 Å²	86.1	64%	0.636	45%	0.451	S	S	*	.			trans	-62.4	150.1	176.9	-78.4	-34	0	0	0	112.8	T166 E167 A168	D164-T166 VanDerWaalsContact C-N 3.3Å; D164-T166 PolarHBondContact O-N 2.81Å; D164-E167 HydrophobicContact CB-CB 4.48Å; D164-E167 CarbonylContact O-C 3.33Å; D164-E167 PolarHBondContact O-N 2.86Å; D164-A168 WeakPolarHBondContact O-CB 3.46Å; D164-A168 PolarHBondContact O-N 2.88Å
165	E	83.5	Confident	85	Confident	166 Å²	166	83.3 Å²	83.3	78%	0.776	44%	0.437	S	S	*	.	H	α-helix	trans	-55.4	-41.3	-177.9	-176.2	175.7	-163.4	0	0	113.1	A168 V169	E165-A168 PolarHBondContact O-N 3.43Å; E165-V169 WeakPolarHBondContact O-CG2 3.47Å; E165-V169 PolarHBondContact O-N 2.91Å
166	T	84.5	Confident	85	Confident	117 Å²	117	85.5 Å²	85.5	72%	0.718	45%	0.446	S	S	*	.	H	α-helix	trans	-66.9	-37.5	177.7	54.2	0	0	0	0	112.1	D164 K170	D164-T166 VanDerWaalsContact C-N 3.3Å; D164-T166 PolarHBondContact O-N 2.81Å; T166-K170 PolarHBondContact O-N 3.2Å; T166-K170 VanDerWaalsContact O-N 3.13Å
167	E	86.3	Confident	85.1	Confident	80 Å²	80	84.1 Å²	84.1	37%	0.374	44%	0.439	S	S	.	.	H	α-helix	trans	-72.2	-39.3	175.3	-165.9	-176.2	-175.1	0	0	111.2	V163 D164 V169 K170 R171	V163-E167 HydrophobicContact CG1-CB 3.96Å; V163-E167 HydrophobicContact CG1-CG 4.19Å; D164-E167 HydrophobicContact CB-CB 4.48Å; D164-E167 CarbonylContact O-C 3.33Å; D164-E167 PolarHBondContact O-N 2.86Å; E167-V169 PolarHBondContact O-N 3.13Å; E167-K170 PolarHBondContact O-N 3.41Å; E167-R171 VanDerWaalsContact CD-NE 3.32Å; E167-R171 HydrophobicContact CG-CG 4.21Å; E167-R171 WeakPolarHBondContact O-CB 3.4Å; E167-R171 WeakPolarHBondContact O-CG 3.13Å; E167-R171 PolarHBondContact O-N 3.32Å; E167-R171 IonicContact OE1-CZ 3.09Å; E167-R171 IonicContact OE1-NE 3.68Å; E167-R171 PolarHBondContact OE1-NE 2.9Å; E167-R171 IonicContact OE1-NH2 2.72Å; E167-R171 PolarHBondContact OE1-NH2 2.99Å; E167-R171 IonicContact OE2-CZ 3.39Å; E167-R171 IonicContact OE2-NE 3.48Å; E167-R171 IonicContact OE2-NH2 2.78Å; E167-R171 PolarHBondContact OE2-NH2 3.43Å
168	A	86.1	Confident	85.2	Confident	5 Å²	5	81.2 Å²	81.2	4%	0.041	42%	0.424	C	S	.	.	H	α-helix	trans	-61.8	-41.6	176.1	0	0	0	0	0	112.2	L156 L159 V163 D164 E165 Y172	L156-A168 HydrophobicContact CD2-CB 3.69Å; L159-A168 HydrophobicContact CD1-CB 3.91Å; V163-A168 HydrophobicContact CG1-CB 4.14Å; D164-A168 WeakPolarHBondContact O-CB 3.46Å; D164-A168 PolarHBondContact O-N 2.88Å; E165-A168 PolarHBondContact O-N 3.43Å; A168-Y172 VanDerWaalsContact O-CB 3.29Å; A168-Y172 WeakPolarHBondContact O-CB 3.47Å; A168-Y172 PolarHBondContact O-N 3.44Å
169	V	87.2	Confident	85.5	Confident	62 Å²	62	79.3 Å²	79.3	38%	0.376	41%	0.407	S	S	.	.	H	α-helix	trans	-63.5	-43.2	172.6	170.6	0	0	0	0	111.3	F152 E165 E167 Y172 N173	F152-V169 HydrophobicContact CE2-CG2 4.49Å; F152-V169 HydrophobicContact CZ-CG2 3.94Å; E165-V169 WeakPolarHBondContact O-CG2 3.47Å; E165-V169 PolarHBondContact O-N 2.91Å; E167-V169 PolarHBondContact O-N 3.13Å; V169-Y172 PolarHBondContact O-N 3.36Å; V169-N173 PolarHBondContact O-N 3.3Å; V169-N173 PolarHBondContact O-ND2 3.29Å
170	K	88.7	Confident	85.6	Confident	137 Å²	137	81.4 Å²	81.4	60%	0.596	41%	0.413	S	S	*	.	H	α-helix	trans	-62.2	-53.6	176.6	-174.3	-176.8	174.9	-173.5	0	111.5	T166 E167 Y172 N173 D174	T166-K170 PolarHBondContact O-N 3.2Å; T166-K170 VanDerWaalsContact O-N 3.13Å; E167-K170 PolarHBondContact O-N 3.41Å; K170-Y172 PolarHBondContact O-N 3.13Å; K170-N173 WeakPolarHBondContact O-CB 3.33Å; K170-N173 PolarHBondContact O-N 3.07Å; K170-D174 PolarHBondContact O-N 3.16Å
171	R	87.4	Confident	85.8	Confident	94 Å²	94	80.9 Å²	80.9	36%	0.355	40%	0.403	S	S	.	.	H	α-helix	trans	-57.4	-33.6	177	-70.6	179.6	-175.8	-170.4	10.7	112	F155 E167 Y175	F155-R171 HydrophobicContact CE1-CB 4.08Å; F155-R171 HydrophobicContact CZ-CB 4.08Å; F155-R171 WeakPolarHBondContact CZ-O 3.24Å; E167-R171 VanDerWaalsContact CD-NE 3.32Å; E167-R171 HydrophobicContact CG-CG 4.21Å; E167-R171 WeakPolarHBondContact O-CB 3.4Å; E167-R171 WeakPolarHBondContact O-CG 3.13Å; E167-R171 PolarHBondContact O-N 3.32Å; E167-R171 IonicContact OE1-CZ 3.09Å; E167-R171 IonicContact OE1-NE 3.68Å; E167-R171 PolarHBondContact OE1-NE 2.9Å; E167-R171 IonicContact OE1-NH2 2.72Å; E167-R171 PolarHBondContact OE1-NH2 2.99Å; E167-R171 IonicContact OE2-CZ 3.39Å; E167-R171 IonicContact OE2-NE 3.48Å; E167-R171 IonicContact OE2-NH2 2.78Å; E167-R171 PolarHBondContact OE2-NH2 3.43Å; R171-Y175 VanDerWaalsContact O-CB 3.27Å; R171-Y175 WeakPolarHBondContact O-CB 3.12Å; R171-Y175 PolarHBondContact O-N 2.8Å
172	Y	87.6	Confident	86.3	Confident	33 Å²	33	77.4 Å²	77.4	13%	0.129	38%	0.381	C	S	.	.	H	α-helix	trans	-72.5	-38	174.5	-178	-120.6	0	0	0	113	F152 F155 A168 V169 K170 Y175 K176	F152-Y172 VanDerWaalsContact CA-CZ 3.5Å; F152-Y172 HydrophobicContact CB-CD1 4.17Å; F152-Y172 HydrophobicContact CB-CE1 3.63Å; F152-Y172 HydrophobicContact CB-CE2 4.21Å; F152-Y172 AromaticContact CD2-CD1 3.34Å; F152-Y172 HydrophobicContact CD2-CD1 3.34Å; F152-Y172 AromaticContact CD2-CD2 3.94Å; F152-Y172 HydrophobicContact CD2-CD2 3.94Å; F152-Y172 AromaticContact CD2-CE1 3.76Å; F152-Y172 HydrophobicContact CD2-CE1 3.76Å; F152-Y172 HydrophobicContact CD2-CE2 4.32Å; F152-Y172 AromaticContact CD2-CG 3.42Å; F152-Y172 HydrophobicContact CD2-CG 3.42Å; F152-Y172 VanDerWaalsContact CD2-CG 3.42Å; F152-Y172 AromaticContact CE2-CD1 3.99Å; F152-Y172 HydrophobicContact CE2-CD1 3.99Å; F152-Y172 AromaticContact CE2-CG 3.99Å; F152-Y172 HydrophobicContact CE2-CG 3.99Å; F152-Y172 HydrophobicContact CG-CD1 4.03Å; F152-Y172 AromaticContact CG-CE1 3.99Å; F152-Y172 HydrophobicContact CG-CE1 3.99Å; F152-Y172 HydrophobicContact CG-CG 4.43Å; F152-Y172 PolarHBondContact N-OH 3.08Å; F152-Y172 VanDerWaalsContact N-OH 3.09Å; F155-Y172 HydrophobicContact CB-CD2 3.71Å; F155-Y172 HydrophobicContact CB-CE2 3.98Å; F155-Y172 AromaticContact CD1-CD2 3.62Å; F155-Y172 HydrophobicContact CD1-CD2 3.62Å; F155-Y172 HydrophobicContact CD1-CG 4.08Å; F155-Y172 HydrophobicContact CD2-CD2 4.23Å; F155-Y172 VanDerWaalsContact CE1-CA 3.49Å; F155-Y172 HydrophobicContact CE1-CD2 4.26Å; F155-Y172 HydrophobicContact CE1-CG 4.49Å; F155-Y172 AromaticContact CG-CD2 3.59Å; F155-Y172 HydrophobicContact CG-CD2 3.59Å; F155-Y172 HydrophobicContact CG-CE2 4.31Å; F155-Y172 HydrophobicContact CG-CG 4.48Å; A168-Y172 VanDerWaalsContact O-CB 3.29Å; A168-Y172 WeakPolarHBondContact O-CB 3.47Å; A168-Y172 PolarHBondContact O-N 3.44Å; V169-Y172 PolarHBondContact O-N 3.36Å; K170-Y172 PolarHBondContact O-N 3.13Å; Y172-Y175 AromaticContact CD2-CD1 3.84Å; Y172-Y175 HydrophobicContact CD2-CD1 3.84Å; Y172-Y175 AromaticContact CE2-CD1 3.98Å; Y172-Y175 HydrophobicContact CE2-CD1 3.98Å; Y172-Y175 HydrophobicContact CE2-CE1 4.29Å; Y172-Y175 PolarHBondContact O-N 3.37Å; Y172-K176 HydrophobicContact CD1-CD 4.05Å; Y172-K176 HydrophobicContact CD2-CG 4.41Å; Y172-K176 HydrophobicContact CE1-CD 3.55Å; Y172-K176 HydrophobicContact CE1-CG 4.21Å; Y172-K176 HydrophobicContact CE2-CD 4.3Å; Y172-K176 HydrophobicContact CE2-CG 4.09Å; Y172-K176 WeakPolarHBondContact O-CB 3.37Å; Y172-K176 VanDerWaalsContact O-CG 3.32Å; Y172-K176 WeakPolarHBondContact O-CG 3.25Å; Y172-K176 PolarHBondContact O-N 3.23Å
173	N	87.8	Confident	86.5	Confident	82 Å²	82	78 Å²	78	44%	0.439	37%	0.374	S	S	.	.	H	α-helix	trans	-65.4	-41.9	173.4	-74.5	-33.7	0	0	0	111.6	V169 K170 K176 L177	V169-N173 PolarHBondContact O-N 3.3Å; V169-N173 PolarHBondContact O-ND2 3.29Å; K170-N173 WeakPolarHBondContact O-CB 3.33Å; K170-N173 PolarHBondContact O-N 3.07Å; N173-K176 PolarHBondContact O-N 2.95Å; N173-L177 PolarHBondContact O-N 2.98Å
174	D	88.3	Confident	86.7	Confident	73 Å²	73	77.3 Å²	77.3	39%	0.39	37%	0.369	S	S	.	.	H	α-helix	trans	-60.8	-48.8	173	-64.4	-27.2	0	0	0	110.2	K170 K176 L177 D178	K170-D174 PolarHBondContact O-N 3.16Å; D174-K176 VanDerWaalsContact C-N 3.33Å; D174-K176 PolarHBondContact O-N 3.14Å; D174-L177 WeakPolarHBondContact O-CA 3.34Å; D174-L177 WeakPolarHBondContact O-CB 2.75Å; D174-L177 PolarHBondContact O-N 3.48Å; D174-D178 PolarHBondContact O-N 3Å
175	Y	89.1	Confident	86.8	Confident	47 Å²	47	75.4 Å²	75.4	18%	0.184	36%	0.356	C	S	.	.	H	α-helix	trans	-55.6	-41.9	172.5	167.5	-104.1	0	0	0	113.1	M149 K150 F155 R171 Y172 L177 D178 F179	M149-Y175 HydrophobicContact CG-CE1 4.17Å; K150-Y175 HydrophobicContact CB-CE1 3.89Å; K150-Y175 WeakPolarHBondContact CB-OH 3.49Å; K150-Y175 WeakPolarHBondContact CG-OH 3.29Å; K150-Y175 PolarHBondContact N-OH 3.41Å; F155-Y175 AromaticContact CD2-CD1 3.68Å; F155-Y175 HydrophobicContact CD2-CD1 3.68Å; F155-Y175 HydrophobicContact CD2-CD2 4.19Å; F155-Y175 HydrophobicContact CD2-CE1 4.18Å; F155-Y175 AromaticContact CD2-CG 3.69Å; F155-Y175 HydrophobicContact CD2-CG 3.69Å; F155-Y175 VanDerWaalsContact CE2-CB 3.45Å; F155-Y175 AromaticContact CE2-CD1 3.94Å; F155-Y175 HydrophobicContact CE2-CD1 3.94Å; F155-Y175 AromaticContact CE2-CD2 3.93Å; F155-Y175 HydrophobicContact CE2-CD2 3.93Å; F155-Y175 AromaticContact CE2-CG 3.47Å; F155-Y175 HydrophobicContact CE2-CG 3.47Å; F155-Y175 VanDerWaalsContact CE2-CG 3.47Å; F155-Y175 HydrophobicContact CG-CD1 4.37Å; F155-Y175 HydrophobicContact CZ-CG 4.31Å; R171-Y175 VanDerWaalsContact O-CB 3.27Å; R171-Y175 WeakPolarHBondContact O-CB 3.12Å; R171-Y175 PolarHBondContact O-N 2.8Å; Y172-Y175 AromaticContact CD2-CD1 3.84Å; Y172-Y175 HydrophobicContact CD2-CD1 3.84Å; Y172-Y175 AromaticContact CE2-CD1 3.98Å; Y172-Y175 HydrophobicContact CE2-CD1 3.98Å; Y172-Y175 HydrophobicContact CE2-CE1 4.29Å; Y172-Y175 PolarHBondContact O-N 3.37Å; Y175-L177 VanDerWaalsContact C-N 3.27Å; Y175-L177 PolarHBondContact O-N 3.16Å; Y175-D178 PolarHBondContact O-N 2.99Å; Y175-F179 HydrophobicContact CE2-CB 4.34Å; Y175-F179 HydrophobicContact CE2-CD2 4.44Å; Y175-F179 WeakPolarHBondContact O-CB 2.71Å; Y175-F179 PolarHBondContact O-N 2.88Å
176	K	87.2	Confident	87	Confident	66 Å²	66	70.5 Å²	70.5	29%	0.287	34%	0.335	S	S	.	.	H	α-helix	trans	-68.1	-24.9	176.9	-77.3	-175.9	70.5	-177.6	0	113.2	M149 Y172 N173 D174 R180	M149-K176 HydrophobicContact CE-CG 4.44Å; M149-K176 HydrophobicContact SD-CD 4.35Å; M149-K176 HydrophobicContact SD-CG 3.87Å; Y172-K176 HydrophobicContact CD1-CD 4.05Å; Y172-K176 HydrophobicContact CD2-CG 4.41Å; Y172-K176 HydrophobicContact CE1-CD 3.55Å; Y172-K176 HydrophobicContact CE1-CG 4.21Å; Y172-K176 HydrophobicContact CE2-CD 4.3Å; Y172-K176 HydrophobicContact CE2-CG 4.09Å; Y172-K176 WeakPolarHBondContact O-CB 3.37Å; Y172-K176 VanDerWaalsContact O-CG 3.32Å; Y172-K176 WeakPolarHBondContact O-CG 3.25Å; Y172-K176 PolarHBondContact O-N 3.23Å; N173-K176 PolarHBondContact O-N 2.95Å; D174-K176 VanDerWaalsContact C-N 3.33Å; D174-K176 PolarHBondContact O-N 3.14Å; K176-R180 WeakPolarHBondContact O-CG 3.44Å; K176-R180 PolarHBondContact O-NE 3.37Å
177	L	85.9	Confident	87.2	Confident	44 Å²	44	65.8 Å²	65.8	23%	0.23	31%	0.305	C	S	.	.	H	α-helix	trans	-79.8	-49.4	172.1	-71.8	168.8	0	0	0	110	N173 D174 Y175 F179 R180 R181	N173-L177 PolarHBondContact O-N 2.98Å; D174-L177 WeakPolarHBondContact O-CA 3.34Å; D174-L177 WeakPolarHBondContact O-CB 2.75Å; D174-L177 PolarHBondContact O-N 3.48Å; Y175-L177 VanDerWaalsContact C-N 3.27Å; Y175-L177 PolarHBondContact O-N 3.16Å; L177-F179 PolarHBondContact O-N 3.46Å; L177-R180 CarbonylContact O-C 3.6Å; L177-R180 WeakPolarHBondContact O-CA 3.47Å; L177-R180 WeakPolarHBondContact O-CB 3.47Å; L177-R180 PolarHBondContact O-N 3.27Å; L177-R181 WeakPolarHBondContact O-CG 3.45Å; L177-R181 PolarHBondContact O-N 3.2Å
178	D	87.1	Confident	87.4	Confident	78 Å²	78	62.6 Å²	62.6	42%	0.417	29%	0.289	S	S	.	.	H	α-helix	trans	-58.6	-44.1	177.6	-72.1	-19.8	0	0	0	112.7	D174 Y175 R180 R181 Q182	D174-D178 PolarHBondContact O-N 3Å; Y175-D178 PolarHBondContact O-N 2.99Å; D178-R180 VanDerWaalsContact C-N 3.31Å; D178-R180 PolarHBondContact O-N 3.47Å; D178-R181 PolarHBondContact O-N 3.41Å; D178-R181 IonicContact OD1-CZ 3.98Å; D178-R181 IonicContact OD1-NE 2.73Å; D178-R181 PolarHBondContact OD1-NE 3.24Å; D178-R181 IonicContact OD1-NH2 3.54Å; D178-R181 PolarHBondContact OD1-NH2 2.88Å; D178-Q182 WeakPolarHBondContact O-CB 3.34Å; D178-Q182 PolarHBondContact O-N 3.43Å
179	F	87.6	Confident	87.5	Confident	25 Å²	25	66.6 Å²	66.6	11%	0.11	31%	0.31	C	S	.	.	H	α-helix	trans	-59.6	-41.5	174.1	-178.5	-83.1	0	0	0	111.8	P147 M149 Y175 L177 Q183	P147-F179 HydrophobicContact CB-CE2 4.27Å; P147-F179 VanDerWaalsContact O-CZ 3.29Å; P147-F179 WeakPolarHBondContact O-CZ 3.46Å; M149-F179 HydrophobicContact CB-CD1 3.9Å; M149-F179 HydrophobicContact CB-CD2 4.46Å; M149-F179 HydrophobicContact CB-CE1 3.64Å; M149-F179 HydrophobicContact CB-CE2 4.22Å; M149-F179 HydrophobicContact CB-CG 4.31Å; M149-F179 HydrophobicContact CB-CZ 3.82Å; M149-F179 HydrophobicContact CE-CB 4.45Å; M149-F179 HydrophobicContact CE-CD1 3.43Å; M149-F179 VanDerWaalsContact CE-CD1 3.43Å; M149-F179 HydrophobicContact CE-CE1 4.03Å; M149-F179 HydrophobicContact CE-CG 4.19Å; M149-F179 HydrophobicContact CG-CD1 4.06Å; M149-F179 HydrophobicContact CG-CE1 4.32Å; M149-F179 HydrophobicContact CG-CG 4.24Å; Y175-F179 HydrophobicContact CE2-CB 4.34Å; Y175-F179 HydrophobicContact CE2-CD2 4.44Å; Y175-F179 WeakPolarHBondContact O-CB 2.71Å; Y175-F179 PolarHBondContact O-N 2.88Å; L177-F179 PolarHBondContact O-N 3.46Å; F179-Q183 HydrophobicContact CE1-CB 4.45Å; F179-Q183 WeakPolarHBondContact O-CB 3.49Å; F179-Q183 PolarHBondContact O-N 2.64Å
180	R	84.8	Confident	87.5	Confident	83 Å²	83	66.8 Å²	66.8	31%	0.313	32%	0.318	S	S	.	.	H	α-helix	trans	-68.4	-39.4	176.7	-83.7	-176	-77.5	164.8	-5.4	112.1	M149 K176 L177 D178 M184 M688	M149-R180 HydrophobicContact CE-CG 4.18Å; K176-R180 WeakPolarHBondContact O-CG 3.44Å; K176-R180 PolarHBondContact O-NE 3.37Å; L177-R180 CarbonylContact O-C 3.6Å; L177-R180 WeakPolarHBondContact O-CA 3.47Å; L177-R180 WeakPolarHBondContact O-CB 3.47Å; L177-R180 PolarHBondContact O-N 3.27Å; D178-R180 VanDerWaalsContact C-N 3.31Å; D178-R180 PolarHBondContact O-N 3.47Å; R180-M184 WeakPolarHBondContact O-CG 3.39Å; R180-M184 PolarHBondContact O-N 2.24Å; R180-M688 HydrophobicContact CB-CE 4.02Å; R180-M688 HydrophobicContact CB-SD 4.45Å
181	R	87.3	Confident	87.5	Confident	100 Å²	100	61.5 Å²	61.5	38%	0.377	30%	0.295	S	S	.	.	H	α-helix	trans	-61	-50.4	173.5	-69.9	-165.4	-83.4	-155.3	0.8	111	L177 D178 M184 Q185 K687	L177-R181 WeakPolarHBondContact O-CG 3.45Å; L177-R181 PolarHBondContact O-N 3.2Å; D178-R181 PolarHBondContact O-N 3.41Å; D178-R181 IonicContact OD1-CZ 3.98Å; D178-R181 IonicContact OD1-NE 2.73Å; D178-R181 PolarHBondContact OD1-NE 3.24Å; D178-R181 IonicContact OD1-NH2 3.54Å; D178-R181 PolarHBondContact OD1-NH2 2.88Å; R181-M184 PolarHBondContact O-N 3.05Å; R181-Q185 WeakPolarHBondContact O-CB 3.35Å; R181-Q185 PolarHBondContact O-N 1.92Å; R181-K687 WeakPolarHBondContact CD-O 3.37Å
182	Q	87	Confident	87.5	Confident	98 Å²	98	59.1 Å²	59.1	46%	0.458	29%	0.287	S	S	.	.	H	α-helix	trans	-60.8	-47.7	177.6	-170.3	64.5	44.9	0	0	111.3	D178 M184 Q185 D186	D178-Q182 WeakPolarHBondContact O-CB 3.34Å; D178-Q182 PolarHBondContact O-N 3.43Å; Q182-M184 VanDerWaalsContact C-N 3.3Å; Q182-M184 PolarHBondContact O-N 2.76Å; Q182-Q185 PolarHBondContact O-N 3.24Å; Q182-Q185 VanDerWaalsContact O-N 3.11Å; Q182-D186 PolarHBondContact NE2-OD1 2.75Å; Q182-D186 WeakPolarHBondContact O-CB 3.49Å; Q182-D186 VanDerWaalsContact O-CG 3.22Å; Q182-D186 PolarHBondContact O-N 2.79Å
183	Q	85.5	Confident	87.5	Confident	103 Å²	103	62.5 Å²	62.5	48%	0.481	31%	0.308	S	S	.	.	H	α-helix	trans	-58.2	-40.3	177.6	-176.9	-177	61.8	0	0	112.4	F179 F187	F179-Q183 HydrophobicContact CE1-CB 4.45Å; F179-Q183 WeakPolarHBondContact O-CB 3.49Å; F179-Q183 PolarHBondContact O-N 2.64Å; Q183-F187 VanDerWaalsContact O-CB 3.24Å; Q183-F187 WeakPolarHBondContact O-CB 3.49Å; Q183-F187 PolarHBondContact O-N 2.84Å
184	M	85.6	Confident	87.5	Confident	11 Å²	11	59.9 Å²	59.9	5%	0.054	29%	0.293	C	S	.	.	H	α-helix	trans	-70.7	-36.8	175.8	-74.7	-172	62	0	0	112.7	R180 R181 Q182 F188 M688 F753 L754	R180-M184 WeakPolarHBondContact O-CG 3.39Å; R180-M184 PolarHBondContact O-N 2.24Å; R181-M184 PolarHBondContact O-N 3.05Å; Q182-M184 VanDerWaalsContact C-N 3.3Å; Q182-M184 PolarHBondContact O-N 2.76Å; M184-F188 WeakPolarHBondContact O-CB 3.47Å; M184-F188 PolarHBondContact O-N 3.22Å; M184-M688 HydrophobicContact CG-CE 4.44Å; M184-M688 HydrophobicContact SD-CE 3.24Å; M184-M688 WeakPolarHBondContact SD-CE 3.47Å; M184-F753 HydrophobicContact CB-CE1 4.27Å; M184-F753 HydrophobicContact CE-CD1 4.35Å; M184-F753 HydrophobicContact CE-CE1 3.85Å; M184-F753 HydrophobicContact CE-CZ 4.21Å; M184-L754 HydrophobicContact CE-CB 4.14Å; M184-L754 HydrophobicContact CE-CG 3.95Å
185	Q	87.6	Confident	87.4	Confident	80 Å²	80	59 Å²	59	37%	0.374	29%	0.286	S	S	.	.	H	α-helix	trans	-67.9	-44	175.1	-177.2	168	-18.9	0	0	111.8	R181 Q182 F188 L189	R181-Q185 WeakPolarHBondContact O-CB 3.35Å; R181-Q185 PolarHBondContact O-N 1.92Å; Q182-Q185 PolarHBondContact O-N 3.24Å; Q182-Q185 VanDerWaalsContact O-N 3.11Å; Q185-F188 PolarHBondContact O-N 3.42Å; Q185-L189 HydrophobicContact CG-CD1 4.07Å; Q185-L189 HydrophobicContact CG-CG 4.49Å; Q185-L189 WeakPolarHBondContact O-CB 3.37Å; Q185-L189 VanDerWaalsContact O-CG 3.28Å; Q185-L189 WeakPolarHBondContact O-CG 3.38Å; Q185-L189 PolarHBondContact O-N 2.66Å
186	D	87.7	Confident	87.3	Confident	62 Å²	62	57.2 Å²	57.2	33%	0.332	28%	0.279	S	S	.	.	H	α-helix	trans	-63.8	-43.4	176.6	-66.7	-17	0	0	0	111	Q182 L189 A190	Q182-D186 PolarHBondContact NE2-OD1 2.75Å; Q182-D186 WeakPolarHBondContact O-CB 3.49Å; Q182-D186 VanDerWaalsContact O-CG 3.22Å; Q182-D186 PolarHBondContact O-N 2.79Å; D186-L189 PolarHBondContact O-N 3.23Å; D186-A190 WeakPolarHBondContact O-CB 3.44Å; D186-A190 PolarHBondContact O-N 3.39Å
187	F	89.3	Confident	87.3	Confident	19 Å²	19	54 Å²	54	8%	0.083	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-45.5	174.5	-173.9	-86.1	0	0	0	111.7	Q183 A190 H191 W196 F197 F461 F753 P760	Q183-F187 VanDerWaalsContact O-CB 3.24Å; Q183-F187 WeakPolarHBondContact O-CB 3.49Å; Q183-F187 PolarHBondContact O-N 2.84Å; F187-A190 PolarHBondContact O-N 3.36Å; F187-H191 AromaticContact CD1-CD2 3.91Å; F187-H191 AromaticContact CD2-CD2 3.66Å; F187-H191 AromaticContact CD2-NE2 3.92Å; F187-H191 AromaticContact CE1-CD2 3.69Å; F187-H191 AromaticContact CE2-CD2 3.42Å; F187-H191 VanDerWaalsContact CE2-CD2 3.42Å; F187-H191 WeakPolarHBondContact CE2-CD2 3.32Å; F187-H191 AromaticContact CE2-NE2 3.5Å; F187-H191 WeakPolarHBondContact CE2-NE2 3.46Å; F187-H191 AromaticContact CG-CD2 3.9Å; F187-H191 AromaticContact CZ-CD2 3.44Å; F187-H191 VanDerWaalsContact CZ-CD2 3.44Å; F187-H191 WeakPolarHBondContact CZ-CD2 3.46Å; F187-H191 AromaticContact CZ-NE2 3.84Å; F187-H191 PolarHBondContact O-CD2 3.3Å; F187-H191 VanDerWaalsContact O-CD2 3.25Å; F187-H191 PolarHBondContact O-N 3.37Å; F187-H191 VanDerWaalsContact O-N 3.09Å; F187-W196 HydrophobicContact CZ-CH2 4.48Å; F187-F197 HydrophobicContact CD1-CE2 4.49Å; F187-F197 HydrophobicContact CE1-CD2 4.47Å; F187-F197 AromaticContact CE1-CE2 3.99Å; F187-F197 HydrophobicContact CE1-CE2 3.99Å; F187-F461 AromaticContact CE2-CE2 3.71Å; F187-F461 HydrophobicContact CE2-CE2 3.71Å; F187-F461 AromaticContact CE2-CZ 3.71Å; F187-F461 HydrophobicContact CE2-CZ 3.71Å; F187-F461 HydrophobicContact CZ-CE1 4.38Å; F187-F461 HydrophobicContact CZ-CE2 4Å; F187-F461 AromaticContact CZ-CZ 3.72Å; F187-F461 HydrophobicContact CZ-CZ 3.72Å; F187-F753 HydrophobicContact CD1-CE1 4.37Å; F187-F753 AromaticContact CD1-CE2 3.89Å; F187-F753 HydrophobicContact CD1-CE2 3.89Å; F187-F753 AromaticContact CD1-CZ 3.53Å; F187-F753 HydrophobicContact CD1-CZ 3.53Å; F187-F753 AromaticContact CE1-CE2 3.99Å; F187-F753 HydrophobicContact CE1-CE2 3.99Å; F187-F753 HydrophobicContact CE1-CZ 4.12Å; F187-F753 HydrophobicContact CG-CZ 4.4Å; F187-P760 HydrophobicContact CE1-CB 4.36Å; F187-P760 HydrophobicContact CZ-CB 4.08Å
188	F	90.2	Very high	87.5	Confident	12 Å²	12	54.7 Å²	54.7	5%	0.053	27%	0.265	C	S	.	.	H	α-helix	trans	-59.7	-49.4	175.1	177.3	-93.4	0	0	0	111	M184 Q185 A190 H191 K192 F197 F749 F750 F753	M184-F188 WeakPolarHBondContact O-CB 3.47Å; M184-F188 PolarHBondContact O-N 3.22Å; Q185-F188 PolarHBondContact O-N 3.42Å; F188-A190 VanDerWaalsContact C-N 3.29Å; F188-A190 PolarHBondContact O-N 2.87Å; F188-H191 PolarHBondContact O-N 3.44Å; F188-K192 HydrophobicContact CD1-CB 4.29Å; F188-K192 HydrophobicContact CE1-CB 4Å; F188-K192 HydrophobicContact CE1-CD 4.11Å; F188-K192 HydrophobicContact CE2-CB 4.41Å; F188-K192 HydrophobicContact CZ-CB 4.06Å; F188-K192 WeakPolarHBondContact O-CA 3.31Å; F188-K192 WeakPolarHBondContact O-CB 3.18Å; F188-K192 PolarHBondContact O-N 3.07Å; F188-F197 AromaticContact CD2-CE1 3.63Å; F188-F197 HydrophobicContact CD2-CE1 3.63Å; F188-F197 AromaticContact CD2-CZ 3.85Å; F188-F197 HydrophobicContact CD2-CZ 3.85Å; F188-F197 AromaticContact CE2-CE1 3.95Å; F188-F197 HydrophobicContact CE2-CE1 3.95Å; F188-F749 HydrophobicContact CE2-CB 4.5Å; F188-F749 AromaticContact CE2-CD1 3.76Å; F188-F749 HydrophobicContact CE2-CD1 3.76Å; F188-F749 AromaticContact CE2-CD2 3.97Å; F188-F749 HydrophobicContact CE2-CD2 3.97Å; F188-F749 AromaticContact CE2-CE1 3.94Å; F188-F749 HydrophobicContact CE2-CE1 3.94Å; F188-F749 HydrophobicContact CE2-CE2 4.14Å; F188-F749 AromaticContact CE2-CG 3.79Å; F188-F749 HydrophobicContact CE2-CG 3.79Å; F188-F749 HydrophobicContact CE2-CZ 4.14Å; F188-F749 AromaticContact CZ-CD1 3.56Å; F188-F749 HydrophobicContact CZ-CD1 3.56Å; F188-F749 AromaticContact CZ-CE1 3.88Å; F188-F749 HydrophobicContact CZ-CE1 3.88Å; F188-F749 AromaticContact CZ-CG 3.97Å; F188-F749 HydrophobicContact CZ-CG 3.97Å; F188-F750 HydrophobicContact CB-CD2 3.99Å; F188-F750 HydrophobicContact CB-CE2 4.11Å; F188-F750 AromaticContact CD1-CD2 3.88Å; F188-F750 HydrophobicContact CD1-CD2 3.88Å; F188-F750 HydrophobicContact CD2-CB 4.4Å; F188-F750 AromaticContact CD2-CD2 3.78Å; F188-F750 HydrophobicContact CD2-CD2 3.78Å; F188-F750 HydrophobicContact CE1-CB 4.42Å; F188-F750 HydrophobicContact CE1-CD2 4.29Å; F188-F750 HydrophobicContact CE2-CB 4Å; F188-F750 HydrophobicContact CE2-CD2 4.21Å; F188-F750 AromaticContact CG-CD2 3.6Å; F188-F750 HydrophobicContact CG-CD2 3.6Å; F188-F750 HydrophobicContact CG-CE2 4.22Å; F188-F750 HydrophobicContact CZ-CB 4.01Å; F188-F750 HydrophobicContact CZ-CD2 4.44Å; F188-F753 HydrophobicContact CB-CD1 4.28Å; F188-F753 HydrophobicContact CB-CE1 4.23Å; F188-F753 HydrophobicContact CD2-CD1 4.17Å
189	L	89.3	Confident	87.4	Confident	90 Å²	90	51.9 Å²	51.9	47%	0.471	25%	0.251	S	S	.	.	H	α-helix	trans	-62.8	-33.5	-179.9	-71	172.5	0	0	0	113.1	Q185 D186 K192	Q185-L189 HydrophobicContact CG-CD1 4.07Å; Q185-L189 HydrophobicContact CG-CG 4.49Å; Q185-L189 WeakPolarHBondContact O-CB 3.37Å; Q185-L189 VanDerWaalsContact O-CG 3.28Å; Q185-L189 WeakPolarHBondContact O-CG 3.38Å; Q185-L189 PolarHBondContact O-N 2.66Å; D186-L189 PolarHBondContact O-N 3.23Å; L189-K192 HydrophobicContact CD2-CD 4.27Å
190	A	87.1	Confident	87.3	Confident	66 Å²	66	52.4 Å²	52.4	55%	0.545	25%	0.254	S	S	.	.	H	α-helix	trans	-71.2	-33.6	175.7	0	0	0	0	0	113.3	D186 F187 F188	D186-A190 WeakPolarHBondContact O-CB 3.44Å; D186-A190 PolarHBondContact O-N 3.39Å; F187-A190 PolarHBondContact O-N 3.36Å; F188-A190 VanDerWaalsContact C-N 3.29Å; F188-A190 PolarHBondContact O-N 2.87Å
191	H	87.6	Confident	87.6	Confident	25 Å²	25	48.8 Å²	48.8	12%	0.116	24%	0.24	C	C	.	.	H	α-helix	trans	-110.5	-7.7	-172	-64.9	-68.2	0	0	0	114.9	F187 F188 D193 E194 W196 F197 F461	F187-H191 AromaticContact CD1-CD2 3.91Å; F187-H191 AromaticContact CD2-CD2 3.66Å; F187-H191 AromaticContact CD2-NE2 3.92Å; F187-H191 AromaticContact CE1-CD2 3.69Å; F187-H191 AromaticContact CE2-CD2 3.42Å; F187-H191 VanDerWaalsContact CE2-CD2 3.42Å; F187-H191 WeakPolarHBondContact CE2-CD2 3.32Å; F187-H191 AromaticContact CE2-NE2 3.5Å; F187-H191 WeakPolarHBondContact CE2-NE2 3.46Å; F187-H191 AromaticContact CG-CD2 3.9Å; F187-H191 AromaticContact CZ-CD2 3.44Å; F187-H191 VanDerWaalsContact CZ-CD2 3.44Å; F187-H191 WeakPolarHBondContact CZ-CD2 3.46Å; F187-H191 AromaticContact CZ-NE2 3.84Å; F187-H191 PolarHBondContact O-CD2 3.3Å; F187-H191 VanDerWaalsContact O-CD2 3.25Å; F187-H191 PolarHBondContact O-N 3.37Å; F187-H191 VanDerWaalsContact O-N 3.09Å; F188-H191 PolarHBondContact O-N 3.44Å; H191-D193 PolarHBondContact O-N 2.84Å; H191-D193 VanDerWaalsContact O-N 3.1Å; H191-E194 IonicContact CE1-OE2 2.63Å; H191-E194 IonicContact CG-OE2 3.56Å; H191-E194 IonicContact ND1-OE2 2.62Å; H191-E194 PolarHBondContact ND1-OE2 3.1Å; H191-E194 WeakPolarHBondContact O-CB 3.28Å; H191-E194 PolarHBondContact O-N 3.12Å; H191-W196 HydrophobicContact CB-CZ2 4.38Å; H191-F197 HydrophobicContact CB-CB 4.33Å; H191-F197 HydrophobicContact CB-CD1 4.23Å; H191-F197 HydrophobicContact CB-CD2 4.31Å; H191-F197 HydrophobicContact CB-CG 4.04Å; H191-F197 WeakPolarHBondContact O-CB 3.42Å; H191-F197 WeakPolarHBondContact O-CD1 3.29Å; H191-F461 AromaticContact CE1-CD2 3.93Å
192	K	88.9	Confident	87.7	Confident	44 Å²	44	44.8 Å²	44.8	19%	0.191	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.7	-176	65.3	168.4	-164.8	72.2	0	115	F188 L189 R198 F749	F188-K192 HydrophobicContact CD1-CB 4.29Å; F188-K192 HydrophobicContact CE1-CB 4Å; F188-K192 HydrophobicContact CE1-CD 4.11Å; F188-K192 HydrophobicContact CE2-CB 4.41Å; F188-K192 HydrophobicContact CZ-CB 4.06Å; F188-K192 WeakPolarHBondContact O-CA 3.31Å; F188-K192 WeakPolarHBondContact O-CB 3.18Å; F188-K192 PolarHBondContact O-N 3.07Å; L189-K192 HydrophobicContact CD2-CD 4.27Å; K192-R198 VanDerWaalsContact O-CD 3.31Å; K192-R198 WeakPolarHBondContact O-CD 3.47Å; K192-R198 WeakPolarHBondContact O-CG 3.49Å; K192-F749 HydrophobicContact CB-CE1 3.82Å; K192-F749 HydrophobicContact CB-CZ 4.2Å; K192-F749 WeakPolarHBondContact O-CE1 3.34Å
193	D	87.5	Confident	87.7	Confident	105 Å²	105	42 Å²	42	56%	0.561	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-1.8	-179.4	-61.4	-39.3	0	0	0	112.3	H191	H191-D193 PolarHBondContact O-N 2.84Å; H191-D193 VanDerWaalsContact O-N 3.1Å
194	E	87.5	Confident	87.8	Confident	26 Å²	26	40.8 Å²	40.8	12%	0.121	21%	0.213	C	C	.	.	S	Bend	trans	-88.4	128.3	178.3	-57.6	-168.8	136.1	0	0	111.8	H191 W196 F197 R198 P430 N431	H191-E194 IonicContact CE1-OE2 2.63Å; H191-E194 IonicContact CG-OE2 3.56Å; H191-E194 IonicContact ND1-OE2 2.62Å; H191-E194 PolarHBondContact ND1-OE2 3.1Å; H191-E194 WeakPolarHBondContact O-CB 3.28Å; H191-E194 PolarHBondContact O-N 3.12Å; E194-W196 VanDerWaalsContact C-N 3.27Å; E194-W196 PolarHBondContact O-N 2.99Å; E194-W196 VanDerWaalsContact O-N 3.15Å; E194-W196 PolarHBondContact OE2-NE1 3.14Å; E194-F197 PolarHBondContact O-N 3.37Å; E194-R198 WeakPolarHBondContact O-CG 3.44Å; E194-R198 PolarHBondContact O-N 3.32Å; E194-P430 WeakPolarHBondContact OE1-CB 3.23Å; E194-P430 WeakPolarHBondContact OE1-CG 2.99Å; E194-P430 WeakPolarHBondContact OE2-CB 3.07Å; E194-N431 PolarHBondContact OE1-N 3.01Å
195	E	85.5	Confident	87.8	Confident	54 Å²	54	42.7 Å²	42.7	25%	0.252	22%	0.222	S	C	.	.	H	α-helix	trans	-53.5	-38.7	-174.8	-179.7	-166	-132.4	0	0	113.6	F197 S199 S433 R434 R463	E195-F197 VanDerWaalsContact C-N 3.29Å; E195-F197 PolarHBondContact O-N 2.99Å; E195-S199 WeakPolarHBondContact O-CB 3.37Å; E195-S199 PolarHBondContact O-N 3.26Å; E195-S433 WeakPolarHBondContact OE2-CA 3.39Å; E195-R434 VanDerWaalsContact CD-N 3.3Å; E195-R434 VanDerWaalsContact OE1-CB 3.22Å; E195-R434 WeakPolarHBondContact OE1-CB 3.04Å; E195-R434 PolarHBondContact OE1-N 3.43Å; E195-R434 PolarHBondContact OE2-N 2.88Å; E195-R463 IonicContact OE2-NH1 2.94Å; E195-R463 PolarHBondContact OE2-NH1 2.7Å
196	W	86.4	Confident	87.6	Confident	10 Å²	10	40.2 Å²	40.2	4%	0.038	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-37.3	-178.8	74.9	-91.7	0	0	0	111.9	F187 H191 E194 K200 P455 F461 P760	F187-W196 HydrophobicContact CZ-CH2 4.48Å; H191-W196 HydrophobicContact CB-CZ2 4.38Å; E194-W196 VanDerWaalsContact C-N 3.27Å; E194-W196 PolarHBondContact O-N 2.99Å; E194-W196 VanDerWaalsContact O-N 3.15Å; E194-W196 PolarHBondContact OE2-NE1 3.14Å; W196-K200 PolarHBondContact O-N 3.28Å; W196-P455 HydrophobicContact CB-CG 4.35Å; W196-P455 HydrophobicContact CD2-CB 4.42Å; W196-P455 HydrophobicContact CD2-CG 3.54Å; W196-P455 HydrophobicContact CE3-CG 3.36Å; W196-P455 HydrophobicContact CG-CG 3.98Å; W196-P455 HydrophobicContact CH2-CG 4.42Å; W196-P455 HydrophobicContact CZ3-CG 3.83Å; W196-F461 AromaticContact CH2-CD1 3.99Å; W196-F461 HydrophobicContact CH2-CD1 3.99Å; W196-F461 HydrophobicContact CH2-CE1 4.25Å; W196-F461 HydrophobicContact CZ2-CB 4.36Å; W196-F461 HydrophobicContact CZ2-CD1 4.04Å; W196-F461 HydrophobicContact CZ2-CG 4.11Å; W196-P760 HydrophobicContact CH2-CB 3.8Å; W196-P760 HydrophobicContact CH2-CG 3.86Å; W196-P760 HydrophobicContact CZ3-CB 4.11Å; W196-P760 HydrophobicContact CZ3-CG 3.67Å
197	F	88.8	Confident	87.4	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-82.4	-46.5	-176.3	-175.3	-100.8	0	0	0	110.5	F187 F188 H191 E194 E195 S199 K200 Y201 F749 F753	F187-F197 HydrophobicContact CD1-CE2 4.49Å; F187-F197 HydrophobicContact CE1-CD2 4.47Å; F187-F197 AromaticContact CE1-CE2 3.99Å; F187-F197 HydrophobicContact CE1-CE2 3.99Å; F188-F197 AromaticContact CD2-CE1 3.63Å; F188-F197 HydrophobicContact CD2-CE1 3.63Å; F188-F197 AromaticContact CD2-CZ 3.85Å; F188-F197 HydrophobicContact CD2-CZ 3.85Å; F188-F197 AromaticContact CE2-CE1 3.95Å; F188-F197 HydrophobicContact CE2-CE1 3.95Å; H191-F197 HydrophobicContact CB-CB 4.33Å; H191-F197 HydrophobicContact CB-CD1 4.23Å; H191-F197 HydrophobicContact CB-CD2 4.31Å; H191-F197 HydrophobicContact CB-CG 4.04Å; H191-F197 WeakPolarHBondContact O-CB 3.42Å; H191-F197 WeakPolarHBondContact O-CD1 3.29Å; E194-F197 PolarHBondContact O-N 3.37Å; E195-F197 VanDerWaalsContact C-N 3.29Å; E195-F197 PolarHBondContact O-N 2.99Å; F197-S199 PolarHBondContact O-N 2.91Å; F197-K200 PolarHBondContact O-N 3.24Å; F197-K200 VanDerWaalsContact O-N 3.1Å; F197-Y201 AromaticContact CD2-CD2 3.83Å; F197-Y201 HydrophobicContact CD2-CD2 3.83Å; F197-Y201 AromaticContact CD2-CE2 3.83Å; F197-Y201 HydrophobicContact CD2-CE2 3.83Å; F197-Y201 HydrophobicContact CE1-CD2 4.48Å; F197-Y201 AromaticContact CE2-CD2 3.65Å; F197-Y201 HydrophobicContact CE2-CD2 3.65Å; F197-Y201 AromaticContact CE2-CE2 3.63Å; F197-Y201 HydrophobicContact CE2-CE2 3.63Å; F197-Y201 HydrophobicContact CG-CD2 4.33Å; F197-Y201 HydrophobicContact CZ-CD2 4.01Å; F197-Y201 HydrophobicContact CZ-CE2 4.37Å; F197-Y201 PolarHBondContact O-N 2.89Å; F197-Y201 VanDerWaalsContact O-N 3.14Å; F197-F749 AromaticContact CD1-CE2 3.69Å; F197-F749 HydrophobicContact CD1-CE2 3.69Å; F197-F749 AromaticContact CD1-CZ 3.58Å; F197-F749 HydrophobicContact CD1-CZ 3.58Å; F197-F749 AromaticContact CE1-CE2 3.63Å; F197-F749 HydrophobicContact CE1-CE2 3.63Å; F197-F749 AromaticContact CE1-CZ 3.72Å; F197-F749 HydrophobicContact CE1-CZ 3.72Å; F197-F753 HydrophobicContact CE2-CB 4.49Å; F197-F753 AromaticContact CE2-CD2 3.51Å; F197-F753 HydrophobicContact CE2-CD2 3.51Å; F197-F753 AromaticContact CE2-CE2 3.87Å; F197-F753 HydrophobicContact CE2-CE2 3.87Å; F197-F753 HydrophobicContact CE2-CG 4.04Å; F197-F753 HydrophobicContact CZ-CB 3.92Å; F197-F753 HydrophobicContact CZ-CD1 4.18Å; F197-F753 AromaticContact CZ-CD2 3.61Å; F197-F753 HydrophobicContact CZ-CD2 3.61Å; F197-F753 HydrophobicContact CZ-CE2 4.14Å; F197-F753 AromaticContact CZ-CG 3.63Å; F197-F753 HydrophobicContact CZ-CG 3.63Å
198	R	88.4	Confident	87.3	Confident	58 Å²	58	44.2 Å²	44.2	22%	0.219	24%	0.237	C	C	.	.	H	α-helix	trans	-53.3	-52.8	171.7	-66.8	179.3	64.4	89.5	9.3	111.1	K192 E194 K200 Y201 H202 E205 F749	K192-R198 VanDerWaalsContact O-CD 3.31Å; K192-R198 WeakPolarHBondContact O-CD 3.47Å; K192-R198 WeakPolarHBondContact O-CG 3.49Å; E194-R198 WeakPolarHBondContact O-CG 3.44Å; E194-R198 PolarHBondContact O-N 3.32Å; R198-K200 PolarHBondContact O-N 2.98Å; R198-Y201 PolarHBondContact O-N 2.86Å; R198-Y201 VanDerWaalsContact O-N 3.15Å; R198-H202 HydrophobicContact CB-CB 4.27Å; R198-H202 PolarHBondContact NH2-NE2 3.09Å; R198-H202 WeakPolarHBondContact O-CA 3.42Å; R198-H202 WeakPolarHBondContact O-CB 3.37Å; R198-H202 PolarHBondContact O-N 2.66Å; R198-E205 WeakPolarHBondContact CB-OE2 3.15Å; R198-E205 IonicContact CZ-OE1 2.74Å; R198-E205 IonicContact NE-OE1 3.47Å; R198-E205 PolarHBondContact NE-OE1 3.19Å; R198-E205 IonicContact NH2-OE1 3.54Å; R198-E205 PolarHBondContact NH2-OE1 3.07Å; R198-E205 VanDerWaalsContact NH2-OE1 3.09Å; R198-F749 HydrophobicContact CB-CZ 4.32Å; R198-F749 HydrophobicContact CG-CE1 4.29Å; R198-F749 HydrophobicContact CG-CZ 3.82Å
199	S	85.5	Confident	87	Confident	18 Å²	18	48.9 Å²	48.9	13%	0.126	25%	0.254	C	S	.	.	H	α-helix	trans	-69.5	-10.4	-176.6	-162.6	0	0	0	0	113.7	E195 F197 E205 R209	E195-S199 WeakPolarHBondContact O-CB 3.37Å; E195-S199 PolarHBondContact O-N 3.26Å; F197-S199 PolarHBondContact O-N 2.91Å; S199-E205 WeakPolarHBondContact CA-OE2 3.42Å; S199-E205 PolarHBondContact N-OE2 3.03Å; S199-E205 VanDerWaalsContact N-OE2 3.15Å; S199-R209 VanDerWaalsContact CB-CZ 3.43Å; S199-R209 PolarHBondContact O-NH1 3.19Å; S199-R209 PolarHBondContact OG-NE 3.38Å; S199-R209 VanDerWaalsContact OG-NE 3.09Å; S199-R209 PolarHBondContact OG-NH1 3.35Å; S199-R209 PolarHBondContact OG-NH2 2.77Å
200	K	86.3	Confident	86.7	Confident	37 Å²	37	53.1 Å²	53.1	16%	0.161	26%	0.264	C	S	.	.	H	α-helix	trans	-91.3	-31	173.4	-170	175.1	177.4	-170.2	0	113.7	W196 F197 R198 V206 E454 D756	W196-K200 PolarHBondContact O-N 3.28Å; F197-K200 PolarHBondContact O-N 3.24Å; F197-K200 VanDerWaalsContact O-N 3.1Å; R198-K200 PolarHBondContact O-N 2.98Å; K200-V206 WeakPolarHBondContact O-CG2 3.33Å; K200-E454 IonicContact NZ-OE1 3.96Å; K200-D756 IonicContact NZ-OD2 3.68Å
201	Y	89.7	Confident	86.6	Confident	6 Å²	6	56 Å²	56	2%	0.024	27%	0.266	C	S	.	.	H	α-helix	trans	-130	-21.8	-172.6	-55.9	-70.3	0	0	0	116.2	F197 R198 N752 F753 D756 P760	F197-Y201 AromaticContact CD2-CD2 3.83Å; F197-Y201 HydrophobicContact CD2-CD2 3.83Å; F197-Y201 AromaticContact CD2-CE2 3.83Å; F197-Y201 HydrophobicContact CD2-CE2 3.83Å; F197-Y201 HydrophobicContact CE1-CD2 4.48Å; F197-Y201 AromaticContact CE2-CD2 3.65Å; F197-Y201 HydrophobicContact CE2-CD2 3.65Å; F197-Y201 AromaticContact CE2-CE2 3.63Å; F197-Y201 HydrophobicContact CE2-CE2 3.63Å; F197-Y201 HydrophobicContact CG-CD2 4.33Å; F197-Y201 HydrophobicContact CZ-CD2 4.01Å; F197-Y201 HydrophobicContact CZ-CE2 4.37Å; F197-Y201 PolarHBondContact O-N 2.89Å; F197-Y201 VanDerWaalsContact O-N 3.14Å; R198-Y201 PolarHBondContact O-N 2.86Å; R198-Y201 VanDerWaalsContact O-N 3.15Å; Y201-N752 HydrophobicContact CD1-CB 4.24Å; Y201-N752 WeakPolarHBondContact CD1-O 3.46Å; Y201-N752 WeakPolarHBondContact O-CB 3.34Å; Y201-N752 PolarHBondContact O-ND2 3.15Å; Y201-F753 HydrophobicContact CD1-CB 4.24Å; Y201-F753 HydrophobicContact CD2-CB 4.13Å; Y201-F753 HydrophobicContact CD2-CD2 4.44Å; Y201-F753 HydrophobicContact CE2-CB 4.47Å; Y201-F753 HydrophobicContact CE2-CD2 4.04Å; Y201-F753 HydrophobicContact CG-CB 4.01Å; Y201-D756 HydrophobicContact CE1-CB 3.89Å; Y201-D756 WeakPolarHBondContact CE1-OD2 3.31Å; Y201-D756 PolarHBondContact OH-OD2 2.82Å; Y201-P760 WeakPolarHBondContact OH-CD 3.45Å
202	H	89.9	Confident	86.6	Confident	16 Å²	16	59.8 Å²	59.8	7%	0.074	28%	0.284	C	S	.	.			trans	-70.8	127.7	179.6	-173.8	-79.4	0	0	0	110.3	R198 D204 E205 V206 F749	R198-H202 HydrophobicContact CB-CB 4.27Å; R198-H202 PolarHBondContact NH2-NE2 3.09Å; R198-H202 WeakPolarHBondContact O-CA 3.42Å; R198-H202 WeakPolarHBondContact O-CB 3.37Å; R198-H202 PolarHBondContact O-N 2.66Å; H202-D204 IonicContact CE1-OD2 3.7Å; H202-D204 PolarHBondContact ND1-N 3.02Å; H202-D204 PolarHBondContact O-N 2.79Å; H202-E205 HydrophobicContact CB-CB 4.39Å; H202-E205 PolarHBondContact O-N 3.29Å; H202-V206 WeakPolarHBondContact O-CB 3.22Å; H202-V206 VanDerWaalsContact O-CG2 3.26Å; H202-V206 WeakPolarHBondContact O-CG2 3.33Å; H202-V206 PolarHBondContact O-N 3.37Å; H202-F749 HydrophobicContact CB-CD2 3.97Å; H202-F749 HydrophobicContact CB-CE2 4.13Å; H202-F749 HydrophobicContact CB-CG 4.16Å; H202-F749 HydrophobicContact CB-CZ 4.46Å; H202-F749 AromaticContact CD2-CD1 3.93Å
203	P	88.1	Confident	86.4	Confident	39 Å²	39	60.3 Å²	60.3	25%	0.253	30%	0.296	S	S	.	.	H	α-helix	trans	-55.3	-49.2	-168.6	19.6	-32.4	0	0	0	113.5	E205 G207 K745 A748	P203-E205 PolarHBondContact O-N 2.88Å; P203-G207 PolarHBondContact O-N 3.16Å; P203-K745 HydrophobicContact CG-CB 4.03Å; P203-K745 HydrophobicContact CG-CG 4.01Å; P203-A748 HydrophobicContact CG-CB 4.32Å
204	D	86.9	Confident	86.3	Confident	79 Å²	79	59 Å²	59	42%	0.422	28%	0.284	S	S	.	.	H	α-helix	trans	-65.3	-40.2	-177.4	-56.7	-11.4	0	0	0	112.6	H202 G207 K208 K745	H202-D204 IonicContact CE1-OD2 3.7Å; H202-D204 PolarHBondContact ND1-N 3.02Å; H202-D204 PolarHBondContact O-N 2.79Å; D204-G207 PolarHBondContact O-N 3.46Å; D204-K208 WeakPolarHBondContact O-CB 3.25Å; D204-K208 PolarHBondContact O-N 3.33Å; D204-K745 WeakPolarHBondContact OD1-CE 3.42Å; D204-K745 IonicContact OD1-NZ 2.76Å; D204-K745 PolarHBondContact OD1-NZ 3.09Å; D204-K745 WeakPolarHBondContact OD2-CE 3.22Å; D204-K745 IonicContact OD2-NZ 3.28Å; D204-K745 PolarHBondContact OD2-NZ 3.38Å
205	E	85.2	Confident	86.4	Confident	51 Å²	51	59.5 Å²	59.5	24%	0.238	30%	0.295	C	S	.	.	H	α-helix	trans	-79.1	-35.2	-176.2	-64.5	-178.2	-148.5	0	0	111.7	R198 S199 H202 P203 G207 K208 R209	R198-E205 WeakPolarHBondContact CB-OE2 3.15Å; R198-E205 IonicContact CZ-OE1 2.74Å; R198-E205 IonicContact NE-OE1 3.47Å; R198-E205 PolarHBondContact NE-OE1 3.19Å; R198-E205 IonicContact NH2-OE1 3.54Å; R198-E205 PolarHBondContact NH2-OE1 3.07Å; R198-E205 VanDerWaalsContact NH2-OE1 3.09Å; S199-E205 WeakPolarHBondContact CA-OE2 3.42Å; S199-E205 PolarHBondContact N-OE2 3.03Å; S199-E205 VanDerWaalsContact N-OE2 3.15Å; H202-E205 HydrophobicContact CB-CB 4.39Å; H202-E205 PolarHBondContact O-N 3.29Å; P203-E205 PolarHBondContact O-N 2.88Å; E205-G207 VanDerWaalsContact C-N 3.34Å; E205-K208 PolarHBondContact O-N 3.03Å; E205-R209 VanDerWaalsContact O-CB 3.26Å; E205-R209 WeakPolarHBondContact O-CB 3.3Å; E205-R209 PolarHBondContact O-N 3.22Å
206	V	83.8	Confident	86.5	Confident	27 Å²	27	57.6 Å²	57.6	16%	0.164	29%	0.29	C	S	.	.	H	α-helix	trans	-64	-41.2	170.5	171.8	0	0	0	0	110.5	K200 H202 R210	K200-V206 WeakPolarHBondContact O-CG2 3.33Å; H202-V206 WeakPolarHBondContact O-CB 3.22Å; H202-V206 VanDerWaalsContact O-CG2 3.26Å; H202-V206 WeakPolarHBondContact O-CG2 3.33Å; H202-V206 PolarHBondContact O-N 3.37Å; V206-R210 VanDerWaalsContact O-CB 3.23Å; V206-R210 WeakPolarHBondContact O-CB 3.45Å; V206-R210 PolarHBondContact O-N 3.02Å
207	G	83.2	Confident	86.7	Confident	37 Å²	37	58.7 Å²	58.7	38%	0.381	30%	0.296	S	S	.	.	H	α-helix	trans	-59.5	-52.5	173.4	0	0	0	0	0	111.8	P203 D204 E205 R210 Q211	P203-G207 PolarHBondContact O-N 3.16Å; D204-G207 PolarHBondContact O-N 3.46Å; E205-G207 VanDerWaalsContact C-N 3.34Å; G207-R210 PolarHBondContact O-N 2.99Å; G207-Q211 PolarHBondContact O-N 2.58Å
208	K	86.7	Confident	86.7	Confident	128 Å²	128	61.2 Å²	61.2	56%	0.557	31%	0.308	S	S	*	.	H	α-helix	trans	-58.6	-49.7	177.1	-178.6	175.3	172.8	178.1	0	112.5	D204 E205 R210 Q211 E212	D204-K208 WeakPolarHBondContact O-CB 3.25Å; D204-K208 PolarHBondContact O-N 3.33Å; E205-K208 PolarHBondContact O-N 3.03Å; K208-R210 VanDerWaalsContact C-N 3.31Å; K208-R210 PolarHBondContact O-N 2.92Å; K208-Q211 WeakPolarHBondContact O-CB 3.47Å; K208-Q211 PolarHBondContact O-N 3.38Å; K208-Q211 VanDerWaalsContact O-N 3.1Å; K208-E212 WeakPolarHBondContact CE-OE1 3.36Å; K208-E212 IonicContact NZ-OE1 2.69Å; K208-E212 WeakPolarHBondContact O-CG 3.31Å; K208-E212 PolarHBondContact O-N 2.89Å
209	R	83.8	Confident	86.9	Confident	110 Å²	110	60.5 Å²	60.5	42%	0.415	31%	0.309	S	S	.	.	H	α-helix	trans	-59.4	-40.7	176.8	175.3	-179.2	-82.2	173.8	-12.9	111.9	S199 E205 Q211 E212 A213	S199-R209 VanDerWaalsContact CB-CZ 3.43Å; S199-R209 PolarHBondContact O-NH1 3.19Å; S199-R209 PolarHBondContact OG-NE 3.38Å; S199-R209 VanDerWaalsContact OG-NE 3.09Å; S199-R209 PolarHBondContact OG-NH1 3.35Å; S199-R209 PolarHBondContact OG-NH2 2.77Å; E205-R209 VanDerWaalsContact O-CB 3.26Å; E205-R209 WeakPolarHBondContact O-CB 3.3Å; E205-R209 PolarHBondContact O-N 3.22Å; R209-Q211 VanDerWaalsContact C-N 3.32Å; R209-E212 PolarHBondContact O-N 3.23Å; R209-A213 VanDerWaalsContact O-CB 3.31Å; R209-A213 WeakPolarHBondContact O-CB 3.43Å; R209-A213 PolarHBondContact O-N 3.37Å
210	R	84	Confident	87.2	Confident	179 Å²	179	59.9 Å²	59.9	68%	0.675	30%	0.304	S	S	*	.	H	α-helix	trans	-64.5	-38	175.9	-171.6	-175.4	-61.6	-178.9	1.2	111.4	V206 G207 K208 R214	V206-R210 VanDerWaalsContact O-CB 3.23Å; V206-R210 WeakPolarHBondContact O-CB 3.45Å; V206-R210 PolarHBondContact O-N 3.02Å; G207-R210 PolarHBondContact O-N 2.99Å; K208-R210 VanDerWaalsContact C-N 3.31Å; K208-R210 PolarHBondContact O-N 2.92Å; R210-R214 VanDerWaalsContact O-CB 3.27Å; R210-R214 WeakPolarHBondContact O-CB 3.2Å; R210-R214 PolarHBondContact O-N 2.91Å
211	Q	85	Confident	87.5	Confident	128 Å²	128	58.8 Å²	58.8	60%	0.598	30%	0.3	S	S	*	.	H	α-helix	trans	-68.5	-44	175.3	-173.3	176.9	9.9	0	0	112.2	G207 K208 R209 R214 G215	G207-Q211 PolarHBondContact O-N 2.58Å; K208-Q211 WeakPolarHBondContact O-CB 3.47Å; K208-Q211 PolarHBondContact O-N 3.38Å; K208-Q211 VanDerWaalsContact O-N 3.1Å; R209-Q211 VanDerWaalsContact C-N 3.32Å; Q211-R214 PolarHBondContact O-N 3.22Å; Q211-G215 PolarHBondContact O-N 3.34Å
212	E	86.7	Confident	87.6	Confident	104 Å²	104	66.8 Å²	66.8	49%	0.486	33%	0.33	S	S	.	.	H	α-helix	trans	-60.6	-47.6	174.9	-72.3	174.1	178	0	0	111.1	K208 R209 R214 G215 G216	K208-E212 WeakPolarHBondContact CE-OE1 3.36Å; K208-E212 IonicContact NZ-OE1 2.69Å; K208-E212 WeakPolarHBondContact O-CG 3.31Å; K208-E212 PolarHBondContact O-N 2.89Å; R209-E212 PolarHBondContact O-N 3.23Å; E212-R214 PolarHBondContact O-N 3.42Å; E212-G215 PolarHBondContact O-N 3.35Å; E212-G216 PolarHBondContact O-N 3.15Å
213	A	85.4	Confident	87.7	Confident	55 Å²	55	66.5 Å²	66.5	46%	0.455	33%	0.329	S	S	.	.	H	α-helix	trans	-60.4	-45.4	175	0	0	0	0	0	112.1	R209 G215 G216 L217	R209-A213 VanDerWaalsContact O-CB 3.31Å; R209-A213 WeakPolarHBondContact O-CB 3.43Å; R209-A213 PolarHBondContact O-N 3.37Å; A213-G215 VanDerWaalsContact C-N 3.33Å; A213-G215 PolarHBondContact O-N 3.44Å; A213-G216 PolarHBondContact O-N 2.86Å; A213-L217 VanDerWaalsContact O-CG 3.31Å; A213-L217 WeakPolarHBondContact O-CG 3.29Å; A213-L217 PolarHBondContact O-N 2.57Å
214	R	86.3	Confident	87.9	Confident	78 Å²	78	64.7 Å²	64.7	29%	0.294	32%	0.317	S	S	.	.	H	α-helix	trans	-61.5	-39.3	175.8	-173.4	174.3	65.9	96	-3.7	112	R210 Q211 E212 L217 Q218	R210-R214 VanDerWaalsContact O-CB 3.27Å; R210-R214 WeakPolarHBondContact O-CB 3.2Å; R210-R214 PolarHBondContact O-N 2.91Å; Q211-R214 PolarHBondContact O-N 3.22Å; E212-R214 PolarHBondContact O-N 3.42Å; R214-L217 PolarHBondContact O-N 3.47Å; R214-Q218 HydrophobicContact CG-CG 4.47Å; R214-Q218 WeakPolarHBondContact O-CB 3.29Å; R214-Q218 VanDerWaalsContact O-CG 3.3Å; R214-Q218 WeakPolarHBondContact O-CG 3.36Å; R214-Q218 PolarHBondContact O-N 2.87Å
215	G	87.8	Confident	88.2	Confident	36 Å²	36	62.7 Å²	62.7	37%	0.371	31%	0.306	S	S	.	.	H	α-helix	trans	-62.8	-43	174.4	0	0	0	0	0	112.7	Q211 E212 A213 Q218 N219	Q211-G215 PolarHBondContact O-N 3.34Å; E212-G215 PolarHBondContact O-N 3.35Å; A213-G215 VanDerWaalsContact C-N 3.33Å; A213-G215 PolarHBondContact O-N 3.44Å; G215-Q218 PolarHBondContact O-N 3.3Å; G215-N219 PolarHBondContact O-N 2.83Å
216	G	88.5	Confident	88.5	Confident	14 Å²	14	62 Å²	62	14%	0.144	31%	0.307	C	S	.	.	H	α-helix	trans	-61.2	-46.3	173.3	0	0	0	0	0	112.8	E212 A213 N219 R220	E212-G216 PolarHBondContact O-N 3.15Å; A213-G216 PolarHBondContact O-N 2.86Å; G216-N219 WeakPolarHBondContact O-CB 3.37Å; G216-N219 PolarHBondContact O-N 3.41Å; G216-R220 WeakPolarHBondContact O-CG 3.45Å; G216-R220 PolarHBondContact O-N 3.01Å
217	L	90	Very high	88.8	Confident	32 Å²	32	60.8 Å²	60.8	17%	0.168	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-40.1	175.9	-65.4	171.4	0	0	0	112.3	A213 R214 R220 L221 T535 L537 V619	A213-L217 VanDerWaalsContact O-CG 3.31Å; A213-L217 WeakPolarHBondContact O-CG 3.29Å; A213-L217 PolarHBondContact O-N 2.57Å; R214-L217 PolarHBondContact O-N 3.47Å; L217-R220 PolarHBondContact O-N 3.3Å; L217-L221 WeakPolarHBondContact O-CB 3.22Å; L217-L221 PolarHBondContact O-N 2.94Å; L217-T535 HydrophobicContact CD1-CG2 3.59Å; L217-L537 HydrophobicContact CB-CD1 3.54Å; L217-L537 HydrophobicContact CD1-CD1 4.42Å; L217-V619 WeakPolarHBondContact CD2-O 3.23Å
218	Q	90	Very high	89.1	Confident	53 Å²	53	61.5 Å²	61.5	25%	0.248	29%	0.294	C	S	.	.	H	α-helix	trans	-65.3	-36.7	175	-77.2	-178.1	-25.3	0	0	112.3	R214 G215 R222 L537	R214-Q218 HydrophobicContact CG-CG 4.47Å; R214-Q218 WeakPolarHBondContact O-CB 3.29Å; R214-Q218 VanDerWaalsContact O-CG 3.3Å; R214-Q218 WeakPolarHBondContact O-CG 3.36Å; R214-Q218 PolarHBondContact O-N 2.87Å; G215-Q218 PolarHBondContact O-N 3.3Å; Q218-R222 PolarHBondContact O-N 3.2Å; Q218-L537 HydrophobicContact CG-CD1 4.45Å
219	N	91.6	Very high	89.2	Confident	44 Å²	44	63 Å²	63	24%	0.235	30%	0.303	C	S	.	.	H	α-helix	trans	-64	-47	171.9	-171.2	39	0	0	0	111	G215 G216 L221 R222 V223 M257	G215-N219 PolarHBondContact O-N 2.83Å; G216-N219 WeakPolarHBondContact O-CB 3.37Å; G216-N219 PolarHBondContact O-N 3.41Å; N219-L221 VanDerWaalsContact C-N 3.34Å; N219-L221 PolarHBondContact O-N 2.86Å; N219-R222 WeakPolarHBondContact O-CB 3.35Å; N219-R222 PolarHBondContact O-N 2.88Å; N219-V223 WeakPolarHBondContact O-CG2 3.46Å; N219-V223 PolarHBondContact O-N 3.32Å; N219-M257 PolarHBondContact ND2-O 3.4Å
220	R	92.6	Very high	89.4	Confident	4 Å²	4	61.2 Å²	61.2	2%	0.015	30%	0.304	C	S	.	.	H	α-helix	trans	-59.7	-40.8	175.9	-71.4	166	167.9	-109.4	3.1	112.8	G216 L217 V223 F224 M257 I618 V619 S621 D634 R639	G216-R220 WeakPolarHBondContact O-CG 3.45Å; G216-R220 PolarHBondContact O-N 3.01Å; L217-R220 PolarHBondContact O-N 3.3Å; R220-V223 PolarHBondContact O-N 3.14Å; R220-F224 WeakPolarHBondContact O-CB 3.44Å; R220-F224 PolarHBondContact O-N 3.18Å; R220-M257 HydrophobicContact CG-CG 4.42Å; R220-M257 HydrophobicContact CG-SD 3.6Å; R220-M257 VanDerWaalsContact CG-SD 3.6Å; R220-I618 WeakPolarHBondContact CD-O 3.42Å; R220-I618 PolarHBondContact NH1-O 2.92Å; R220-V619 WeakPolarHBondContact CD-O 3.46Å; R220-S621 PolarHBondContact NH1-OG 3.49Å; R220-D634 IonicContact CZ-OD1 2.67Å; R220-D634 IonicContact NE-OD1 2.83Å; R220-D634 PolarHBondContact NE-OD1 2.9Å; R220-D634 IonicContact NH2-OD1 3.9Å; R220-D634 PolarHBondContact NH2-OD1 3.05Å; R220-R639 PolarHBondContact NH2-O 2.94Å
221	L	92.3	Very high	89.5	Confident	15 Å²	15	54 Å²	54	8%	0.079	29%	0.285	C	S	.	.	H	α-helix	trans	-60.8	-48.1	173.8	179.2	64.8	0	0	0	111.5	L217 N219 V223 F224 L225 L537 W538 Y615 V619	L217-L221 WeakPolarHBondContact O-CB 3.22Å; L217-L221 PolarHBondContact O-N 2.94Å; N219-L221 VanDerWaalsContact C-N 3.34Å; N219-L221 PolarHBondContact O-N 2.86Å; L221-V223 VanDerWaalsContact C-N 3.3Å; L221-V223 PolarHBondContact O-N 2.85Å; L221-F224 PolarHBondContact O-N 2.98Å; L221-L225 HydrophobicContact CD1-CD1 4.28Å; L221-L225 HydrophobicContact CD1-CG 4.29Å; L221-L225 HydrophobicContact CG-CD1 4.12Å; L221-L225 WeakPolarHBondContact O-CG 3.48Å; L221-L225 PolarHBondContact O-N 3.33Å; L221-L537 HydrophobicContact CB-CD2 4.15Å; L221-L537 HydrophobicContact CD1-CD2 4.24Å; L221-L537 HydrophobicContact CD2-CD2 3.85Å; L221-L537 HydrophobicContact CD2-CG 4.02Å; L221-L537 HydrophobicContact CG-CD2 4.3Å; L221-W538 HydrophobicContact CD1-CH2 4Å; L221-W538 HydrophobicContact CD1-CZ2 3.64Å; L221-W538 HydrophobicContact CD2-CD2 4.35Å; L221-W538 HydrophobicContact CD2-CE3 4.45Å; L221-W538 HydrophobicContact CD2-CH2 4.21Å; L221-W538 HydrophobicContact CD2-CZ2 4.1Å; L221-W538 HydrophobicContact CD2-CZ3 4.38Å; L221-W538 HydrophobicContact CG-CZ2 4.46Å; L221-Y615 HydrophobicContact CD1-CE2 3.64Å; L221-V619 HydrophobicContact CB-CG1 4.29Å; L221-V619 HydrophobicContact CD1-CG2 4.39Å
222	R	91.7	Very high	89.6	Confident	174 Å²	174	51.4 Å²	51.4	66%	0.657	27%	0.27	S	S	*	.	H	α-helix	trans	-58.2	-43.2	177.3	-172.8	-169.6	-61.9	153.1	-0.9	111.6	Q218 N219 L225 S226	Q218-R222 PolarHBondContact O-N 3.2Å; N219-R222 WeakPolarHBondContact O-CB 3.35Å; N219-R222 PolarHBondContact O-N 2.88Å; R222-L225 PolarHBondContact O-N 2.89Å; R222-S226 WeakPolarHBondContact O-CB 3.31Å; R222-S226 PolarHBondContact O-N 3.36Å
223	V	92.1	Very high	89.5	Confident	9 Å²	9	46.9 Å²	46.9	6%	0.055	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-45.4	175.4	171.8	0	0	0	0	111.4	N219 R220 L221 L225 S226 L227 A253 K256 M257	N219-V223 WeakPolarHBondContact O-CG2 3.46Å; N219-V223 PolarHBondContact O-N 3.32Å; R220-V223 PolarHBondContact O-N 3.14Å; L221-V223 VanDerWaalsContact C-N 3.3Å; L221-V223 PolarHBondContact O-N 2.85Å; V223-L225 PolarHBondContact O-N 3.43Å; V223-S226 PolarHBondContact O-N 3.3Å; V223-L227 HydrophobicContact CG1-CD1 3.99Å; V223-L227 HydrophobicContact CG1-CG 4.45Å; V223-L227 WeakPolarHBondContact O-CG 2.96Å; V223-L227 PolarHBondContact O-N 3.03Å; V223-A253 HydrophobicContact CG1-CB 4.31Å; V223-K256 HydrophobicContact CB-CB 4.38Å; V223-K256 HydrophobicContact CG1-CB 3.63Å; V223-K256 HydrophobicContact CG2-CB 3.89Å; V223-M257 HydrophobicContact CB-CG 4.32Å; V223-M257 HydrophobicContact CG1-CG 4.27Å; V223-M257 HydrophobicContact CG2-CG 3.99Å
224	F	93.5	Very high	89.4	Confident	1 Å²	1	48.2 Å²	48.2	0%	0.004	25%	0.248	C	C	.	.	H	α-helix	trans	-58.9	-46	177.1	177.4	-89.2	0	0	0	112.2	R220 L221 L227 M228 F233 I557 L614 Y615 I618 V619	R220-F224 WeakPolarHBondContact O-CB 3.44Å; R220-F224 PolarHBondContact O-N 3.18Å; L221-F224 PolarHBondContact O-N 2.98Å; F224-L227 PolarHBondContact O-N 3.49Å; F224-M228 HydrophobicContact CE1-SD 4.21Å; F224-M228 WeakPolarHBondContact O-CB 3.47Å; F224-M228 PolarHBondContact O-N 3.01Å; F224-F233 AromaticContact CD2-CE2 3.92Å; F224-F233 HydrophobicContact CD2-CE2 3.92Å; F224-F233 AromaticContact CD2-CZ 3.77Å; F224-F233 HydrophobicContact CD2-CZ 3.77Å; F224-F233 HydrophobicContact CE1-CE2 4.42Å; F224-F233 HydrophobicContact CE2-CD2 4.46Å; F224-F233 AromaticContact CE2-CE2 3.57Å; F224-F233 HydrophobicContact CE2-CE2 3.57Å; F224-F233 AromaticContact CE2-CZ 3.69Å; F224-F233 HydrophobicContact CE2-CZ 3.69Å; F224-F233 HydrophobicContact CG-CE2 4.48Å; F224-F233 HydrophobicContact CZ-CD2 4.49Å; F224-F233 AromaticContact CZ-CE2 3.85Å; F224-F233 HydrophobicContact CZ-CE2 3.85Å; F224-F233 HydrophobicContact CZ-CZ 4.43Å; F224-I557 HydrophobicContact CE1-CG2 4.09Å; F224-I557 HydrophobicContact CZ-CG2 4.36Å; F224-L614 HydrophobicContact CE2-CB 4.22Å; F224-Y615 AromaticContact CD1-CD2 3.77Å; F224-Y615 HydrophobicContact CD1-CD2 3.77Å; F224-Y615 HydrophobicContact CD1-CE2 4.38Å; F224-Y615 AromaticContact CE1-CD2 3.67Å; F224-Y615 HydrophobicContact CE1-CD2 3.67Å; F224-Y615 HydrophobicContact CE2-CD2 4.41Å; F224-Y615 HydrophobicContact CG-CD2 4.21Å; F224-Y615 HydrophobicContact CZ-CD2 4Å; F224-Y615 HydrophobicContact CZ-CG 4.45Å; F224-I618 HydrophobicContact CB-CG2 4.32Å; F224-I618 HydrophobicContact CD2-CB 4.37Å; F224-I618 HydrophobicContact CD2-CD1 4.12Å; F224-V619 HydrophobicContact CB-CG2 3.83Å; F224-V619 HydrophobicContact CG-CG2 4.1Å
225	L	91.8	Very high	89.1	Confident	37 Å²	37	51.3 Å²	51.3	19%	0.194	27%	0.271	C	S	.	.	H	α-helix	trans	-64.3	-43.6	178.3	-66.5	173.9	0	0	0	111.7	L221 R222 V223 L227 M228 E229 W538 P556	L221-L225 HydrophobicContact CD1-CD1 4.28Å; L221-L225 HydrophobicContact CD1-CG 4.29Å; L221-L225 HydrophobicContact CG-CD1 4.12Å; L221-L225 WeakPolarHBondContact O-CG 3.48Å; L221-L225 PolarHBondContact O-N 3.33Å; R222-L225 PolarHBondContact O-N 2.89Å; V223-L225 PolarHBondContact O-N 3.43Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L225-L227 PolarHBondContact O-N 2.89Å; L225-M228 HydrophobicContact CD2-CE 3.75Å; L225-M228 WeakPolarHBondContact O-CB 3.44Å; L225-M228 PolarHBondContact O-N 2.91Å; L225-M228 VanDerWaalsContact O-N 3.1Å; L225-E229 WeakPolarHBondContact O-CG 3.47Å; L225-E229 PolarHBondContact O-N 2.89Å; L225-W538 HydrophobicContact CD1-CH2 4.04Å; L225-W538 HydrophobicContact CD1-CZ3 4.42Å; L225-W538 HydrophobicContact CD2-CH2 4.25Å; L225-P556 HydrophobicContact CD2-CG 4.11Å
226	S	91.1	Very high	89	Confident	36 Å²	36	50.2 Å²	50.2	25%	0.252	26%	0.256	S	S	.	.	H	α-helix	trans	-60.9	-39.3	175.3	178.4	0	0	0	0	112.8	R222 V223 M228 T230	R222-S226 WeakPolarHBondContact O-CB 3.31Å; R222-S226 PolarHBondContact O-N 3.36Å; V223-S226 PolarHBondContact O-N 3.3Å; S226-M228 VanDerWaalsContact C-N 3.34Å; S226-T230 WeakPolarHBondContact O-CB 3.41Å; S226-T230 WeakPolarHBondContact O-CG2 3.47Å; S226-T230 PolarHBondContact O-N 3.07Å; S226-T230 VanDerWaalsContact O-N 3.13Å; S226-T230 PolarHBondContact O-OG1 3.4Å
227	L	89.9	Confident	89.1	Confident	2 Å²	2	50 Å²	50	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-69.7	-30.5	174.5	-70.4	173.7	0	0	0	112.9	V223 F224 L225 T230 G231 W232 F233 A252 A253	V223-L227 HydrophobicContact CG1-CD1 3.99Å; V223-L227 HydrophobicContact CG1-CG 4.45Å; V223-L227 WeakPolarHBondContact O-CG 2.96Å; V223-L227 PolarHBondContact O-N 3.03Å; F224-L227 PolarHBondContact O-N 3.49Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L225-L227 PolarHBondContact O-N 2.89Å; L227-T230 WeakPolarHBondContact CA-OG1 3.13Å; L227-T230 PolarHBondContact O-OG1 2.78Å; L227-G231 PolarHBondContact O-N 3.05Å; L227-W232 HydrophobicContact CD2-CB 4.45Å; L227-W232 HydrophobicContact CD2-CD2 4.39Å; L227-W232 HydrophobicContact CD2-CG 4.03Å; L227-W232 PolarHBondContact O-N 3.2Å; L227-W232 VanDerWaalsContact O-N 3.13Å; L227-F233 HydrophobicContact CB-CE1 4.32Å; L227-F233 HydrophobicContact CB-CE2 4.16Å; L227-F233 HydrophobicContact CB-CZ 3.73Å; L227-A252 HydrophobicContact CD2-CB 4.28Å; L227-A253 HydrophobicContact CD1-CB 3.74Å
228	M	89.5	Confident	89.2	Confident	53 Å²	53	48.6 Å²	48.6	26%	0.261	25%	0.245	S	C	.	.	H	α-helix	trans	-70.3	-46.6	174.7	-169.6	174.3	67.6	0	0	111.6	F224 L225 S226 T230 G231 F233 P556 I557	F224-M228 HydrophobicContact CE1-SD 4.21Å; F224-M228 WeakPolarHBondContact O-CB 3.47Å; F224-M228 PolarHBondContact O-N 3.01Å; L225-M228 HydrophobicContact CD2-CE 3.75Å; L225-M228 WeakPolarHBondContact O-CB 3.44Å; L225-M228 PolarHBondContact O-N 2.91Å; L225-M228 VanDerWaalsContact O-N 3.1Å; S226-M228 VanDerWaalsContact C-N 3.34Å; M228-T230 VanDerWaalsContact C-N 3.29Å; M228-T230 PolarHBondContact O-N 3.48Å; M228-G231 PolarHBondContact O-N 3.44Å; M228-G231 VanDerWaalsContact O-N 3.13Å; M228-F233 HydrophobicContact CB-CD2 3.91Å; M228-F233 HydrophobicContact CB-CE2 3.82Å; M228-F233 HydrophobicContact CG-CD2 4.16Å; M228-F233 HydrophobicContact CG-CE2 4.48Å; M228-P556 HydrophobicContact CE-CG 4.21Å; M228-I557 HydrophobicContact SD-CG2 4.11Å
229	E	89.7	Confident	89.3	Confident	158 Å²	158	46.6 Å²	46.6	74%	0.738	24%	0.236	S	C	*	.	H	α-helix	trans	-64.2	-33.3	178.3	-72	168.1	-175.1	0	0	112.5	L225 G231	L225-E229 WeakPolarHBondContact O-CG 3.47Å; L225-E229 PolarHBondContact O-N 2.89Å; E229-G231 VanDerWaalsContact C-N 3.28Å; E229-G231 PolarHBondContact O-N 2.81Å
230	T	87.6	Confident	89.3	Confident	73 Å²	73	46.3 Å²	46.3	45%	0.448	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	5.8	175.8	50.6	0	0	0	0	113.9	S226 L227 M228 W232	S226-T230 WeakPolarHBondContact O-CB 3.41Å; S226-T230 WeakPolarHBondContact O-CG2 3.47Å; S226-T230 PolarHBondContact O-N 3.07Å; S226-T230 VanDerWaalsContact O-N 3.13Å; S226-T230 PolarHBondContact O-OG1 3.4Å; L227-T230 WeakPolarHBondContact CA-OG1 3.13Å; L227-T230 PolarHBondContact O-OG1 2.78Å; M228-T230 VanDerWaalsContact C-N 3.29Å; M228-T230 PolarHBondContact O-N 3.48Å; T230-W232 PolarHBondContact O-N 3.09Å; T230-W232 VanDerWaalsContact OG1-CD1 3.29Å
231	G	86.9	Confident	89.2	Confident	27 Å²	27	52.9 Å²	52.9	28%	0.278	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	12.5	170.5	0	0	0	0	0	116.2	L227 M228 E229 F233 D234	L227-G231 PolarHBondContact O-N 3.05Å; M228-G231 PolarHBondContact O-N 3.44Å; M228-G231 VanDerWaalsContact O-N 3.13Å; E229-G231 VanDerWaalsContact C-N 3.28Å; E229-G231 PolarHBondContact O-N 2.81Å; G231-F233 PolarHBondContact O-N 2.88Å; G231-D234 PolarHBondContact O-N 2.96Å
232	W	86.5	Confident	89.1	Confident	75 Å²	75	55.6 Å²	55.6	28%	0.284	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.2	-177.6	-82.4	74.3	0	0	0	114	L227 T230 K248 M249 A252 L265 L268	L227-W232 HydrophobicContact CD2-CB 4.45Å; L227-W232 HydrophobicContact CD2-CD2 4.39Å; L227-W232 HydrophobicContact CD2-CG 4.03Å; L227-W232 PolarHBondContact O-N 3.2Å; L227-W232 VanDerWaalsContact O-N 3.13Å; T230-W232 PolarHBondContact O-N 3.09Å; T230-W232 VanDerWaalsContact OG1-CD1 3.29Å; W232-K248 HydrophobicContact CZ3-CG 4.29Å; W232-M249 HydrophobicContact CE3-CB 4.45Å; W232-A252 HydrophobicContact CE3-CB 4.18Å; W232-A252 HydrophobicContact CH2-CB 4.01Å; W232-A252 HydrophobicContact CZ2-CB 4.4Å; W232-A252 HydrophobicContact CZ3-CB 3.89Å; W232-L265 HydrophobicContact CZ2-CD1 4.16Å; W232-L268 HydrophobicContact CH2-CD1 4.4Å
233	F	85.8	Confident	89	Confident	9 Å²	9	48.3 Å²	48.3	4%	0.039	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-15.6	-177.2	-56.1	-39.8	0	0	0	114.6	F224 L227 M228 G231 N235 L236 M249 L614 I618	F224-F233 AromaticContact CD2-CE2 3.92Å; F224-F233 HydrophobicContact CD2-CE2 3.92Å; F224-F233 AromaticContact CD2-CZ 3.77Å; F224-F233 HydrophobicContact CD2-CZ 3.77Å; F224-F233 HydrophobicContact CE1-CE2 4.42Å; F224-F233 HydrophobicContact CE2-CD2 4.46Å; F224-F233 AromaticContact CE2-CE2 3.57Å; F224-F233 HydrophobicContact CE2-CE2 3.57Å; F224-F233 AromaticContact CE2-CZ 3.69Å; F224-F233 HydrophobicContact CE2-CZ 3.69Å; F224-F233 HydrophobicContact CG-CE2 4.48Å; F224-F233 HydrophobicContact CZ-CD2 4.49Å; F224-F233 AromaticContact CZ-CE2 3.85Å; F224-F233 HydrophobicContact CZ-CE2 3.85Å; F224-F233 HydrophobicContact CZ-CZ 4.43Å; L227-F233 HydrophobicContact CB-CE1 4.32Å; L227-F233 HydrophobicContact CB-CE2 4.16Å; L227-F233 HydrophobicContact CB-CZ 3.73Å; M228-F233 HydrophobicContact CB-CD2 3.91Å; M228-F233 HydrophobicContact CB-CE2 3.82Å; M228-F233 HydrophobicContact CG-CD2 4.16Å; M228-F233 HydrophobicContact CG-CE2 4.48Å; G231-F233 PolarHBondContact O-N 2.88Å; F233-N235 PolarHBondContact O-N 2.98Å; F233-L236 PolarHBondContact O-N 3.15Å; F233-M249 HydrophobicContact CD1-CG 4.41Å; F233-M249 HydrophobicContact CE1-CG 4.11Å; F233-M249 HydrophobicContact CE1-SD 3.86Å; F233-L614 HydrophobicContact CD1-CD1 3.73Å; F233-L614 HydrophobicContact CE1-CD1 4.13Å; F233-L614 HydrophobicContact CG-CD1 4.32Å; F233-I618 HydrophobicContact CE1-CD1 4.33Å; F233-I618 HydrophobicContact CZ-CD1 4.28Å
234	D	81.3	Confident	89	Confident	83 Å²	83	51.4 Å²	51.4	44%	0.444	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-23.5	-164.8	-67	-36	0	0	0	114.8	G231 K611	G231-D234 PolarHBondContact O-N 2.96Å; D234-K611 IonicContact OD1-NZ 3.93Å; D234-K611 PolarHBondContact OD1-NZ 2.83Å
235	N	79.9	Confident	88.9	Confident	143 Å²	143	53.5 Å²	53.5	77%	0.765	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-5	176.6	-69.1	-51.4	0	0	0	113.8	F233 K242	F233-N235 PolarHBondContact O-N 2.98Å; N235-K242 PolarHBondContact O-NZ 2.84Å
236	L	87.6	Confident	88.8	Confident	13 Å²	13	51.8 Å²	51.8	7%	0.068	28%	0.282	C	S	.	.			trans	-81.5	138.4	-178.7	-167.5	61.8	0	0	0	110.1	F233 A245 I246 M249 L614	F233-L236 PolarHBondContact O-N 3.15Å; L236-A245 HydrophobicContact CD1-CB 3.91Å; L236-I246 HydrophobicContact CD1-CG1 3.8Å; L236-I246 HydrophobicContact CG-CG1 4.46Å; L236-M249 HydrophobicContact CD2-CB 3.98Å; L236-M249 HydrophobicContact CD2-CE 3.79Å; L236-M249 HydrophobicContact CD2-CG 3.86Å; L236-L614 HydrophobicContact CD2-CD1 4.08Å
237	L	90.6	Very high	88.9	Confident	10 Å²	10	51 Å²	51	5%	0.052	28%	0.276	C	S	.	.			trans	-131.4	140.7	167	-58	169.7	0	0	0	108.3	D239 K242 I606 K607 D610	L237-D239 PolarHBondContact O-N 2.98Å; L237-K242 HydrophobicContact CB-CD 3.98Å; L237-K242 HydrophobicContact CG-CD 4.49Å; L237-I606 HydrophobicContact CD2-CG2 3.99Å; L237-K607 HydrophobicContact CD2-CG 3.86Å; L237-D610 WeakPolarHBondContact CA-OD2 3.45Å
238	L	91.8	Very high	89	Confident	2 Å²	2	53 Å²	53	1%	0.01	29%	0.285	C	S	.	.			trans	-80.3	54.8	179	-60.5	178.8	0	0	0	112.8	I246 D610 L613 L614 I643 V645 R646	L238-I246 HydrophobicContact CD2-CD1 4.07Å; L238-I246 HydrophobicContact CD2-CG1 4.25Å; L238-I246 HydrophobicContact CD2-CG2 4.35Å; L238-D610 WeakPolarHBondContact CB-OD1 3.4Å; L238-D610 HydrophobicContact CD1-CB 4.27Å; L238-D610 HydrophobicContact CG-CB 4.16Å; L238-D610 WeakPolarHBondContact CG-OD1 3.47Å; L238-D610 PolarHBondContact N-OD2 3.03Å; L238-L613 HydrophobicContact CD1-CB 3.7Å; L238-L613 HydrophobicContact CD1-CD1 4.19Å; L238-L613 HydrophobicContact CD1-CG 4.5Å; L238-L614 HydrophobicContact CD1-CG 4.36Å; L238-L614 HydrophobicContact CD2-CD2 4Å; L238-L614 HydrophobicContact CD2-CG 4.42Å; L238-I643 HydrophobicContact CD2-CD1 4.13Å; L238-V645 HydrophobicContact CB-CG1 4.48Å; L238-V645 WeakPolarHBondContact O-CB 3.29Å; L238-R646 VanDerWaalsContact N-NH2 3.2Å; L238-R646 PolarHBondContact O-N 2.99Å
239	D	92.1	Very high	89.1	Confident	11 Å²	11	50.7 Å²	50.7	6%	0.059	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-106.6	147.5	174.4	-73.5	-56.1	0	0	0	110.9	L237 D241 K242 R601 R646	L237-D239 PolarHBondContact O-N 2.98Å; D239-D241 PolarHBondContact O-N 3.35Å; D239-K242 PolarHBondContact O-N 3.21Å; D239-R601 IonicContact OD2-CZ 2.66Å; D239-R601 IonicContact OD2-NH2 3.16Å; D239-R601 PolarHBondContact OD2-NH2 3.1Å; D239-R646 IonicContact OD1-CZ 2.84Å; D239-R646 IonicContact OD1-NH1 2.85Å; D239-R646 PolarHBondContact OD1-NH1 3.19Å; D239-R646 IonicContact OD2-CZ 2.94Å; D239-R646 IonicContact OD2-NH1 3.69Å; D239-R646 PolarHBondContact OD2-NH1 3.21Å
240	I	91.9	Very high	89.2	Confident	38 Å²	38	43.1 Å²	43.1	20%	0.195	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-57.9	-31.4	179.5	-170.6	59.1	0	0	0	113.4	K242 A243 V504 N506 V645 R646	I240-K242 PolarHBondContact O-N 2.9Å; I240-A243 VanDerWaalsContact O-CB 3.23Å; I240-A243 WeakPolarHBondContact O-CB 3.17Å; I240-A243 PolarHBondContact O-N 2.69Å; I240-A243 VanDerWaalsContact O-N 3.14Å; I240-V504 HydrophobicContact CD1-CG1 3.99Å; I240-N506 HydrophobicContact CB-CB 4.21Å; I240-N506 HydrophobicContact CD1-CB 4.06Å; I240-N506 HydrophobicContact CG1-CB 4.06Å; I240-V645 HydrophobicContact CB-CG2 4.15Å; I240-V645 HydrophobicContact CD1-CG2 4.04Å; I240-R646 PolarHBondContact N-O 2.85Å
241	D	89.6	Confident	89.4	Confident	142 Å²	142	39.8 Å²	39.8	76%	0.759	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-68.5	-22.8	179.1	-54.3	-41.2	0	0	0	112.5	D239	D239-D241 PolarHBondContact O-N 3.35Å
242	K	90.2	Very high	89.6	Confident	71 Å²	71	38.5 Å²	38.5	31%	0.309	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-97.2	13.3	175.1	-66	-164.1	-178.4	-177.3	0	113.4	N235 L237 D239 I240 D244 A245 I246	N235-K242 PolarHBondContact O-NZ 2.84Å; L237-K242 HydrophobicContact CB-CD 3.98Å; L237-K242 HydrophobicContact CG-CD 4.49Å; D239-K242 PolarHBondContact O-N 3.21Å; I240-K242 PolarHBondContact O-N 2.9Å; K242-D244 PolarHBondContact O-N 2.95Å; K242-A245 PolarHBondContact O-N 2.75Å; K242-I246 WeakPolarHBondContact O-CG1 3.38Å; K242-I246 PolarHBondContact O-N 3.46Å
243	A	90.3	Very high	89.9	Confident	22 Å²	22	35 Å²	35	18%	0.182	19%	0.19	C	C	.	.	H	α-helix	trans	-47.2	-42.1	-178.4	0	0	0	0	0	113.7	I240 A245 I246 V247 V504	I240-A243 VanDerWaalsContact O-CB 3.23Å; I240-A243 WeakPolarHBondContact O-CB 3.17Å; I240-A243 PolarHBondContact O-N 2.69Å; I240-A243 VanDerWaalsContact O-N 3.14Å; A243-A245 PolarHBondContact O-N 2.93Å; A243-I246 PolarHBondContact O-N 2.79Å; A243-V247 WeakPolarHBondContact O-CG2 3.49Å; A243-V247 PolarHBondContact O-N 2.72Å; A243-V504 HydrophobicContact CB-CB 3.88Å; A243-V504 HydrophobicContact CB-CG1 3.72Å; A243-V504 HydrophobicContact CB-CG2 4.09Å
244	D	90.6	Very high	90.2	Very high	74 Å²	74	34.9 Å²	34.9	40%	0.396	19%	0.191	S	C	.	.	H	α-helix	trans	-57.8	-42	176.7	-93.7	14.4	0	0	0	113.6	R49 R50 K242 K248	R49-D244 VanDerWaalsContact CZ-CG 3.44Å; R49-D244 IonicContact CZ-OD1 2.7Å; R49-D244 IonicContact CZ-OD2 3.93Å; R49-D244 IonicContact NE-OD1 3.59Å; R49-D244 IonicContact NH1-OD2 2.77Å; R49-D244 PolarHBondContact NH1-OD2 3.2Å; R49-D244 VanDerWaalsContact NH2-C 3.34Å; R49-D244 VanDerWaalsContact NH2-CA 3.32Å; R49-D244 VanDerWaalsContact NH2-CG 3.26Å; R49-D244 PolarHBondContact NH2-O 3.18Å; R49-D244 IonicContact NH2-OD1 3.41Å; R49-D244 IonicContact NH2-OD2 3.66Å; R50-D244 IonicContact CZ-OD1 3.52Å; R50-D244 IonicContact CZ-OD2 3.29Å; R50-D244 IonicContact NH2-OD1 2.73Å; R50-D244 PolarHBondContact NH2-OD1 2.91Å; R50-D244 IonicContact NH2-OD2 3.9Å; R50-D244 PolarHBondContact NH2-OD2 3.15Å; K242-D244 PolarHBondContact O-N 2.95Å; D244-K248 PolarHBondContact O-N 3.07Å
245	A	91.2	Very high	90.7	Very high	45 Å²	45	31 Å²	31	37%	0.372	17%	0.17	S	C	.	.	H	α-helix	trans	-76.3	-33.1	177.5	0	0	0	0	0	112	L236 K242 A243 K248 M249	L236-A245 HydrophobicContact CD1-CB 3.91Å; K242-A245 PolarHBondContact O-N 2.75Å; A243-A245 PolarHBondContact O-N 2.93Å; A245-K248 PolarHBondContact O-N 3.12Å; A245-M249 PolarHBondContact O-N 3.33Å
246	I	91.6	Very high	91.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.2	-44	176.5	-61.8	168.8	0	0	0	110.5	L236 L238 K242 A243 M249 L250 V504 I643 V645	L236-I246 HydrophobicContact CD1-CG1 3.8Å; L236-I246 HydrophobicContact CG-CG1 4.46Å; L238-I246 HydrophobicContact CD2-CD1 4.07Å; L238-I246 HydrophobicContact CD2-CG1 4.25Å; L238-I246 HydrophobicContact CD2-CG2 4.35Å; K242-I246 WeakPolarHBondContact O-CG1 3.38Å; K242-I246 PolarHBondContact O-N 3.46Å; A243-I246 PolarHBondContact O-N 2.79Å; I246-M249 PolarHBondContact O-N 2.97Å; I246-L250 HydrophobicContact CG2-CD1 4.37Å; I246-L250 WeakPolarHBondContact O-CG 3.44Å; I246-L250 PolarHBondContact O-N 3.25Å; I246-V504 HydrophobicContact CB-CG2 4.28Å; I246-V504 HydrophobicContact CG2-CG2 4.11Å; I246-I643 HydrophobicContact CG2-CD1 4.34Å; I246-I643 HydrophobicContact CG2-CG2 3.93Å; I246-V645 HydrophobicContact CD1-CG1 3.82Å
247	V	92.1	Very high	91.2	Very high	21 Å²	21	25.6 Å²	25.6	13%	0.127	14%	0.139	C	C	.	.	H	α-helix	trans	-63.6	-44.8	176	180	0	0	0	0	111.1	E48 A243 M249 L250 D251 R503 V504	E48-V247 HydrophobicContact CG-CG1 3.93Å; E48-V247 WeakPolarHBondContact OE1-CB 3.38Å; E48-V247 WeakPolarHBondContact OE1-CG1 3.46Å; A243-V247 WeakPolarHBondContact O-CG2 3.49Å; A243-V247 PolarHBondContact O-N 2.72Å; V247-M249 VanDerWaalsContact C-N 3.34Å; V247-M249 PolarHBondContact O-N 2.76Å; V247-L250 PolarHBondContact O-N 3.33Å; V247-D251 PolarHBondContact O-N 2.7Å; V247-R503 HydrophobicContact CG2-CB 4.44Å; V247-V504 HydrophobicContact CG2-CG2 3.65Å
248	K	91.6	Very high	91.1	Very high	44 Å²	44	27.4 Å²	27.4	19%	0.191	15%	0.147	C	C	.	.	H	α-helix	trans	-55.4	-45	175.2	-178.7	-179.5	170.1	160.6	0	112.5	W232 D244 A245 D251 A252 L268 E272	W232-K248 HydrophobicContact CZ3-CG 4.29Å; D244-K248 PolarHBondContact O-N 3.07Å; A245-K248 PolarHBondContact O-N 3.12Å; K248-D251 PolarHBondContact O-N 2.96Å; K248-A252 PolarHBondContact O-N 3.11Å; K248-L268 WeakPolarHBondContact CE-O 2.94Å; K248-L268 HydrophobicContact CG-CB 4.14Å; K248-L268 HydrophobicContact CG-CD2 4.45Å; K248-L268 PolarHBondContact NZ-O 3.45Å; K248-E272 IonicContact NZ-OE2 3.39Å; K248-E272 PolarHBondContact NZ-OE2 3.45Å
249	M	91.8	Very high	90.8	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.015	17%	0.174	C	C	.	.	H	α-helix	trans	-67.6	-42.7	176.6	178.3	-73.9	-55.2	0	0	112.1	W232 F233 L236 A245 I246 V247 D251 A252 A253 L614 I618	W232-M249 HydrophobicContact CE3-CB 4.45Å; F233-M249 HydrophobicContact CD1-CG 4.41Å; F233-M249 HydrophobicContact CE1-CG 4.11Å; F233-M249 HydrophobicContact CE1-SD 3.86Å; L236-M249 HydrophobicContact CD2-CB 3.98Å; L236-M249 HydrophobicContact CD2-CE 3.79Å; L236-M249 HydrophobicContact CD2-CG 3.86Å; A245-M249 PolarHBondContact O-N 3.33Å; I246-M249 PolarHBondContact O-N 2.97Å; V247-M249 VanDerWaalsContact C-N 3.34Å; V247-M249 PolarHBondContact O-N 2.76Å; M249-D251 VanDerWaalsContact C-N 3.27Å; M249-D251 PolarHBondContact O-N 2.94Å; M249-A252 WeakPolarHBondContact O-CB 3.35Å; M249-A252 PolarHBondContact O-N 2.94Å; M249-A252 VanDerWaalsContact O-N 3.17Å; M249-A253 PolarHBondContact O-N 3.29Å; M249-L614 HydrophobicContact CE-CD2 3.35Å; M249-L614 HydrophobicContact SD-CD2 4.42Å; M249-I618 HydrophobicContact CE-CD1 4.46Å; M249-I618 HydrophobicContact SD-CD1 3.86Å
250	L	92.2	Very high	90.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.7	-37.3	175.7	-71.3	178.1	0	0	0	111.6	I246 V247 A253 V254 I618 C640 I643	I246-L250 HydrophobicContact CG2-CD1 4.37Å; I246-L250 WeakPolarHBondContact O-CG 3.44Å; I246-L250 PolarHBondContact O-N 3.25Å; V247-L250 PolarHBondContact O-N 3.33Å; L250-A253 WeakPolarHBondContact O-CB 3.43Å; L250-A253 PolarHBondContact O-N 3.03Å; L250-V254 WeakPolarHBondContact O-CG2 3.39Å; L250-V254 PolarHBondContact O-N 3.33Å; L250-I618 HydrophobicContact CD2-CG1 4.44Å; L250-C640 HydrophobicContact CD2-CB 4.26Å; L250-I643 HydrophobicContact CD1-CB 4.22Å; L250-I643 HydrophobicContact CD1-CG2 3.81Å
251	D	92.5	Very high	90.1	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-70.6	-33.4	175.8	-73.3	-6.7	0	0	0	112.4	E48 V247 K248 M249 A253 V254 I255 L268 H418 R503	E48-D251 WeakPolarHBondContact CG-OD2 3.37Å; V247-D251 PolarHBondContact O-N 2.7Å; K248-D251 PolarHBondContact O-N 2.96Å; M249-D251 VanDerWaalsContact C-N 3.27Å; M249-D251 PolarHBondContact O-N 2.94Å; D251-A253 VanDerWaalsContact C-N 3.31Å; D251-A253 PolarHBondContact O-N 2.87Å; D251-V254 PolarHBondContact O-N 2.97Å; D251-I255 WeakPolarHBondContact O-CD1 3.44Å; D251-I255 VanDerWaalsContact O-CG1 3.29Å; D251-I255 WeakPolarHBondContact O-CG1 3.5Å; D251-I255 PolarHBondContact O-N 3.41Å; D251-L268 HydrophobicContact CB-CD2 3.64Å; D251-H418 HydrophobicContact CB-CB 3.91Å; D251-H418 IonicContact OD2-CD2 3.2Å; D251-H418 PolarHBondContact OD2-CD2 3.2Å; D251-R503 VanDerWaalsContact CG-NH1 3.35Å; D251-R503 IonicContact OD1-CZ 3.83Å; D251-R503 VanDerWaalsContact OD1-CZ 3.24Å; D251-R503 IonicContact OD1-NH1 3.74Å; D251-R503 PolarHBondContact OD1-NH1 2.86Å; D251-R503 IonicContact OD1-NH2 3.59Å; D251-R503 PolarHBondContact OD1-NH2 2.78Å; D251-R503 IonicContact OD2-NH1 3.85Å; D251-R503 PolarHBondContact OD2-NH1 3.07Å
252	A	91.4	Very high	89.8	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.9	-43	169.7	0	0	0	0	0	111.5	L227 W232 K248 M249 K256 L265 L268	L227-A252 HydrophobicContact CD2-CB 4.28Å; W232-A252 HydrophobicContact CE3-CB 4.18Å; W232-A252 HydrophobicContact CH2-CB 4.01Å; W232-A252 HydrophobicContact CZ2-CB 4.4Å; W232-A252 HydrophobicContact CZ3-CB 3.89Å; K248-A252 PolarHBondContact O-N 3.11Å; M249-A252 WeakPolarHBondContact O-CB 3.35Å; M249-A252 PolarHBondContact O-N 2.94Å; M249-A252 VanDerWaalsContact O-N 3.17Å; A252-K256 WeakPolarHBondContact O-CG 3.42Å; A252-K256 PolarHBondContact O-N 3.31Å; A252-K256 VanDerWaalsContact O-N 3.11Å; A252-L265 HydrophobicContact CB-CD2 3.77Å; A252-L268 VanDerWaalsContact CA-CD1 3.49Å; A252-L268 HydrophobicContact CB-CD1 3.61Å
253	A	91.6	Very high	89.5	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-43.5	173.5	0	0	0	0	0	112	V223 L227 M249 L250 D251 K256 M257 I618	V223-A253 HydrophobicContact CG1-CB 4.31Å; L227-A253 HydrophobicContact CD1-CB 3.74Å; M249-A253 PolarHBondContact O-N 3.29Å; L250-A253 WeakPolarHBondContact O-CB 3.43Å; L250-A253 PolarHBondContact O-N 3.03Å; D251-A253 VanDerWaalsContact C-N 3.31Å; D251-A253 PolarHBondContact O-N 2.87Å; A253-K256 PolarHBondContact O-N 2.81Å; A253-M257 WeakPolarHBondContact O-CB 3.24Å; A253-M257 VanDerWaalsContact O-CG 3.25Å; A253-M257 WeakPolarHBondContact O-CG 3.49Å; A253-M257 PolarHBondContact O-N 3.24Å; A253-I618 HydrophobicContact CB-CG2 4.45Å
254	V	92.1	Very high	89.2	Confident	8 Å²	8	28.8 Å²	28.8	5%	0.048	17%	0.169	C	C	.	.	H	α-helix	trans	-63.6	-43.6	177.7	179.4	0	0	0	0	112	L250 D251 K256 M257 E258 H418 R639 C640	L250-V254 WeakPolarHBondContact O-CG2 3.39Å; L250-V254 PolarHBondContact O-N 3.33Å; D251-V254 PolarHBondContact O-N 2.97Å; V254-K256 PolarHBondContact O-N 2.82Å; V254-M257 HydrophobicContact CB-CE 4.27Å; V254-M257 HydrophobicContact CG2-CE 3.83Å; V254-M257 PolarHBondContact O-N 2.98Å; V254-E258 HydrophobicContact CG1-CG 4.3Å; V254-E258 WeakPolarHBondContact O-CG 3.33Å; V254-E258 PolarHBondContact O-N 3.27Å; V254-H418 HydrophobicContact CB-CB 4.08Å; V254-H418 HydrophobicContact CG1-CB 4.06Å; V254-R639 HydrophobicContact CG1-CB 4.2Å; V254-R639 HydrophobicContact CG1-CG 4.34Å; V254-R639 HydrophobicContact CG2-CB 4.18Å; V254-C640 HydrophobicContact CG2-CB 3.95Å
255	I	91.8	Very high	89	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.1	-50.9	176.4	-72	160	0	0	0	110.4	D251 M257 E258 G259 G260 D264 L265 L268 L417 H418	D251-I255 WeakPolarHBondContact O-CD1 3.44Å; D251-I255 VanDerWaalsContact O-CG1 3.29Å; D251-I255 WeakPolarHBondContact O-CG1 3.5Å; D251-I255 PolarHBondContact O-N 3.41Å; I255-M257 VanDerWaalsContact C-N 3.34Å; I255-M257 PolarHBondContact O-N 3.4Å; I255-E258 PolarHBondContact O-N 2.85Å; I255-G259 PolarHBondContact O-N 3.18Å; I255-G260 WeakPolarHBondContact O-CA 3.38Å; I255-G260 PolarHBondContact O-N 2.69Å; I255-D264 HydrophobicContact CG2-CB 3.41Å; I255-D264 VanDerWaalsContact CG2-CB 3.41Å; I255-L265 HydrophobicContact CB-CD2 4.22Å; I255-L265 HydrophobicContact CD1-CD2 4.44Å; I255-L265 HydrophobicContact CG2-CD2 4.05Å; I255-L268 HydrophobicContact CD1-CD1 3.76Å; I255-L268 HydrophobicContact CD1-CD2 4.45Å; I255-L268 HydrophobicContact CD1-CG 4.02Å; I255-L417 HydrophobicContact CG1-CB 4.37Å; I255-H418 HydrophobicContact CD1-CB 4.46Å; I255-H418 HydrophobicContact CG1-CB 4.01Å
256	K	89.6	Confident	88.7	Confident	37 Å²	37	27.2 Å²	27.2	16%	0.161	15%	0.149	C	C	.	.	H	α-helix	trans	-63.8	-35.5	177.8	-71	-82.3	-178.1	167.7	0	112.4	V223 A252 A253 V254 G259 E262 L265	V223-K256 HydrophobicContact CB-CB 4.38Å; V223-K256 HydrophobicContact CG1-CB 3.63Å; V223-K256 HydrophobicContact CG2-CB 3.89Å; A252-K256 WeakPolarHBondContact O-CG 3.42Å; A252-K256 PolarHBondContact O-N 3.31Å; A252-K256 VanDerWaalsContact O-N 3.11Å; A253-K256 PolarHBondContact O-N 2.81Å; V254-K256 PolarHBondContact O-N 2.82Å; K256-G259 PolarHBondContact O-N 3.19Å; K256-E262 VanDerWaalsContact NZ-CG 3.32Å; K256-L265 HydrophobicContact CG-CD2 4.27Å
257	M	89.7	Confident	88.4	Confident	6 Å²	6	28.3 Å²	28.3	3%	0.03	16%	0.155	C	C	.	.	H	α-helix	trans	-68.9	-30	175.9	-77.2	-171.5	-62.1	0	0	114.3	N219 R220 V223 A253 V254 I255 G259 R639 C640	N219-M257 PolarHBondContact ND2-O 3.4Å; R220-M257 HydrophobicContact CG-CG 4.42Å; R220-M257 HydrophobicContact CG-SD 3.6Å; R220-M257 VanDerWaalsContact CG-SD 3.6Å; V223-M257 HydrophobicContact CB-CG 4.32Å; V223-M257 HydrophobicContact CG1-CG 4.27Å; V223-M257 HydrophobicContact CG2-CG 3.99Å; A253-M257 WeakPolarHBondContact O-CB 3.24Å; A253-M257 VanDerWaalsContact O-CG 3.25Å; A253-M257 WeakPolarHBondContact O-CG 3.49Å; A253-M257 PolarHBondContact O-N 3.24Å; V254-M257 HydrophobicContact CB-CE 4.27Å; V254-M257 HydrophobicContact CG2-CE 3.83Å; V254-M257 PolarHBondContact O-N 2.98Å; I255-M257 VanDerWaalsContact C-N 3.34Å; I255-M257 PolarHBondContact O-N 3.4Å; M257-G259 VanDerWaalsContact C-N 3.25Å; M257-R639 HydrophobicContact CE-CB 3.61Å; M257-C640 HydrophobicContact CE-CB 4.43Å; M257-C640 VanDerWaalsContact CE-SG 3.59Å
258	E	88.1	Confident	88	Confident	48 Å²	48	27.4 Å²	27.4	22%	0.224	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	10.9	174	-63.4	-69.3	171.2	0	0	112.4	V254 I255 L417 R449 R639	V254-E258 HydrophobicContact CG1-CG 4.3Å; V254-E258 WeakPolarHBondContact O-CG 3.33Å; V254-E258 PolarHBondContact O-N 3.27Å; I255-E258 PolarHBondContact O-N 2.85Å; E258-L417 HydrophobicContact CB-CB 4.07Å; E258-L417 HydrophobicContact CB-CD1 4.23Å; E258-R449 IonicContact OE1-CZ 3.85Å; E258-R449 IonicContact OE1-NE 2.67Å; E258-R449 IonicContact OE1-NH2 3.67Å; E258-R449 PolarHBondContact OE1-NH2 3.4Å; E258-R639 WeakPolarHBondContact OE1-CD 3.21Å; E258-R639 WeakPolarHBondContact OE1-CG 3.49Å; E258-R639 IonicContact OE1-CZ 3.3Å; E258-R639 IonicContact OE1-NH1 3.57Å; E258-R639 PolarHBondContact OE1-NH1 3.39Å; E258-R639 IonicContact OE2-NH1 2.74Å; E258-R639 PolarHBondContact OE2-NH1 2.9Å
259	G	85.1	Confident	87.5	Confident	55 Å²	55	28.9 Å²	28.9	57%	0.567	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.1	21.3	177.3	0	0	0	0	0	114.7	I255 K256 M257	I255-G259 PolarHBondContact O-N 3.18Å; K256-G259 PolarHBondContact O-N 3.19Å; M257-G259 VanDerWaalsContact C-N 3.25Å
260	G	84.3	Confident	86.8	Confident	8 Å²	8	31.1 Å²	31.1	8%	0.082	17%	0.167	C	C	.	.			trans	-68.8	144.3	172.1	0	0	0	0	0	112.4	I255 D264	I255-G260 WeakPolarHBondContact O-CA 3.38Å; I255-G260 PolarHBondContact O-N 2.69Å; G260-D264 WeakPolarHBondContact CA-OD2 3.39Å
261	T	85.6	Confident	86.1	Confident	73 Å²	73	32.6 Å²	32.6	45%	0.448	17%	0.174	S	C	.	.			trans	-83.3	-176	179.4	70.5	0	0	0	0	111.1	N263 D264	T261-N263 WeakPolarHBondContact OG1-CA 3.32Å; T261-N263 WeakPolarHBondContact OG1-CB 3.13Å; T261-N263 PolarHBondContact OG1-N 3.37Å; T261-N263 PolarHBondContact OG1-O 3.41Å; T261-D264 PolarHBondContact N-OD2 3.03Å; T261-D264 PolarHBondContact O-N 2.94Å; T261-D264 VanDerWaalsContact O-N 3.13Å
262	E	81.8	Confident	85.1	Confident	129 Å²	129	35.5 Å²	35.5	60%	0.603	19%	0.188	S	C	*	.	S	Bend	trans	-62.4	-39.8	163.8	-69.3	179.1	-174.9	0	0	109.7	D44 K256 D264 L265	D44-E262 VanDerWaalsContact OD2-O 3.14Å; K256-E262 VanDerWaalsContact NZ-CG 3.32Å; E262-D264 PolarHBondContact O-N 2.76Å; E262-L265 PolarHBondContact O-N 3.1Å; E262-L265 VanDerWaalsContact O-N 3.14Å
263	N	84.1	Confident	84.3	Confident	49 Å²	49	41.2 Å²	41.2	26%	0.262	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	56.1	156.2	-72.7	-22.7	0	0	0	112.6	E42 W43 D44 T261 R266	E42-N263 WeakPolarHBondContact CG-ND2 3.29Å; W43-N263 PolarHBondContact N-ND2 3.29Å; D44-N263 WeakPolarHBondContact CA-O 3.46Å; D44-N263 VanDerWaalsContact CB-C 3.5Å; D44-N263 HydrophobicContact CB-CB 3.76Å; D44-N263 PolarHBondContact N-O 3.12Å; D44-N263 WeakPolarHBondContact OD2-CA 3.19Å; T261-N263 WeakPolarHBondContact OG1-CA 3.32Å; T261-N263 WeakPolarHBondContact OG1-CB 3.13Å; T261-N263 PolarHBondContact OG1-N 3.37Å; T261-N263 PolarHBondContact OG1-O 3.41Å; N263-R266 PolarHBondContact OD1-NH2 3.48Å; N263-R266 VanDerWaalsContact OD1-NH2 3.08Å
264	D	85	Confident	83.4	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-152.3	-12.3	155.2	-78.5	-60.6	0	0	0	111.3	D44 R45 G46 I255 G260 T261 E262 R415	D44-D264 VanDerWaalsContact OD1-CA 3.27Å; D44-D264 WeakPolarHBondContact OD1-CA 3.27Å; D44-D264 PolarHBondContact OD1-N 3.07Å; D44-D264 VanDerWaalsContact OD1-N 3.15Å; R45-D264 CarbonylContact C-O 3.36Å; R45-D264 VanDerWaalsContact CA-O 3.28Å; R45-D264 WeakPolarHBondContact CA-O 3.28Å; R45-D264 PolarHBondContact N-O 3.13Å; G46-D264 PolarHBondContact N-O 3.04Å; I255-D264 HydrophobicContact CG2-CB 3.41Å; I255-D264 VanDerWaalsContact CG2-CB 3.41Å; G260-D264 WeakPolarHBondContact CA-OD2 3.39Å; T261-D264 PolarHBondContact N-OD2 3.03Å; T261-D264 PolarHBondContact O-N 2.94Å; T261-D264 VanDerWaalsContact O-N 3.13Å; E262-D264 PolarHBondContact O-N 2.76Å; D264-R415 WeakPolarHBondContact OD1-CB 3.27Å; D264-R415 PolarHBondContact OD1-N 2.86Å; D264-R415 IonicContact OD1-NE 3.71Å; D264-R415 PolarHBondContact OD1-NE 3.35Å; D264-R415 IonicContact OD1-NH2 3.59Å; D264-R415 IonicContact OD2-CZ 3.33Å; D264-R415 IonicContact OD2-NE 3.3Å; D264-R415 IonicContact OD2-NH2 3.36Å; D264-R415 PolarHBondContact OD2-NH2 2.86Å
265	L	86	Confident	82.3	Confident	16 Å²	16	49.2 Å²	49.2	8%	0.084	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-47.8	-177	-64	179.3	0	0	0	113.3	D44 W232 A252 I255 K256 E262 I267 L268	D44-L265 PolarHBondContact OD1-N 3.46Å; W232-L265 HydrophobicContact CZ2-CD1 4.16Å; A252-L265 HydrophobicContact CB-CD2 3.77Å; I255-L265 HydrophobicContact CB-CD2 4.22Å; I255-L265 HydrophobicContact CD1-CD2 4.44Å; I255-L265 HydrophobicContact CG2-CD2 4.05Å; K256-L265 HydrophobicContact CG-CD2 4.27Å; E262-L265 PolarHBondContact O-N 3.1Å; E262-L265 VanDerWaalsContact O-N 3.14Å; L265-I267 PolarHBondContact O-N 3.06Å; L265-L268 HydrophobicContact CD2-CD1 4.19Å; L265-L268 VanDerWaalsContact O-CA 3.3Å; L265-L268 WeakPolarHBondContact O-CA 3.34Å; L265-L268 WeakPolarHBondContact O-CB 3.4Å; L265-L268 WeakPolarHBondContact O-CD1 3.5Å; L265-L268 WeakPolarHBondContact O-CG 3.29Å; L265-L268 PolarHBondContact O-N 3.02Å
266	R	84.1	Confident	80.9	Confident	70 Å²	70	55.1 Å²	55.1	26%	0.264	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	7.5	-158.7	-62.3	-177.8	-76.9	142.8	8.1	118.3	D44 R45 N263 E269 Q270	D44-R266 PolarHBondContact OD1-N 2.84Å; D44-R266 WeakPolarHBondContact OD2-CB 3.48Å; D44-R266 WeakPolarHBondContact OD2-CG 3.23Å; D44-R266 IonicContact OD2-CZ 3.78Å; D44-R266 IonicContact OD2-NE 3.65Å; D44-R266 PolarHBondContact OD2-NE 2.74Å; D44-R266 IonicContact OD2-NH2 3.55Å; D44-R266 PolarHBondContact OD2-NH2 3.26Å; R45-R266 VanDerWaalsContact CB-C 3.47Å; R45-R266 WeakPolarHBondContact CD-O 3.49Å; R45-R266 HydrophobicContact CG-CB 3.66Å; R45-R266 PolarHBondContact NE-O 3.29Å; N263-R266 PolarHBondContact OD1-NH2 3.48Å; N263-R266 VanDerWaalsContact OD1-NH2 3.08Å; R266-E269 HydrophobicContact CB-CB 4.46Å; R266-E269 HydrophobicContact CB-CG 4Å; R266-E269 VanDerWaalsContact CB-OE2 3.24Å; R266-E269 WeakPolarHBondContact CB-OE2 3.49Å; R266-E269 VanDerWaalsContact CD-OE2 3.3Å; R266-E269 WeakPolarHBondContact CD-OE2 3.44Å; R266-E269 VanDerWaalsContact CG-CD 3.46Å; R266-E269 HydrophobicContact CG-CG 4.26Å; R266-E269 VanDerWaalsContact CG-OE2 3.3Å; R266-E269 WeakPolarHBondContact CG-OE2 3.41Å; R266-E269 CarbonylContact O-C 3.39Å; R266-E269 VanDerWaalsContact O-CA 3.23Å; R266-E269 WeakPolarHBondContact O-CA 3.41Å; R266-E269 WeakPolarHBondContact O-CB 3.42Å; R266-E269 PolarHBondContact O-N 2.93Å; R266-Q270 PolarHBondContact O-N 3.3Å
267	I	86.1	Confident	79.8	Confident	24 Å²	24	57.5 Å²	57.5	12%	0.123	31%	0.306	C	S	.	.	H	α-helix	trans	-79.4	-21.7	162	-46.6	178.4	0	0	0	104	R45 G46 R47 L265 E269 Q270 E271 P414	R45-I267 VanDerWaalsContact CB-CA 3.42Å; R45-I267 HydrophobicContact CB-CB 3.47Å; R45-I267 VanDerWaalsContact CB-CB 3.47Å; R45-I267 HydrophobicContact CB-CD1 4.41Å; R45-I267 HydrophobicContact CB-CG1 3.06Å; R45-I267 HydrophobicContact CG-CG1 4.37Å; R45-I267 WeakPolarHBondContact O-CG1 3.43Å; G46-I267 VanDerWaalsContact N-CA 3.25Å; G46-I267 WeakPolarHBondContact O-CB 3.46Å; R47-I267 HydrophobicContact CB-CG2 4.48Å; R47-I267 VanDerWaalsContact CB-O 3.28Å; R47-I267 WeakPolarHBondContact CB-O 3.25Å; R47-I267 WeakPolarHBondContact CD-O 3.48Å; R47-I267 PolarHBondContact NE-O 2.73Å; L265-I267 PolarHBondContact O-N 3.06Å; I267-E269 CarbonylContact O-C 3.5Å; I267-E269 PolarHBondContact O-N 3.08Å; I267-Q270 HydrophobicContact CB-CB 4.1Å; I267-Q270 HydrophobicContact CG2-CB 3.43Å; I267-Q270 VanDerWaalsContact CG2-CB 3.43Å; I267-Q270 PolarHBondContact O-N 3.05Å; I267-Q270 VanDerWaalsContact O-N 3.13Å; I267-E271 HydrophobicContact CB-CG 4.35Å; I267-E271 HydrophobicContact CG2-CB 4.2Å; I267-E271 HydrophobicContact CG2-CG 3.11Å; I267-E271 PolarHBondContact O-N 3.09Å; I267-P414 HydrophobicContact CD1-CB 3.87Å; I267-P414 HydrophobicContact CD1-CG 4.41Å; I267-P414 HydrophobicContact CG1-CB 3.8Å; I267-P414 HydrophobicContact CG1-CG 4.21Å
268	L	82.9	Confident	78	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-54.5	15.3	145.9	-45.8	172.2	0	0	0	113.4	R47 W232 K248 D251 A252 I255 L265	R47-L268 HydrophobicContact CB-CD2 4.01Å; R47-L268 HydrophobicContact CG-CD2 3.98Å; R47-L268 VanDerWaalsContact N-CD2 3.3Å; R47-L268 VanDerWaalsContact NE-C 3.26Å; R47-L268 VanDerWaalsContact NE-CA 3.28Å; R47-L268 PolarHBondContact NH2-O 3.3Å; W232-L268 HydrophobicContact CH2-CD1 4.4Å; K248-L268 WeakPolarHBondContact CE-O 2.94Å; K248-L268 HydrophobicContact CG-CB 4.14Å; K248-L268 HydrophobicContact CG-CD2 4.45Å; K248-L268 PolarHBondContact NZ-O 3.45Å; D251-L268 HydrophobicContact CB-CD2 3.64Å; A252-L268 VanDerWaalsContact CA-CD1 3.49Å; A252-L268 HydrophobicContact CB-CD1 3.61Å; I255-L268 HydrophobicContact CD1-CD1 3.76Å; I255-L268 HydrophobicContact CD1-CD2 4.45Å; I255-L268 HydrophobicContact CD1-CG 4.02Å; L265-L268 HydrophobicContact CD2-CD1 4.19Å; L265-L268 VanDerWaalsContact O-CA 3.3Å; L265-L268 WeakPolarHBondContact O-CA 3.34Å; L265-L268 WeakPolarHBondContact O-CB 3.4Å; L265-L268 WeakPolarHBondContact O-CD1 3.5Å; L265-L268 WeakPolarHBondContact O-CG 3.29Å; L265-L268 PolarHBondContact O-N 3.02Å
269	E	82.6	Confident	76.1	Confident	75 Å²	75	64.8 Å²	64.8	35%	0.35	35%	0.354	S	S	.	.	H	α-helix	trans	-130	-52.6	156.9	-50.7	171.1	161.6	0	0	109	R45 R266 I267 E271 E272 E273	R45-E269 IonicContact CZ-OE2 2.71Å; R45-E269 IonicContact NH2-OE2 2.78Å; R45-E269 PolarHBondContact NH2-OE2 3.31Å; R266-E269 HydrophobicContact CB-CB 4.46Å; R266-E269 HydrophobicContact CB-CG 4Å; R266-E269 VanDerWaalsContact CB-OE2 3.24Å; R266-E269 WeakPolarHBondContact CB-OE2 3.49Å; R266-E269 VanDerWaalsContact CD-OE2 3.3Å; R266-E269 WeakPolarHBondContact CD-OE2 3.44Å; R266-E269 VanDerWaalsContact CG-CD 3.46Å; R266-E269 HydrophobicContact CG-CG 4.26Å; R266-E269 VanDerWaalsContact CG-OE2 3.3Å; R266-E269 WeakPolarHBondContact CG-OE2 3.41Å; R266-E269 CarbonylContact O-C 3.39Å; R266-E269 VanDerWaalsContact O-CA 3.23Å; R266-E269 WeakPolarHBondContact O-CA 3.41Å; R266-E269 WeakPolarHBondContact O-CB 3.42Å; R266-E269 PolarHBondContact O-N 2.93Å; I267-E269 CarbonylContact O-C 3.5Å; I267-E269 PolarHBondContact O-N 3.08Å; E269-E271 PolarHBondContact O-N 3.48Å; E269-E272 WeakPolarHBondContact O-CA 3.41Å; E269-E272 WeakPolarHBondContact O-CB 3.46Å; E269-E272 PolarHBondContact O-N 3.21Å; E269-E273 PolarHBondContact O-N 3.2Å
270	Q	77.3	Confident	74.2	Confident	50 Å²	50	68.6 Å²	68.6	23%	0.234	37%	0.368	C	S	.	.	H	α-helix	trans	-54.4	-42.9	-178.3	-82.9	172.8	-15.9	0	0	115.7	R266 I267 E272 E273 E274	R266-Q270 PolarHBondContact O-N 3.3Å; I267-Q270 HydrophobicContact CB-CB 4.1Å; I267-Q270 HydrophobicContact CG2-CB 3.43Å; I267-Q270 VanDerWaalsContact CG2-CB 3.43Å; I267-Q270 PolarHBondContact O-N 3.05Å; I267-Q270 VanDerWaalsContact O-N 3.13Å; Q270-E272 PolarHBondContact O-N 3.04Å; Q270-E273 CarbonylContact O-C 3.43Å; Q270-E273 WeakPolarHBondContact O-CA 3.02Å; Q270-E273 WeakPolarHBondContact O-CB 3.38Å; Q270-E273 PolarHBondContact O-N 2.99Å; Q270-E274 WeakPolarHBondContact O-CG 3.2Å; Q270-E274 PolarHBondContact O-N 3.15Å
271	E	77.1	Confident	72.2	Confident	31 Å²	31	71.7 Å²	71.7	15%	0.145	40%	0.4	C	S	.	.	H	α-helix	trans	-80.9	-1.3	175.8	-19.7	179.8	164.1	0	0	111.8	R47 I267 E269 E275 K419	R47-E271 HydrophobicContact CB-CB 3.99Å; R47-E271 HydrophobicContact CB-CG 3.56Å; R47-E271 VanDerWaalsContact CD-CA 3.48Å; R47-E271 HydrophobicContact CG-CB 4.19Å; R47-E271 HydrophobicContact CG-CG 4.3Å; R47-E271 VanDerWaalsContact O-OE2 3.06Å; I267-E271 HydrophobicContact CB-CG 4.35Å; I267-E271 HydrophobicContact CG2-CB 4.2Å; I267-E271 HydrophobicContact CG2-CG 3.11Å; I267-E271 PolarHBondContact O-N 3.09Å; E269-E271 PolarHBondContact O-N 3.48Å; E271-E275 WeakPolarHBondContact O-CB 3.36Å; E271-E275 WeakPolarHBondContact O-CG 3.47Å; E271-E275 PolarHBondContact O-N 3.44Å; E271-E275 VanDerWaalsContact O-N 3.09Å; E271-K419 IonicContact OE1-NZ 3.61Å; E271-K419 PolarHBondContact OE1-NZ 3.48Å; E271-K419 IonicContact OE2-NZ 2.68Å; E271-K419 PolarHBondContact OE2-NZ 2.84Å
272	E	71.6	Confident	69.6	Low	65 Å²	65	77.2 Å²	77.2	30%	0.304	42%	0.421	S	S	.	.	H	α-helix	trans	-72.4	-46.3	157.8	-126.1	171.9	141	0	0	108.7	R47 K248 E269 Q270 E274 E275 Q276	R47-E272 VanDerWaalsContact CD-N 3.33Å; R47-E272 VanDerWaalsContact CZ-CB 3.46Å; R47-E272 IonicContact CZ-OE2 3.23Å; R47-E272 VanDerWaalsContact NE-N 3.12Å; R47-E272 IonicContact NH1-OE2 3.82Å; R47-E272 IonicContact NH2-OE2 3.84Å; R47-E272 PolarHBondContact NH2-OE2 2.72Å; K248-E272 IonicContact NZ-OE2 3.39Å; K248-E272 PolarHBondContact NZ-OE2 3.45Å; E269-E272 WeakPolarHBondContact O-CA 3.41Å; E269-E272 WeakPolarHBondContact O-CB 3.46Å; E269-E272 PolarHBondContact O-N 3.21Å; Q270-E272 PolarHBondContact O-N 3.04Å; E272-E274 VanDerWaalsContact C-N 3.35Å; E272-E275 PolarHBondContact O-N 2.89Å; E272-Q276 WeakPolarHBondContact O-CB 3.34Å; E272-Q276 WeakPolarHBondContact O-CG 3.33Å; E272-Q276 PolarHBondContact O-N 3.16Å; E272-Q276 PolarHBondContact OE1-NE2 3.48Å
273	E	72.9	Confident	67.8	Low	119 Å²	119	77.1 Å²	77.1	56%	0.556	43%	0.432	S	S	*	.	H	α-helix	trans	-63	-43.1	-179.7	-59.3	172.2	170	0	0	110.1	E269 Q270 Q276 A277	E269-E273 PolarHBondContact O-N 3.2Å; Q270-E273 CarbonylContact O-C 3.43Å; Q270-E273 WeakPolarHBondContact O-CA 3.02Å; Q270-E273 WeakPolarHBondContact O-CB 3.38Å; Q270-E273 PolarHBondContact O-N 2.99Å; E273-Q276 PolarHBondContact O-N 2.87Å; E273-A277 WeakPolarHBondContact O-CB 3.09Å; E273-A277 PolarHBondContact O-N 3.03Å
274	E	73.9	Confident	65.4	Low	129 Å²	129	78.2 Å²	78.2	60%	0.603	45%	0.454	S	S	*	.	H	α-helix	trans	-66.7	-43.3	173.1	-61.8	-179.5	176.3	0	0	112.8	Q270 E272 Q276 G278	Q270-E274 WeakPolarHBondContact O-CG 3.2Å; Q270-E274 PolarHBondContact O-N 3.15Å; E272-E274 VanDerWaalsContact C-N 3.35Å; E274-Q276 VanDerWaalsContact C-N 3.33Å; E274-Q276 PolarHBondContact O-N 3.42Å; E274-G278 PolarHBondContact O-N 2.94Å
275	E	68.5	Low	63	Low	48 Å²	48	87.9 Å²	87.9	22%	0.224	50%	0.497	C	S	.	.	H	α-helix	trans	-68.4	-29.4	176.3	-82	-162.4	137.6	0	0	113.8	R49 R50 E271 E272	R49-E275 VanDerWaalsContact CB-OE1 3.26Å; R49-E275 WeakPolarHBondContact CB-OE1 3.15Å; R49-E275 WeakPolarHBondContact CD-OE1 3.32Å; R49-E275 WeakPolarHBondContact CD-OE2 3.43Å; R49-E275 IonicContact CZ-OE2 3.76Å; R49-E275 IonicContact NE-OE2 2.62Å; R49-E275 IonicContact NH1-OE2 3.49Å; R49-E275 PolarHBondContact NH1-OE2 3.15Å; R50-E275 WeakPolarHBondContact CD-OE1 3.37Å; R50-E275 IonicContact CZ-OE1 3.02Å; R50-E275 IonicContact CZ-OE2 2.73Å; R50-E275 IonicContact NE-OE1 3.54Å; R50-E275 IonicContact NH1-OE1 2.75Å; R50-E275 PolarHBondContact NH1-OE1 3.49Å; R50-E275 IonicContact NH1-OE2 3.68Å; R50-E275 PolarHBondContact NH1-OE2 3.14Å; E271-E275 WeakPolarHBondContact O-CB 3.36Å; E271-E275 WeakPolarHBondContact O-CG 3.47Å; E271-E275 PolarHBondContact O-N 3.44Å; E271-E275 VanDerWaalsContact O-N 3.09Å; E272-E275 PolarHBondContact O-N 2.89Å
276	Q	61.8	Low	60.4	Low	123 Å²	123	96.9 Å²	96.9	58%	0.575	54%	0.535	S	S	*	.	H	α-helix	trans	-78.8	-42.5	176	-72.2	-177.9	28.9	0	0	110.7	E272 E273 E274 G278 K279	E272-Q276 WeakPolarHBondContact O-CB 3.34Å; E272-Q276 WeakPolarHBondContact O-CG 3.33Å; E272-Q276 PolarHBondContact O-N 3.16Å; E272-Q276 PolarHBondContact OE1-NE2 3.48Å; E273-Q276 PolarHBondContact O-N 2.87Å; E274-Q276 VanDerWaalsContact C-N 3.33Å; E274-Q276 PolarHBondContact O-N 3.42Å; Q276-G278 VanDerWaalsContact C-N 3.26Å; Q276-G278 PolarHBondContact O-N 3.14Å; Q276-K279 PolarHBondContact O-N 3.1Å
277	A	66.3	Low	57.9	Low	88 Å²	88	102.8 Å²	102.8	73%	0.727	57%	0.565	S	S	*	*	H	α-helix	trans	-65.3	-28	174.3	0	0	0	0	0	113	E273 K279	E273-A277 WeakPolarHBondContact O-CB 3.09Å; E273-A277 PolarHBondContact O-N 3.03Å; A277-K279 VanDerWaalsContact C-N 3.27Å; A277-K279 PolarHBondContact O-N 3.44Å
278	G	52.2	Low	55.4	Low	62 Å²	62	111.2 Å²	111.2	64%	0.639	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-5.3	177.3	0	0	0	0	0	115.9	E274 Q276	E274-G278 PolarHBondContact O-N 2.94Å; Q276-G278 VanDerWaalsContact C-N 3.26Å; Q276-G278 PolarHBondContact O-N 3.14Å
279	K	49.5	Very low	52.8	Low	145 Å²	145	115 Å²	115	63%	0.63	64%	0.644	S	S	*	*	S	Bend	trans	-97.3	118.7	177.9	-69.9	178.6	-176.7	175	0	111	Q276 A277 G281	Q276-K279 PolarHBondContact O-N 3.1Å; A277-K279 VanDerWaalsContact C-N 3.27Å; A277-K279 PolarHBondContact O-N 3.44Å; K279-G281 PolarHBondContact O-N 3.39Å; K279-G281 VanDerWaalsContact O-N 3.14Å
280	P	45.1	Very low	50.2	Low	134 Å²	134	123.6 Å²	123.6	87%	0.87	67%	0.673	S	S	*	*			trans	-67.5	114.5	172.7	28	-32.5	0	0	0	109.5
281	G	42.2	Very low	47.8	Very low	73 Å²	73	125.9 Å²	125.9	75%	0.753	70%	0.701	S	S	*	*			trans	-78.2	133.3	-173.3	0	0	0	0	0	114	K279	K279-G281 PolarHBondContact O-N 3.39Å; K279-G281 VanDerWaalsContact O-N 3.14Å
282	E	31.3	Very low	45.4	Very low	189 Å²	189	128.3 Å²	128.3	88%	0.883	73%	0.734	S	S	*	*			trans	-76.8	134.8	153.2	-74.3	-170.5	126.6	0	0	109.4	G284	E282-G284 PolarHBondContact O-N 3.15Å; E282-G284 VanDerWaalsContact O-N 3.15Å
283	P	43.7	Very low	43.4	Very low	127 Å²	127	130.6 Å²	130.6	83%	0.825	76%	0.764	S	S	*	*			trans	-76.9	104.1	178.2	30	-32.7	0	0	0	110.7	K285	P283-K285 PolarHBondContact O-N 2.75Å
284	G	33.7	Very low	41.1	Very low	72 Å²	72	128.7 Å²	128.7	74%	0.742	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-62.2	128.8	174.1	0	0	0	0	0	112.4	E282 K286	E282-G284 PolarHBondContact O-N 3.15Å; E282-G284 VanDerWaalsContact O-N 3.15Å; G284-K286 PolarHBondContact O-N 2.81Å
285	K	34.8	Very low	39	Very low	205 Å²	205	131.6 Å²	131.6	89%	0.891	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-62.2	130.4	169.2	-67.7	176.4	178.3	176.1	0	109.5	P283	P283-K285 PolarHBondContact O-N 2.75Å
286	K	31.6	Very low	36.9	Very low	205 Å²	205	132.9 Å²	132.9	89%	0.891	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-82.6	124.5	162.6	-74.1	-176.8	173.9	-178.8	0	109	G284	G284-K286 PolarHBondContact O-N 2.81Å
287	E	31	Very low	35.2	Very low	193 Å²	193	135.3 Å²	135.3	90%	0.902	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-80	144.1	158	-73.8	-171.3	132.1	0	0	109.6
288	E	32.6	Very low	33.3	Very low	201 Å²	201	134 Å²	134	94%	0.939	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-90.8	131.3	174.3	-66.1	-171.7	141.4	0	0	111.1
289	G	28.8	Very low	32.1	Very low	81 Å²	81	140.6 Å²	140.6	84%	0.835	85%	0.847	S	S	*	*			trans	-118.4	138.8	167.1	0	0	0	0	0	110.3
290	R	28.6	Very low	31.1	Very low	255 Å²	255	144.5 Å²	144.5	96%	0.962	86%	0.858	S	S	*	*			trans	-120.7	121.3	-154.6	175.5	-172.9	179.4	-177	1.6	114.7
291	A	26.8	Very low	30.3	Very low	99 Å²	99	148.2 Å²	148.2	82%	0.818	86%	0.861	S	S	*	*			trans	-172	128.4	151	0	0	0	0	0	106.7
292	G	27.2	Very low	29.5	Very low	81 Å²	81	149.8 Å²	149.8	84%	0.835	86%	0.856	S	S	*	*				93.8	124.4	56.2	0	0	0	0	0	109
293	A	28.5	Very low	29.2	Very low	113 Å²	113	148.1 Å²	148.1	93%	0.934	85%	0.853	S	S	*	*			cis	-161.3	172	2.4	0	0	0	0	0	110.4
294	G	25.3	Very low	28.4	Very low	79 Å²	79	148.2 Å²	148.2	81%	0.814	85%	0.846	S	S	*	*			trans	150.9	131.2	168.3	0	0	0	0	0	114.6
295	L	29.2	Very low	28.3	Very low	190 Å²	190	151.7 Å²	151.7	100%	0.995	84%	0.841	S	S	*	*			trans	-104.1	156.2	-170.3	-72.4	160.5	0	0	0	113.6
296	G	25.1	Very low	27.9	Very low	76 Å²	76	147.9 Å²	147.9	78%	0.784	83%	0.831	S	S	*	*			trans	178.1	97.3	167	0	0	0	0	0	114.2
297	D	26.1	Very low	27.9	Very low	173 Å²	173	144.3 Å²	144.3	93%	0.925	82%	0.817	S	S	*	*			trans	-56.7	156.6	161.3	-100.8	-94.5	0	0	0	111
298	G	26.5	Very low	27.9	Very low	61 Å²	61	142.1 Å²	142.1	63%	0.629	81%	0.805	S	S	*	*			cis	136.5	110.6	4.9	0	0	0	0	0	110.8
299	E	27.4	Very low	27.7	Very low	201 Å²	201	139.1 Å²	139.1	94%	0.939	79%	0.788	S	S	*	*			trans	-153.9	139.8	161.6	-126.7	-177.9	-179.5	0	0	112.5
300	R	28.2	Very low	27.7	Very low	227 Å²	227	141.9 Å²	141.9	86%	0.857	78%	0.78	S	S	*	*			trans	-102.4	153.3	-177.5	-74.7	173.1	166.9	162.4	-5.3	111
301	K	28.1	Very low	27.7	Very low	212 Å²	212	136.5 Å²	136.5	92%	0.922	77%	0.77	S	S	*	*			trans	-136.2	134.8	137.1	-102.2	177.5	-175.6	172.1	0	111.3
302	T	26.2	Very low	27.6	Very low	106 Å²	106	135.4 Å²	135.4	65%	0.65	77%	0.768	S	S	*	*			trans	-96.7	158.3	-179.3	49.9	0	0	0	0	110.7
303	N	23.8	Very low	27.8	Very low	153 Å²	153	139.4 Å²	139.4	82%	0.818	76%	0.762	S	S	*	*				-170	127.8	106.8	-90.6	1.2	0	0	0	113.2
304	D	27.7	Very low	27.8	Very low	129 Å²	129	141.1 Å²	141.1	69%	0.69	75%	0.751	S	S	*	*			trans	-66.8	167.9	153.9	-108.8	-22.9	0	0	0	109.4
305	K	30.7	Very low	27.9	Very low	146 Å²	146	140.9 Å²	140.9	64%	0.635	74%	0.737	S	S	*	*			cis	-173.4	-172.6	-12.9	-145.8	-173.2	-139.9	92.4	0	107.6
306	D	26.9	Very low	27.8	Very low	125 Å²	125	140.6 Å²	140.6	67%	0.668	73%	0.731	S	S	*	*			trans	71.8	147.4	149.2	-64.3	-22.6	0	0	0	121.1
307	E	30.7	Very low	27.8	Very low	129 Å²	129	143.6 Å²	143.6	60%	0.603	73%	0.729	S	S	*	*			cis	-170.8	148.1	-32.3	-124.9	-160.5	171.2	0	0	110
308	K	30.6	Very low	27.8	Very low	148 Å²	148	141.5 Å²	141.5	64%	0.643	72%	0.718	S	S	*	*			trans	61.5	157.8	149.6	-70.6	-175.2	-177.8	118.7	0	119.2
309	K	28.7	Very low	27.7	Very low	138 Å²	138	142.9 Å²	142.9	60%	0.6	72%	0.718	S	S	*	*			cis	-163.3	154.6	1.2	-130.3	176.9	170.3	-127.7	0	112
310	E	28.8	Very low	27.8	Very low	139 Å²	139	138.5 Å²	138.5	65%	0.65	71%	0.709	S	S	*	*			trans	57.8	152.2	143.1	-82.3	157.6	-166.1	0	0	121.4
311	D	28.6	Very low	27.6	Very low	141 Å²	141	134.7 Å²	134.7	75%	0.754	71%	0.706	S	S	*	*			cis	-153.2	167.9	7.6	-144.7	-34.7	0	0	0	112.5
312	G	25.6	Very low	27.6	Very low	76 Å²	76	130.8 Å²	130.8	78%	0.784	70%	0.695	S	S	*	*			trans	175.1	70.9	179.3	0	0	0	0	0	118.7
313	K	31.8	Very low	27.7	Very low	165 Å²	165	131.3 Å²	131.3	72%	0.717	69%	0.694	S	S	*	*			trans	-51.9	151.5	-176.4	-90.1	175.4	147.2	-150.7	0	122.5
314	Q	27.8	Very low	27.9	Very low	149 Å²	149	131.7 Å²	131.7	70%	0.696	69%	0.688	S	S	*	*			trans	69.3	151.3	137.2	-73	-177.7	-97.4	0	0	121
315	S	26.5	Very low	28.1	Very low	75 Å²	75	131.5 Å²	131.5	52%	0.524	69%	0.692	S	S	.	*			cis	-177.6	151.7	-20.3	50	0	0	0	0	111.9
316	E	27.6	Very low	28.1	Very low	183 Å²	183	133.8 Å²	133.8	86%	0.855	70%	0.702	S	S	*	*			trans	63.7	163.7	153	-69.9	166.4	-148.7	0	0	120.1
317	N	26.2	Very low	28.1	Very low	139 Å²	139	136.3 Å²	136.3	74%	0.743	71%	0.707	S	S	*	*			cis	-166.2	160.1	-40.4	-165.2	29.9	0	0	0	110.3
318	D	24.7	Very low	27.9	Very low	129 Å²	129	134.6 Å²	134.6	69%	0.69	71%	0.709	S	S	*	*			trans	77.6	140	146.2	-123.9	-22	0	0	0	127.4
319	S	26.2	Very low	27.7	Very low	91 Å²	91	136.1 Å²	136.1	64%	0.636	72%	0.719	S	S	*	*			trans	76.9	115	139.3	73.8	0	0	0	0	126.6
320	S	27.7	Very low	27.5	Very low	109 Å²	109	133.4 Å²	133.4	76%	0.762	73%	0.73	S	S	*	*				66.5	119.8	119.9	74.4	0	0	0	0	126.4
321	N	25.3	Very low	27.3	Very low	146 Å²	146	135 Å²	135	78%	0.781	74%	0.743	S	S	*	*				70.5	135.6	121.3	-129.5	44.1	0	0	0	126.1
322	D	27.1	Very low	27.1	Very low	130 Å²	130	131.4 Å²	131.4	70%	0.695	74%	0.739	S	S	*	*			trans	71.9	120.3	145.1	-95	-36.6	0	0	0	126.7
323	D	28.2	Very low	27.3	Very low	117 Å²	117	135.1 Å²	135.1	63%	0.626	74%	0.741	S	S	*	*				71.7	148	126.2	-145.5	14.5	0	0	0	126.4
324	K	29.7	Very low	27.2	Very low	161 Å²	161	135.6 Å²	135.6	70%	0.7	74%	0.743	S	S	*	*			trans	70.9	96.2	155.6	-86.8	171.7	-172.2	82.9	0	124.2
325	T	30.8	Very low	27.2	Very low	125 Å²	125	135.7 Å²	135.7	77%	0.767	74%	0.743	S	S	*	*				24.5	133.1	124.2	36.6	0	0	0	0	123.1
326	K	30.5	Very low	27.3	Very low	194 Å²	194	138.3 Å²	138.3	84%	0.843	75%	0.747	S	S	*	*				178.6	152.2	115.9	-105	170.8	-178.8	171.3	0	117.2
327	K	27.2	Very low	27.3	Very low	179 Å²	179	136.9 Å²	136.9	78%	0.778	74%	0.738	S	S	*	*			trans	69.8	119.4	148.9	-85.6	-166.9	167.9	-160.2	0	119.4
328	S	26.1	Very low	27.4	Very low	92 Å²	92	137.2 Å²	137.2	64%	0.643	73%	0.733	S	S	*	*				96.5	146.9	71.3	74.8	0	0	0	0	111.4
329	E	26.2	Very low	27.3	Very low	181 Å²	181	137.9 Å²	137.9	85%	0.846	73%	0.732	S	S	*	*			cis	-154.4	165.7	24.9	-60.8	173.8	142.6	0	0	112.3
330	G	24.8	Very low	27.3	Very low	81 Å²	81	141.2 Å²	141.2	84%	0.835	74%	0.743	S	S	*	*			trans	60.9	159.7	151.5	0	0	0	0	0	121.4
331	D	24.4	Very low	27.1	Very low	173 Å²	173	141.3 Å²	141.3	93%	0.925	74%	0.744	S	S	*	*			cis	-168.1	163	-13.1	-172	16.4	0	0	0	109
332	G	25.3	Very low	27	Very low	65 Å²	65	141.4 Å²	141.4	67%	0.67	74%	0.739	S	S	*	*			trans	127.1	81	160.8	0	0	0	0	0	121.7
333	D	29.6	Very low	26.9	Very low	154 Å²	154	142.8 Å²	142.8	82%	0.824	74%	0.739	S	S	*	*			trans	35.4	121.8	135.8	-95.1	-22.1	0	0	0	124.8
334	K	28.6	Very low	26.6	Very low	174 Å²	174	146.1 Å²	146.1	76%	0.757	75%	0.751	S	S	*	*				175.8	132.1	94.2	-113.8	173.9	178.2	178	0	117.4
335	E	28.3	Very low	26.5	Very low	152 Å²	152	142.1 Å²	142.1	71%	0.71	75%	0.748	S	S	*	*			trans	18.4	149.3	141.3	-58	178.6	127.3	0	0	122.4
336	E	28.1	Very low	26.3	Very low	129 Å²	129	145.1 Å²	145.1	60%	0.603	75%	0.75	S	S	*	*			cis	-169.8	152.2	-8.6	-113.3	-154.1	160.9	0	0	112
337	K	28.3	Very low	26.1	Very low	154 Å²	154	145.3 Å²	145.3	67%	0.67	75%	0.751	S	S	*	*			trans	55.6	159.5	145.4	-68.2	-171.8	-173.7	121.9	0	121.5
338	K	27.8	Very low	26.1	Very low	145 Å²	145	141.7 Å²	141.7	63%	0.63	75%	0.749	S	S	*	*			cis	-162.2	160.6	-11.4	-124.3	-171.9	167.6	-142.8	0	112
339	E	24.2	Very low	26	Very low	144 Å²	144	142.4 Å²	142.4	67%	0.673	75%	0.754	S	S	*	*			trans	31.8	119.3	144.1	-72.3	161.7	-167.7	0	0	123.7
340	D	25.3	Very low	26.1	Very low	160 Å²	160	143.5 Å²	143.5	86%	0.856	76%	0.756	S	S	*	*				44.2	155.2	116.6	-134.9	-13.5	0	0	0	124.1
341	S	23.6	Very low	26.2	Very low	112 Å²	112	149.2 Å²	149.2	78%	0.783	76%	0.757	S	S	*	*			trans	98	137.1	158.6	79.1	0	0	0	0	123.2
342	E	23	Very low	26.5	Very low	148 Å²	148	152 Å²	152	69%	0.692	76%	0.755	S	S	*	*			trans	-28.7	146.6	169.7	-58	-160.2	121.9	0	0	123.8
343	K	24.3	Very low	26.6	Very low	158 Å²	158	154.4 Å²	154.4	69%	0.687	75%	0.752	S	S	*	*				69.7	130	129.5	-71.5	169.7	-173.2	149	0	123.7
344	E	23.4	Very low	26.7	Very low	187 Å²	187	156.9 Å²	156.9	87%	0.874	75%	0.75	S	S	*	*			trans	92.2	151	132.1	-93.8	-154.7	-154.5	0	0	124.2
345	A	25.9	Very low	26.8	Very low	78 Å²	78	157 Å²	157	65%	0.645	75%	0.751	S	S	*	*			trans	95	132.4	163.7	0	0	0	0	0	117.6
346	K	27.9	Very low	26.8	Very low	188 Å²	188	157.9 Å²	157.9	82%	0.817	76%	0.755	S	S	*	*			cis	-167.3	161.4	11.6	-129.2	163.7	-161.6	160.2	0	114.5
347	K	26.7	Very low	26.9	Very low	197 Å²	197	156.2 Å²	156.2	86%	0.857	76%	0.757	S	S	*	*			trans	84.6	138.2	163.8	-63	172.9	-178.8	178.5	0	117.3
348	S	25.2	Very low	26.8	Very low	104 Å²	104	152.6 Å²	152.6	73%	0.727	76%	0.764	S	S	*	*			cis	-163.3	157.3	-0.9	42.9	0	0	0	0	116.6
349	S	25.5	Very low	26.7	Very low	107 Å²	107	152.9 Å²	152.9	75%	0.748	77%	0.772	S	S	*	*			trans	68.7	76.9	142.3	59.6	0	0	0	0	125.3
350	K	27.2	Very low	26.9	Very low	204 Å²	204	152.7 Å²	152.7	89%	0.887	78%	0.776	S	S	*	*				26.7	108.8	109.6	-162.7	176.3	-166	170	0	122.3
351	K	26.9	Very low	27.2	Very low	200 Å²	200	150.3 Å²	150.3	87%	0.87	77%	0.771	S	S	*	*				177.5	127	121	-106.4	-179.7	178.3	177.1	0	116.7
352	R	31.4	Very low	27.3	Very low	233 Å²	233	154.1 Å²	154.1	88%	0.879	77%	0.774	S	S	*	*			trans	8.9	150.5	147.6	-66.8	178.9	167.9	171.8	-5.8	121
353	N	28.3	Very low	27.4	Very low	115 Å²	115	153 Å²	153	62%	0.615	77%	0.773	S	S	*	*			cis	-169.9	139.3	34.2	-142.8	20.4	0	0	0	116
354	R	31.1	Very low	27.6	Very low	206 Å²	206	153.5 Å²	153.5	78%	0.777	78%	0.778	S	S	*	*			trans	53.6	153.1	145.8	-68.9	179.7	169	160.2	-2.9	121.6
355	K	30.5	Very low	27.6	Very low	177 Å²	177	147.1 Å²	147.1	77%	0.77	76%	0.762	S	S	*	*			cis	-164.7	133.5	-4.2	-108.6	-180	179.6	-163.5	0	106.6
356	H	28.5	Very low	27.7	Very low	170 Å²	170	148.7 Å²	148.7	79%	0.787	77%	0.768	S	S	*	*				92.4	131	83.5	-167.9	65.1	0	0	0	117.4
357	S	29.8	Very low	27.7	Very low	94 Å²	94	146.5 Å²	146.5	66%	0.657	77%	0.77	S	S	*	*			trans	54.9	136.5	163.5	57.7	0	0	0	0	119
358	G	26.4	Very low	27.7	Very low	78 Å²	78	142.2 Å²	142.2	80%	0.804	77%	0.765	S	S	*	*				88.3	140.2	63.8	0	0	0	0	0	108
359	D	25.2	Very low	27.7	Very low	151 Å²	151	145 Å²	145	81%	0.807	77%	0.767	S	S	*	*			cis	-178.5	176.1	19	-175.1	20.1	0	0	0	105.7
360	D	29.8	Very low	27.7	Very low	140 Å²	140	145 Å²	145	75%	0.749	77%	0.767	S	S	*	*			trans	-9.6	140.3	176.2	-74.5	-30.5	0	0	0	121.8
361	S	29.7	Very low	27.7	Very low	109 Å²	109	143.4 Å²	143.4	76%	0.762	76%	0.762	S	S	*	*				160.2	136.1	107.7	52.5	0	0	0	0	117.1
362	F	26.1	Very low	27.6	Very low	193 Å²	193	138.7 Å²	138.7	85%	0.846	75%	0.754	S	S	*	*			trans	63.3	138.8	139.1	-90.7	-89.8	0	0	0	126
363	D	25.4	Very low	27.3	Very low	124 Å²	124	135.5 Å²	135.5	66%	0.663	75%	0.75	S	S	*	*			trans	95.6	131.6	135.5	-117.1	34.2	0	0	0	123.3
364	E	28	Very low	27.1	Very low	169 Å²	169	134.3 Å²	134.3	79%	0.79	75%	0.75	S	S	*	*			trans	42.9	142.6	149.6	-63.4	-72	159.1	0	0	119.9
365	G	25.2	Very low	26.7	Very low	53 Å²	53	133.3 Å²	133.3	55%	0.546	75%	0.754	S	S	.	*			cis	138.6	166.5	19.3	0	0	0	0	0	109.4
366	S	27.8	Very low	26.4	Very low	111 Å²	111	129.8 Å²	129.8	78%	0.776	75%	0.752	S	S	*	*			trans	73.2	119.3	179	-56.3	0	0	0	0	116.9
367	V	26.1	Very low	26.2	Very low	141 Å²	141	124.7 Å²	124.7	86%	0.855	75%	0.745	S	S	*	*			cis	89.5	126.9	48.4	-60.2	0	0	0	0	116.2
368	S	26.8	Very low	26.1	Very low	107 Å²	107	129.8 Å²	129.8	75%	0.748	76%	0.759	S	S	*	*			trans	152	108.8	152.8	-165.6	0	0	0	0	107.1
369	E	26.9	Very low	26.2	Very low	163 Å²	163	130 Å²	130	76%	0.762	75%	0.753	S	S	*	*				59.7	111.9	66.3	-64.7	-67.6	167.8	0	0	113.5
370	S	25.7	Very low	26.4	Very low	107 Å²	107	131.1 Å²	131.1	75%	0.748	75%	0.753	S	S	*	*				170.6	106.1	127.9	-74.3	0	0	0	0	113.6
371	E	25.6	Very low	26.5	Very low	170 Å²	170	132.1 Å²	132.1	79%	0.794	75%	0.753	S	S	*	*				54.3	144.2	118.7	-60.1	-77.8	129.7	0	0	123.4
372	S	25.8	Very low	26.4	Very low	101 Å²	101	134.9 Å²	134.9	71%	0.706	75%	0.754	S	S	*	*			trans	105.5	100.5	143.1	-65.2	0	0	0	0	122.4
373	E	24.2	Very low	26.5	Very low	167 Å²	167	135.5 Å²	135.5	78%	0.78	76%	0.757	S	S	*	*				74.5	122.4	114.6	-68.7	-68	135.7	0	0	124.1
374	S	24.2	Very low	26.5	Very low	89 Å²	89	138.6 Å²	138.6	62%	0.622	77%	0.767	S	S	*	*			trans	76.7	131.4	130.3	63.4	0	0	0	0	125.9
375	E	23.3	Very low	26.4	Very low	185 Å²	185	140.3 Å²	140.3	86%	0.864	78%	0.775	S	S	*	*			trans	56.4	154.9	139	-70.4	-162.8	121.3	0	0	122.3
376	S	23.6	Very low	26.4	Very low	103 Å²	103	142.4 Å²	142.4	72%	0.72	79%	0.787	S	S	*	*			cis	-172.1	169.4	-20.9	58.6	0	0	0	0	109.8
377	G	24.2	Very low	26.2	Very low	63 Å²	63	146.6 Å²	146.6	65%	0.649	79%	0.794	S	S	*	*			trans	99.3	111.9	147.3	0	0	0	0	0	121.1
378	Q	28	Very low	26.1	Very low	202 Å²	202	148.6 Å²	148.6	94%	0.944	79%	0.794	S	S	*	*				37.2	153.9	122.7	-66.2	175	-23.3	0	0	121
379	A	29.2	Very low	26.1	Very low	81 Å²	81	148.3 Å²	148.3	67%	0.669	80%	0.799	S	S	*	*			cis	174.3	148	-14.1	0	0	0	0	0	105.9
380	E	29.7	Very low	26.3	Very low	175 Å²	175	147.8 Å²	147.8	82%	0.818	80%	0.8	S	S	*	*			trans	20.6	153.3	135.1	-70	167.2	-173.9	0	0	121.3
381	E	31.5	Very low	26.6	Very low	161 Å²	161	150.5 Å²	150.5	75%	0.752	80%	0.799	S	S	*	*			cis	-159.9	-179.3	15.2	-135.6	176.4	-169.5	0	0	113.3
382	E	28	Very low	26.7	Very low	168 Å²	168	147.7 Å²	147.7	79%	0.785	79%	0.786	S	S	*	*			trans	-46.5	155.9	-174.5	-61.1	173.4	166.3	0	0	121.6
383	K	27.7	Very low	26.8	Very low	206 Å²	206	151.2 Å²	151.2	90%	0.896	79%	0.788	S	S	*	*				-164	146.6	114.5	-116.6	-176.1	-179.3	-172.8	0	115.4
384	E	25.6	Very low	27.1	Very low	188 Å²	188	152.8 Å²	152.8	88%	0.879	80%	0.795	S	S	*	*			trans	-89.7	150.7	175.3	-56.2	-178.3	128.8	0	0	113.2
385	E	24.6	Very low	27.4	Very low	205 Å²	205	158.3 Å²	158.3	96%	0.958	81%	0.808	S	S	*	*			trans	-156.7	152.3	135.8	-124.8	171.6	-152.8	0	0	109
386	A	25.1	Very low	27.9	Very low	97 Å²	97	155.6 Å²	155.6	80%	0.802	81%	0.807	S	S	*	*			trans	-126.7	139.4	-164.3	0	0	0	0	0	113.3
387	E	25.1	Very low	28	Very low	199 Å²	199	160.5 Å²	160.5	93%	0.93	82%	0.815	S	S	*	*			trans	-158.8	158.8	147.3	-117.4	173.7	-165.4	0	0	112.3
388	E	22.6	Very low	28.1	Very low	183 Å²	183	166.6 Å²	166.6	86%	0.855	83%	0.827	S	S	*	*			trans	-61.8	140	-148.4	-52.7	-175.6	118.7	0	0	121.1
389	A	26.7	Very low	28.1	Very low	102 Å²	102	166.5 Å²	166.5	84%	0.843	83%	0.826	S	S	*	*			trans	-166.4	146.2	130.6	0	0	0	0	0	113.3
390	L	32.1	Very low	28	Very low	151 Å²	151	171.7 Å²	171.7	79%	0.791	84%	0.837	S	S	*	*			trans	-122.1	158.8	-167.2	-60.2	169.8	0	0	0	111.1
391	K	32.1	Very low	27.9	Very low	165 Å²	165	175.2 Å²	175.2	72%	0.717	84%	0.843	S	S	*	*			cis	-173.5	168.4	-8.2	-106.6	-164.1	173.9	-140.1	0	107.2
392	E	27	Very low	27.7	Very low	110 Å²	110	176 Å²	176	51%	0.514	85%	0.847	S	S	.	*			cis	-163.6	127.2	-21.2	-178.7	172.9	177.4	0	0	110.6
393	K	28.1	Very low	27.7	Very low	176 Å²	176	177 Å²	177	77%	0.765	85%	0.848	S	S	*	*			trans	58.8	122.1	155.9	-68	170.5	-174.8	153.5	0	123
394	E	31.7	Very low	27.9	Very low	199 Å²	199	173 Å²	173	93%	0.93	84%	0.843	S	S	*	*			trans	-119.7	156.4	136.8	-72.7	-168.9	141	0	0	109.8
395	K	28.8	Very low	28.2	Very low	206 Å²	206	173.7 Å²	173.7	90%	0.896	84%	0.843	S	S	*	*			trans	-125.9	143.1	171.3	-104	-165.2	174.8	-166.9	0	109.6
396	P	33.8	Very low	28.6	Very low	128 Å²	128	168.7 Å²	168.7	83%	0.831	82%	0.823	S	S	*	*			trans	-83.4	170.9	178.8	34.7	-35	0	0	0	113.4
397	K	27.3	Very low	29	Very low	205 Å²	205	167.4 Å²	167.4	89%	0.891	81%	0.813	S	S	*	*			trans	-94.7	145.6	-162.4	-57.4	171.3	178.8	178.5	0	113.9
398	E	25.7	Very low	29.6	Very low	191 Å²	191	160.3 Å²	160.3	89%	0.893	79%	0.788	S	S	*	*			trans	-105.5	150.7	153.3	-69.8	-179.5	151.1	0	0	108.6
399	E	27.9	Very low	30.4	Very low	200 Å²	200	154.2 Å²	154.2	94%	0.935	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-89.7	137.4	-178.7	-66.9	-175.1	143.6	0	0	111.7
400	E	28.1	Very low	31.5	Very low	191 Å²	191	155.2 Å²	155.2	89%	0.893	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-77.7	129.8	-170.1	-65.1	171.5	111.4	0	0	113
401	W	25.8	Very low	32.8	Very low	248 Å²	248	152.2 Å²	152.2	94%	0.939	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-88.4	116.3	154.8	-172.7	-70.9	0	0	0	108.2	K403	W401-K403 PolarHBondContact O-N 3.31Å; W401-K403 VanDerWaalsContact O-N 3.1Å
402	E	27.6	Very low	34.6	Very low	179 Å²	179	148 Å²	148	84%	0.836	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-57.7	116.1	-173.9	-69.3	-164.7	147.8	0	0	112.3
403	K	28.2	Very low	37.2	Very low	189 Å²	189	151.2 Å²	151.2	82%	0.822	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-75.9	139.2	159.3	-66.7	179	179.6	177.5	0	108.6	W401 K405	W401-K403 PolarHBondContact O-N 3.31Å; W401-K403 VanDerWaalsContact O-N 3.1Å; K403-K405 PolarHBondContact O-N 2.97Å
404	P	32.3	Very low	39.9	Very low	122 Å²	122	144.8 Å²	144.8	79%	0.792	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-62	132.6	167.6	28.3	-33	0	0	0	108.8
405	K	31.6	Very low	42.5	Very low	201 Å²	201	140.7 Å²	140.7	87%	0.874	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-62.3	136.8	-176.9	-68.2	175.5	178	174.1	0	111.5	K403 A407	K403-K405 PolarHBondContact O-N 2.97Å; K405-A407 PolarHBondContact O-N 3.37Å
406	D	33.7	Very low	45.5	Very low	101 Å²	101	133 Å²	133	54%	0.54	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-57.6	119.8	170.6	-58.1	-72	0	0	0	110.8	W38 A408	W38-D406 HydrophobicContact CB-CB 4.44Å; D406-A408 PolarHBondContact O-N 3.49Å; D406-A408 VanDerWaalsContact O-N 3.11Å
407	A	32.2	Very low	48.2	Very low	70 Å²	70	128.7 Å²	128.7	58%	0.579	64%	0.643	S	S	*	*			trans	-84.3	56.3	166.2	0	0	0	0	0	109.6	K405 G409 L410	K405-A407 PolarHBondContact O-N 3.37Å; A407-G409 VanDerWaalsContact C-N 3.33Å; A407-G409 PolarHBondContact O-N 2.94Å; A407-L410 PolarHBondContact O-N 3.37Å
408	A	39.6	Very low	51.1	Low	49 Å²	49	119.6 Å²	119.6	41%	0.405	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58	89.2	179.4	0	0	0	0	0	110.7	W38 N39 D406	W38-A408 HydrophobicContact CE3-CB 4.3Å; N39-A408 WeakPolarHBondContact O-CB 3.44Å; D406-A408 PolarHBondContact O-N 3.49Å; D406-A408 VanDerWaalsContact O-N 3.11Å
409	G	38	Very low	54.3	Low	55 Å²	55	113 Å²	113	57%	0.567	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	136.2	-5.9	-174.1	0	0	0	0	0	116.4	A407	A407-G409 VanDerWaalsContact C-N 3.33Å; A407-G409 PolarHBondContact O-N 2.94Å
410	L	50.3	Low	57.4	Low	124 Å²	124	103.9 Å²	103.9	65%	0.649	53%	0.529	S	S	*	.			trans	-90.1	111.9	155.5	-103.7	74.1	0	0	0	108.2	R41 A407 C412	R41-L410 CarbonylContact C-O 3.59Å; A407-L410 PolarHBondContact O-N 3.37Å; L410-C412 PolarHBondContact O-N 3.49Å
411	E	58.5	Low	60.6	Low	88 Å²	88	95.2 Å²	95.2	41%	0.411	49%	0.49	S	S	.	.			trans	-55	112	154.1	-58.7	-174.5	144.8	0	0	106.6	E42 W43	E42-E411 HydrophobicContact CB-CB 3.74Å; E42-E411 HydrophobicContact CB-CG 3.68Å; W43-E411 HydrophobicContact CB-CB 4.1Å; W43-E411 VanDerWaalsContact CE2-OE1 3.28Å; W43-E411 HydrophobicContact CG-CB 4.15Å; W43-E411 HydrophobicContact CG-CG 4.45Å; W43-E411 PolarHBondContact NE1-OE1 2.88Å
412	C	70.8	Confident	63.9	Low	77 Å²	77	83.6 Å²	83.6	52%	0.52	45%	0.447	S	S	.	.			trans	-59	158.2	170.1	-63.7	0	0	0	0	107.5	E42 W43 L410	E42-C412 CarbonylContact O-C 3.58Å; E42-C412 VanDerWaalsContact O-CA 3.23Å; E42-C412 WeakPolarHBondContact O-CA 3.22Å; E42-C412 WeakPolarHBondContact O-CB 3.5Å; E42-C412 PolarHBondContact O-N 3.4Å; W43-C412 CarbonylContact C-O 3.49Å; W43-C412 VanDerWaalsContact C-O 3.3Å; W43-C412 WeakPolarHBondContact CA-O 3.4Å; W43-C412 WeakPolarHBondContact CB-O 3.25Å; W43-C412 CarbonylContact O-C 3.3Å; L410-C412 PolarHBondContact O-N 3.49Å
413	K	80.9	Confident	67.2	Low	176 Å²	176	75.1 Å²	75.1	77%	0.765	41%	0.407	S	S	*	.			trans	-89.8	150.4	-170.2	-82.1	-167.7	177.2	-176.9	0	112.9	W43 R415	W43-K413 CarbonylContact O-C 3.02Å; W43-K413 VanDerWaalsContact O-C 3.27Å; K413-R415 PolarHBondContact O-N 3.28Å
414	P	85.7	Confident	70.5	Confident	42 Å²	42	68.4 Å²	68.4	27%	0.273	38%	0.378	S	S	.	.			trans	-37.4	131.2	167.9	-16	5.5	0	0	0	116.1	D44 R45 I267	D44-P414 WeakPolarHBondContact O-CA 3.48Å; D44-P414 WeakPolarHBondContact O-CB 3.35Å; D44-P414 WeakPolarHBondContact O-CD 3.24Å; D44-P414 WeakPolarHBondContact O-CG 3.43Å; R45-P414 HydrophobicContact CB-CB 3.7Å; R45-P414 HydrophobicContact CB-CG 3.89Å; R45-P414 WeakPolarHBondContact O-CB 3.47Å; I267-P414 HydrophobicContact CD1-CB 3.87Å; I267-P414 HydrophobicContact CD1-CG 4.41Å; I267-P414 HydrophobicContact CG1-CB 3.8Å; I267-P414 HydrophobicContact CG1-CG 4.21Å
415	R	86.8	Confident	73.5	Confident	113 Å²	113	62.6 Å²	62.6	43%	0.426	34%	0.34	S	S	.	.			trans	-111.5	109.3	169.3	-53.9	-179.2	-60.7	162.1	4	109.1	R45 D264 K413 L417	R45-R415 CarbonylContact O-C 3.56Å; D264-R415 WeakPolarHBondContact OD1-CB 3.27Å; D264-R415 PolarHBondContact OD1-N 2.86Å; D264-R415 IonicContact OD1-NE 3.71Å; D264-R415 PolarHBondContact OD1-NE 3.35Å; D264-R415 IonicContact OD1-NH2 3.59Å; D264-R415 IonicContact OD2-CZ 3.33Å; D264-R415 IonicContact OD2-NE 3.3Å; D264-R415 IonicContact OD2-NH2 3.36Å; D264-R415 PolarHBondContact OD2-NH2 2.86Å; K413-R415 PolarHBondContact O-N 3.28Å; R415-L417 HydrophobicContact CB-CD2 3.89Å; R415-L417 HydrophobicContact CB-CG 3.98Å; R415-L417 PolarHBondContact O-N 3.23Å
416	P	89.9	Confident	76.4	Confident	45 Å²	45	61 Å²	61	29%	0.292	33%	0.329	S	S	.	.			trans	-77.4	61.5	179.7	32.8	-36.6	0	0	0	111.9	H418 K419	P416-H418 VanDerWaalsContact C-N 3.26Å; P416-H418 VanDerWaalsContact CA-CE1 3.47Å; P416-H418 WeakPolarHBondContact CA-CE1 3.47Å; P416-H418 PolarHBondContact O-N 2.68Å; P416-K419 HydrophobicContact CB-CB 4.4Å; P416-K419 HydrophobicContact CB-CD 4.25Å; P416-K419 WeakPolarHBondContact O-CB 3.48Å; P416-K419 PolarHBondContact O-N 3.02Å
417	L	90.4	Very high	79.2	Confident	37 Å²	37	59.6 Å²	59.6	19%	0.194	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.8	-170	-60.4	178.7	0	0	0	114.6	I255 E258 R415 K419	I255-L417 HydrophobicContact CG1-CB 4.37Å; E258-L417 HydrophobicContact CB-CB 4.07Å; E258-L417 HydrophobicContact CB-CD1 4.23Å; R415-L417 HydrophobicContact CB-CD2 3.89Å; R415-L417 HydrophobicContact CB-CG 3.98Å; R415-L417 PolarHBondContact O-N 3.23Å; L417-K419 VanDerWaalsContact C-N 3.31Å
418	H	89.9	Confident	82.2	Confident	13 Å²	13	56.3 Å²	56.3	6%	0.06	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-19.6	172.4	62.5	-57.8	0	0	0	113.6	G46 R47 E48 D251 V254 I255 P416	G46-H418 VanDerWaalsContact CA-CE1 3.43Å; G46-H418 WeakPolarHBondContact CA-CE1 3.4Å; G46-H418 PolarHBondContact O-CE1 2.69Å; R47-H418 VanDerWaalsContact CA-NE2 3.34Å; R47-H418 WeakPolarHBondContact CA-NE2 3.39Å; R47-H418 PolarHBondContact N-CE1 3.42Å; R47-H418 PolarHBondContact N-NE2 3.47Å; R47-H418 VanDerWaalsContact N-NE2 3.18Å; R47-H418 PolarHBondContact O-NE2 3.19Å; E48-H418 PolarHBondContact N-NE2 2.71Å; D251-H418 HydrophobicContact CB-CB 3.91Å; D251-H418 IonicContact OD2-CD2 3.2Å; D251-H418 PolarHBondContact OD2-CD2 3.2Å; V254-H418 HydrophobicContact CB-CB 4.08Å; V254-H418 HydrophobicContact CG1-CB 4.06Å; I255-H418 HydrophobicContact CD1-CB 4.46Å; I255-H418 HydrophobicContact CG1-CB 4.01Å; P416-H418 VanDerWaalsContact C-N 3.26Å; P416-H418 VanDerWaalsContact CA-CE1 3.47Å; P416-H418 WeakPolarHBondContact CA-CE1 3.47Å; P416-H418 PolarHBondContact O-N 2.68Å
419	K	91.1	Very high	84.7	Confident	53 Å²	53	54.4 Å²	54.4	23%	0.23	28%	0.278	C	S	.	.			trans	-93	113.2	171	-86.6	162.5	169.4	160.3	0	108.5	R47 E48 E271 P416 L417 R471	R47-K419 WeakPolarHBondContact O-CD 3.5Å; R47-K419 WeakPolarHBondContact O-CE 3.5Å; R47-K419 PolarHBondContact O-NZ 3.09Å; E48-K419 WeakPolarHBondContact O-CE 3.44Å; E48-K419 PolarHBondContact O-NZ 3.27Å; E271-K419 IonicContact OE1-NZ 3.61Å; E271-K419 PolarHBondContact OE1-NZ 3.48Å; E271-K419 IonicContact OE2-NZ 2.68Å; E271-K419 PolarHBondContact OE2-NZ 2.84Å; P416-K419 HydrophobicContact CB-CB 4.4Å; P416-K419 HydrophobicContact CB-CD 4.25Å; P416-K419 WeakPolarHBondContact O-CB 3.48Å; P416-K419 PolarHBondContact O-N 3.02Å; L417-K419 VanDerWaalsContact C-N 3.31Å; K419-R471 HydrophobicContact CB-CB 4.38Å; K419-R471 HydrophobicContact CB-CG 4.13Å; K419-R471 WeakPolarHBondContact O-CB 3.37Å
420	T	93.6	Very high	87.2	Confident	8 Å²	8	52.4 Å²	52.4	5%	0.049	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	170.8	167.3	61.9	0	0	0	0	110.5	M448 T468 R471 P637	T420-M448 HydrophobicContact CG2-CE 4.36Å; T420-M448 HydrophobicContact CG2-SD 3.88Å; T420-T468 HydrophobicContact CG2-CG2 3.99Å; T420-R471 PolarHBondContact O-NH1 3.24Å; T420-P637 PolarHBondContact OG1-O 3.05Å
421	C	95.2	Very high	89.1	Confident	9 Å²	9	49.8 Å²	49.8	6%	0.061	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	155.7	163.1	72.5	0	0	0	0	109.6	F469 D470 I475	C421-F469 PolarHBondContact N-O 2.73Å; C421-F469 PolarHBondContact O-N 3.28Å; C421-D470 PolarHBondContact SG-O 3.28Å; C421-I475 HydrophobicContact CB-CB 4.24Å; C421-I475 HydrophobicContact CB-CG1 4.31Å; C421-I475 HydrophobicContact CB-CG2 4.48Å
422	S	96.2	Very high	90.7	Very high	5 Å²	5	45.7 Å²	45.7	4%	0.035	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	156.2	-173.8	48.4	0	0	0	0	114.7	V467 N497 P637	S422-V467 CarbonylContact C-O 3.52Å; S422-V467 WeakPolarHBondContact CA-O 3.48Å; S422-V467 WeakPolarHBondContact CB-O 3.47Å; S422-N497 VanDerWaalsContact O-CB 3.31Å; S422-N497 WeakPolarHBondContact O-CB 3.18Å; S422-N497 PolarHBondContact O-N 3.34Å; S422-N497 WeakPolarHBondContact OG-CB 3.15Å; S422-N497 PolarHBondContact OG-ND2 2.86Å; S422-P637 VanDerWaalsContact CB-CG 3.49Å; S422-P637 WeakPolarHBondContact OG-CB 3.46Å; S422-P637 WeakPolarHBondContact OG-CG 3.32Å
423	L	96.9	Very high	91.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	151.8	166.8	-57.1	-178.6	0	0	0	110.1	W466 V467 F469 I475 I478 C479 L482 P494 G495 V496	L423-W466 VanDerWaalsContact O-CA 3.29Å; L423-W466 WeakPolarHBondContact O-CA 3.29Å; L423-V467 HydrophobicContact CB-CB 4.34Å; L423-V467 PolarHBondContact N-O 2.91Å; L423-V467 PolarHBondContact O-N 2.96Å; L423-F469 HydrophobicContact CD1-CE2 4.14Å; L423-F469 HydrophobicContact CG-CE2 4.22Å; L423-I475 HydrophobicContact CD2-CD1 3.66Å; L423-I475 HydrophobicContact CD2-CG1 3.73Å; L423-I475 HydrophobicContact CG-CD1 3.79Å; L423-I475 HydrophobicContact CG-CG1 4.38Å; L423-I478 HydrophobicContact CD1-CG2 4.04Å; L423-C479 HydrophobicContact CD2-CB 3.6Å; L423-L482 HydrophobicContact CD1-CD1 3.65Å; L423-P494 HydrophobicContact CB-CB 4.31Å; L423-P494 HydrophobicContact CD1-CB 4.23Å; L423-G495 CarbonylContact C-O 3.53Å; L423-G495 WeakPolarHBondContact CA-O 3.04Å; L423-V496 HydrophobicContact CD2-CG2 4.31Å
424	F	97.4	Very high	92.2	Very high	48 Å²	48	38.3 Å²	38.3	21%	0.211	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.9	174.8	169	-116.3	0	0	0	109.8	R426 R464 G465 W466 P494 G495 N497	F424-R426 HydrophobicContact CD1-CG 4.25Å; F424-R426 HydrophobicContact CE1-CG 3.6Å; F424-R426 HydrophobicContact CZ-CG 4.14Å; F424-R464 HydrophobicContact CE2-CB 4Å; F424-R464 HydrophobicContact CE2-CG 4.31Å; F424-G465 CarbonylContact C-O 3.44Å; F424-G465 WeakPolarHBondContact CA-O 3.49Å; F424-W466 HydrophobicContact CD2-CD2 4.2Å; F424-W466 AromaticContact CD2-CE2 3.54Å; F424-W466 AromaticContact CD2-CZ2 3.8Å; F424-W466 HydrophobicContact CD2-CZ2 3.8Å; F424-W466 AromaticContact CD2-NE1 3.45Å; F424-W466 AromaticContact CE2-CE2 3.88Å; F424-W466 HydrophobicContact CE2-CH2 4.23Å; F424-W466 AromaticContact CE2-CZ2 3.61Å; F424-W466 HydrophobicContact CE2-CZ2 3.61Å; F424-P494 WeakPolarHBondContact O-CA 3.16Å; F424-G495 PolarHBondContact N-O 2.76Å; F424-G495 PolarHBondContact O-N 3.43Å; F424-N497 HydrophobicContact CB-CB 4.16Å
425	M	95.4	Very high	92.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.9	176.9	-66.9	171.3	-178.3	0	0	108.9	I428 R464 G465 V467 L492 P494	M425-I428 HydrophobicContact CB-CD1 3.88Å; M425-I428 HydrophobicContact CB-CG1 4Å; M425-I428 HydrophobicContact SD-CD1 4.02Å; M425-R464 WeakPolarHBondContact O-CA 3.44Å; M425-G465 PolarHBondContact N-O 3.3Å; M425-G465 PolarHBondContact O-N 3.05Å; M425-V467 HydrophobicContact CE-CG2 3.85Å; M425-V467 HydrophobicContact SD-CG2 4.35Å; M425-L492 HydrophobicContact CE-CB 4.28Å; M425-L492 HydrophobicContact CE-CD1 4.02Å; M425-L492 HydrophobicContact CG-CB 4.46Å; M425-L492 HydrophobicContact SD-CB 4.15Å; M425-L492 HydrophobicContact SD-CD1 4.34Å; M425-L492 HydrophobicContact SD-CD2 4.14Å; M425-L492 HydrophobicContact SD-CG 4.45Å; M425-P494 HydrophobicContact CE-CB 4.34Å; M425-P494 HydrophobicContact CG-CB 4.09Å
426	R	92.4	Very high	92.9	Very high	169 Å²	169	36 Å²	36	64%	0.638	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	-41.4	-170.9	-70.2	-179.5	179.7	-155.3	0	113.5	F424	F424-R426 HydrophobicContact CD1-CG 4.25Å; F424-R426 HydrophobicContact CE1-CG 3.6Å; F424-R426 HydrophobicContact CZ-CG 4.14Å
427	N	92.6	Very high	93.1	Very high	70 Å²	70	33.8 Å²	33.8	37%	0.374	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	103.6	-170.5	-62.4	-27.1	0	0	0	108	F462	N427-F462 HydrophobicContact CB-CD1 3.83Å; N427-F462 HydrophobicContact CB-CE1 4.18Å
428	I	94.2	Very high	93.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.1	170.3	-60.6	177.7	0	0	0	107.4	M425 I432 I437 L452 F462 R463	M425-I428 HydrophobicContact CB-CD1 3.88Å; M425-I428 HydrophobicContact CB-CG1 4Å; M425-I428 HydrophobicContact SD-CD1 4.02Å; I428-I432 HydrophobicContact CG2-CB 4.25Å; I428-I432 HydrophobicContact CG2-CD1 4.43Å; I428-I432 HydrophobicContact CG2-CG2 4.42Å; I428-I437 HydrophobicContact CD1-CD1 3.98Å; I428-I437 HydrophobicContact CG2-CD1 4.05Å; I428-L452 HydrophobicContact CD1-CD2 3.63Å; I428-F462 WeakPolarHBondContact O-CA 3.38Å; I428-R463 PolarHBondContact N-O 2.65Å; I428-R463 PolarHBondContact O-N 2.84Å
429	A	92.5	Very high	93.6	Very high	9 Å²	9	37.5 Å²	37.5	7%	0.074	20%	0.197	C	C	.	.			trans	-63.3	148.6	177.8	0	0	0	0	0	111.5	N431 I432 F462 R463 C490	A429-N431 VanDerWaalsContact C-N 3.26Å; A429-N431 WeakPolarHBondContact CB-OD1 3.13Å; A429-N431 PolarHBondContact O-N 3.04Å; A429-I432 HydrophobicContact CB-CD1 4.06Å; A429-I432 HydrophobicContact CB-CG1 4.36Å; A429-I432 PolarHBondContact O-N 3.32Å; A429-F462 HydrophobicContact CB-CE1 4.21Å; A429-F462 HydrophobicContact CB-CZ 4.23Å; A429-R463 PolarHBondContact O-NH2 3.43Å; A429-C490 HydrophobicContact CB-CB 4.17Å
430	P	90.6	Very high	93.7	Very high	14 Å²	14	35.9 Å²	35.9	9%	0.091	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-26.6	-178.6	26.1	-34.2	0	0	0	113.3	E194 I432 F461 R463	E194-P430 WeakPolarHBondContact OE1-CB 3.23Å; E194-P430 WeakPolarHBondContact OE1-CG 2.99Å; E194-P430 WeakPolarHBondContact OE2-CB 3.07Å; P430-I432 VanDerWaalsContact C-N 3.31Å; P430-I432 PolarHBondContact O-N 3.25Å; P430-F461 HydrophobicContact CB-CB 4.31Å; P430-F461 HydrophobicContact CG-CB 4.33Å; P430-R463 PolarHBondContact O-NH2 2.87Å
431	N	90.3	Very high	93.8	Very high	69 Å²	69	35.5 Å²	35.5	37%	0.369	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-4.4	177.6	71.4	-15.4	0	0	0	115.6	E194 A429 R488	E194-N431 PolarHBondContact OE1-N 3.01Å; A429-N431 VanDerWaalsContact C-N 3.26Å; A429-N431 WeakPolarHBondContact CB-OD1 3.13Å; A429-N431 PolarHBondContact O-N 3.04Å; N431-R488 PolarHBondContact O-NH1 3.26Å
432	I	92.3	Very high	93.8	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.217	C	C	.	.	S	Bend	trans	-91.6	128.6	175.3	-65.5	167.5	0	0	0	108.8	I428 A429 P430 I437 R463 L487 R488 C490	I428-I432 HydrophobicContact CG2-CB 4.25Å; I428-I432 HydrophobicContact CG2-CD1 4.43Å; I428-I432 HydrophobicContact CG2-CG2 4.42Å; A429-I432 HydrophobicContact CB-CD1 4.06Å; A429-I432 HydrophobicContact CB-CG1 4.36Å; A429-I432 PolarHBondContact O-N 3.32Å; P430-I432 VanDerWaalsContact C-N 3.31Å; P430-I432 PolarHBondContact O-N 3.25Å; I432-I437 HydrophobicContact CG2-CD1 4.03Å; I432-I437 HydrophobicContact CG2-CG1 3.88Å; I432-R463 PolarHBondContact O-NH2 2.84Å; I432-L487 HydrophobicContact CD1-CB 3.99Å; I432-L487 WeakPolarHBondContact CD1-O 3.15Å; I432-L487 HydrophobicContact CG1-CB 4.47Å; I432-L487 HydrophobicContact CG2-CD1 4.2Å; I432-R488 HydrophobicContact CG1-CB 4.28Å; I432-C490 HydrophobicContact CD1-CB 3.56Å
433	S	91.7	Very high	93.7	Very high	28 Å²	28	49 Å²	49	20%	0.196	24%	0.241	C	C	.	.			trans	-82.1	153.1	178.3	64.3	0	0	0	0	112.7	E195 A435 E436 I437	E195-S433 WeakPolarHBondContact OE2-CA 3.39Å; S433-A435 PolarHBondContact O-N 3.22Å; S433-E436 PolarHBondContact N-OE2 3.19Å; S433-E436 PolarHBondContact O-N 3.37Å; S433-E436 VanDerWaalsContact OG-CD 3.3Å; S433-E436 VanDerWaalsContact OG-CG 3.25Å; S433-E436 WeakPolarHBondContact OG-CG 3.47Å; S433-E436 PolarHBondContact OG-N 2.93Å; S433-E436 PolarHBondContact OG-OE2 3.13Å; S433-I437 PolarHBondContact O-N 2.99Å
434	R	91.9	Very high	93.6	Very high	71 Å²	71	50.4 Å²	50.4	27%	0.268	25%	0.246	S	C	.	.	H	α-helix	trans	-56.5	-36.9	168	-171.1	-172.8	176.3	-138.9	7.5	110.9	E195 E436 I437 I438 V450 L452 E635	E195-R434 VanDerWaalsContact CD-N 3.3Å; E195-R434 VanDerWaalsContact OE1-CB 3.22Å; E195-R434 WeakPolarHBondContact OE1-CB 3.04Å; E195-R434 PolarHBondContact OE1-N 3.43Å; E195-R434 PolarHBondContact OE2-N 2.88Å; R434-E436 PolarHBondContact O-N 3.31Å; R434-I437 PolarHBondContact O-N 3.47Å; R434-I438 HydrophobicContact CG-CD1 3.85Å; R434-I438 HydrophobicContact CG-CG1 4.36Å; R434-I438 WeakPolarHBondContact O-CB 2.91Å; R434-I438 VanDerWaalsContact O-CG1 3.25Å; R434-I438 WeakPolarHBondContact O-CG1 2.8Å; R434-I438 PolarHBondContact O-N 2.81Å; R434-V450 HydrophobicContact CG-CB 4.4Å; R434-V450 HydrophobicContact CG-CG1 4.36Å; R434-V450 PolarHBondContact NE-O 2.91Å; R434-V450 PolarHBondContact NH2-O 3.01Å; R434-L452 HydrophobicContact CB-CD1 4.02Å; R434-L452 HydrophobicContact CG-CD1 4.37Å; R434-E635 IonicContact CZ-OE1 3.93Å; R434-E635 IonicContact NE-OE1 3.19Å; R434-E635 PolarHBondContact NE-OE1 3.09Å; R434-E635 IonicContact NH1-OE1 3.19Å; R434-E635 IonicContact NH2-OE1 3.82Å; R434-E635 PolarHBondContact NH2-OE1 2.98Å
435	A	92.4	Very high	93.5	Very high	62 Å²	62	52.8 Å²	52.8	51%	0.512	27%	0.267	S	S	.	.	H	α-helix	trans	-59.4	-40.5	178	0	0	0	0	0	113.2	S433 I438 S439	S433-A435 PolarHBondContact O-N 3.22Å; A435-I438 PolarHBondContact O-N 3.38Å; A435-S439 WeakPolarHBondContact O-CB 3.38Å; A435-S439 PolarHBondContact O-N 2.78Å; A435-S439 PolarHBondContact O-OG 3.22Å
436	E	93.8	Very high	93.4	Very high	43 Å²	43	54.3 Å²	54.3	20%	0.201	28%	0.283	C	S	.	.	H	α-helix	trans	-68.2	-39.4	176.3	-73.3	162.2	131.4	0	0	112.5	S433 R434 S439 L440 R488	S433-E436 PolarHBondContact N-OE2 3.19Å; S433-E436 PolarHBondContact O-N 3.37Å; S433-E436 VanDerWaalsContact OG-CD 3.3Å; S433-E436 VanDerWaalsContact OG-CG 3.25Å; S433-E436 WeakPolarHBondContact OG-CG 3.47Å; S433-E436 PolarHBondContact OG-N 2.93Å; S433-E436 PolarHBondContact OG-OE2 3.13Å; R434-E436 PolarHBondContact O-N 3.31Å; E436-S439 PolarHBondContact O-N 3.01Å; E436-S439 PolarHBondContact O-OG 3.11Å; E436-L440 WeakPolarHBondContact O-CB 3.43Å; E436-L440 PolarHBondContact O-N 3.42Å; E436-R488 IonicContact OE1-CZ 2.8Å; E436-R488 IonicContact OE1-NE 3.31Å; E436-R488 PolarHBondContact OE1-NE 2.87Å; E436-R488 IonicContact OE1-NH2 3.14Å; E436-R488 PolarHBondContact OE1-NH2 2.8Å; E436-R488 IonicContact OE2-CZ 2.72Å; E436-R488 IonicContact OE2-NE 3.04Å; E436-R488 PolarHBondContact OE2-NE 2.93Å; E436-R488 IonicContact OE2-NH2 2.75Å; E436-R488 PolarHBondContact OE2-NH2 3.02Å
437	I	94.5	Very high	93.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68	-40.5	176.5	-56.9	164.4	0	0	0	109.9	I428 I432 S433 R434 L440 C441 V450 L452 V467 L487	I428-I437 HydrophobicContact CD1-CD1 3.98Å; I428-I437 HydrophobicContact CG2-CD1 4.05Å; I432-I437 HydrophobicContact CG2-CD1 4.03Å; I432-I437 HydrophobicContact CG2-CG1 3.88Å; S433-I437 PolarHBondContact O-N 2.99Å; R434-I437 PolarHBondContact O-N 3.47Å; I437-L440 PolarHBondContact O-N 3.29Å; I437-C441 WeakPolarHBondContact O-CB 3.18Å; I437-C441 PolarHBondContact O-N 2.63Å; I437-C441 PolarHBondContact O-SG 2.9Å; I437-V450 HydrophobicContact CB-CG1 4.33Å; I437-V450 HydrophobicContact CG2-CG1 3.88Å; I437-V450 HydrophobicContact CG2-CG2 3.96Å; I437-L452 HydrophobicContact CD1-CD1 4.38Å; I437-L452 HydrophobicContact CD1-CD2 3.91Å; I437-V467 HydrophobicContact CG2-CG2 4.31Å; I437-L487 HydrophobicContact CG1-CD1 4.19Å
438	I	95.3	Very high	93.6	Very high	46 Å²	46	48.3 Å²	48.3	24%	0.236	26%	0.26	C	S	.	.	H	α-helix	trans	-60.6	-49.5	173.3	-69.9	168.1	0	0	0	110.3	R434 A435 L440 C441 K442 F447 V450	R434-I438 HydrophobicContact CG-CD1 3.85Å; R434-I438 HydrophobicContact CG-CG1 4.36Å; R434-I438 WeakPolarHBondContact O-CB 2.91Å; R434-I438 VanDerWaalsContact O-CG1 3.25Å; R434-I438 WeakPolarHBondContact O-CG1 2.8Å; R434-I438 PolarHBondContact O-N 2.81Å; A435-I438 PolarHBondContact O-N 3.38Å; I438-L440 VanDerWaalsContact C-N 3.31Å; I438-L440 PolarHBondContact O-N 3.02Å; I438-C441 PolarHBondContact O-N 3.23Å; I438-C441 VanDerWaalsContact O-N 3.16Å; I438-K442 WeakPolarHBondContact O-CB 3.48Å; I438-K442 PolarHBondContact O-N 2.75Å; I438-F447 HydrophobicContact CB-CZ 4.41Å; I438-F447 HydrophobicContact CG1-CZ 4.16Å; I438-F447 HydrophobicContact CG2-CE1 4.09Å; I438-F447 HydrophobicContact CG2-CZ 4.08Å; I438-V450 HydrophobicContact CG1-CB 4.01Å; I438-V450 HydrophobicContact CG1-CG2 3.67Å
439	S	95.3	Very high	93.7	Very high	82 Å²	82	49.7 Å²	49.7	57%	0.573	27%	0.265	S	S	*	.	H	α-helix	trans	-63.2	-37.4	-178.6	71	0	0	0	0	112.3	A435 E436	A435-S439 WeakPolarHBondContact O-CB 3.38Å; A435-S439 PolarHBondContact O-N 2.78Å; A435-S439 PolarHBondContact O-OG 3.22Å; E436-S439 PolarHBondContact O-N 3.01Å; E436-S439 PolarHBondContact O-OG 3.11Å
440	L	94	Very high	93.9	Very high	18 Å²	18	49.3 Å²	49.3	9%	0.094	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-39.2	173.5	178.6	62.1	0	0	0	112.9	E436 I437 I438 R443 L482 I485 L487 L492	E436-L440 WeakPolarHBondContact O-CB 3.43Å; E436-L440 PolarHBondContact O-N 3.42Å; I437-L440 PolarHBondContact O-N 3.29Å; I438-L440 VanDerWaalsContact C-N 3.31Å; I438-L440 PolarHBondContact O-N 3.02Å; L440-R443 VanDerWaalsContact O-CD 3.23Å; L440-R443 WeakPolarHBondContact O-CD 3.11Å; L440-R443 VanDerWaalsContact O-CG 3.28Å; L440-R443 WeakPolarHBondContact O-CG 3.48Å; L440-R443 PolarHBondContact O-NE 3.19Å; L440-L482 HydrophobicContact CD1-CD2 4.23Å; L440-L482 HydrophobicContact CD2-CD2 4.13Å; L440-L482 HydrophobicContact CG-CD2 4.01Å; L440-I485 HydrophobicContact CD1-CD1 4.35Å; L440-I485 HydrophobicContact CD1-CG2 4.26Å; L440-I485 HydrophobicContact CD2-CG2 4.08Å; L440-L487 HydrophobicContact CD2-CD1 3.91Å; L440-L487 HydrophobicContact CD2-CG 4.21Å; L440-L492 HydrophobicContact CD2-CD1 3.55Å
441	C	94.8	Very high	94.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-87.4	-29.1	-175.2	-61.8	0	0	0	0	113.4	I437 I438 R443 Y444 F447 V467 F469	I437-C441 WeakPolarHBondContact O-CB 3.18Å; I437-C441 PolarHBondContact O-N 2.63Å; I437-C441 PolarHBondContact O-SG 2.9Å; I438-C441 PolarHBondContact O-N 3.23Å; I438-C441 VanDerWaalsContact O-N 3.16Å; C441-R443 PolarHBondContact O-N 2.91Å; C441-R443 VanDerWaalsContact O-N 3.16Å; C441-Y444 WeakPolarHBondContact O-CD2 3.46Å; C441-Y444 PolarHBondContact O-N 2.71Å; C441-F447 HydrophobicContact CB-CD2 3.56Å; C441-F447 HydrophobicContact CB-CE2 3.63Å; C441-F447 HydrophobicContact CB-CG 4.5Å; C441-V467 HydrophobicContact CB-CG1 3.81Å; C441-F469 HydrophobicContact CB-CZ 4.36Å
442	K	95.8	Very high	94.3	Very high	153 Å²	153	46.1 Å²	46.1	67%	0.665	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.4	-179.4	-172.2	172.2	-177.1	179.2	0	113.8	I438 Y444 F447	I438-K442 WeakPolarHBondContact O-CB 3.48Å; I438-K442 PolarHBondContact O-N 2.75Å; K442-Y444 PolarHBondContact O-N 2.67Å; K442-F447 HydrophobicContact CB-CD1 4.01Å; K442-F447 HydrophobicContact CB-CE1 4.33Å; K442-F447 HydrophobicContact CB-CG 4.47Å; K442-F447 HydrophobicContact CG-CD1 4.21Å
443	R	93.9	Very high	94.4	Very high	145 Å²	145	47.4 Å²	47.4	55%	0.547	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-16	172.1	80.4	-166.6	-173.5	175.2	2.9	113.9	L440 C441	L440-R443 VanDerWaalsContact O-CD 3.23Å; L440-R443 WeakPolarHBondContact O-CD 3.11Å; L440-R443 VanDerWaalsContact O-CG 3.28Å; L440-R443 WeakPolarHBondContact O-CG 3.48Å; L440-R443 PolarHBondContact O-NE 3.19Å; C441-R443 PolarHBondContact O-N 2.91Å; C441-R443 VanDerWaalsContact O-N 3.16Å
444	Y	95	Very high	94.3	Very high	29 Å²	29	51 Å²	51	11%	0.114	27%	0.267	C	S	.	.	S	Bend	trans	-94.2	140.6	176	-61.6	-84.1	0	0	0	110.1	C441 K442 I478 N481 L482	C441-Y444 WeakPolarHBondContact O-CD2 3.46Å; C441-Y444 PolarHBondContact O-N 2.71Å; K442-Y444 PolarHBondContact O-N 2.67Å; Y444-I478 HydrophobicContact CD1-CD1 4.3Å; Y444-I478 HydrophobicContact CD1-CG1 3.97Å; Y444-I478 HydrophobicContact CD1-CG2 4.13Å; Y444-I478 HydrophobicContact CD2-CG2 4.13Å; Y444-I478 HydrophobicContact CE1-CG2 4.31Å; Y444-I478 HydrophobicContact CE2-CG2 4.33Å; Y444-I478 HydrophobicContact CG-CD1 4.24Å; Y444-I478 HydrophobicContact CG-CG1 4.34Å; Y444-I478 HydrophobicContact CG-CG2 4.03Å; Y444-N481 HydrophobicContact CE1-CB 4.07Å; Y444-N481 WeakPolarHBondContact OH-CB 3.28Å; Y444-L482 HydrophobicContact CE2-CD1 4.18Å; Y444-L482 HydrophobicContact CE2-CD2 3.69Å; Y444-L482 HydrophobicContact CE2-CG 3.91Å
445	P	94.9	Very high	94.2	Very high	99 Å²	99	48.2 Å²	48.2	64%	0.643	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	150.8	177.4	28.4	-35.4	0	0	0	111.3	F447	P445-F447 PolarHBondContact O-N 2.78Å
446	G	92.9	Very high	94	Very high	32 Å²	32	48.3 Å²	48.3	33%	0.33	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	15.1	179.3	0	0	0	0	0	115.4	M448 F469 D470	G446-M448 PolarHBondContact O-N 3.23Å; G446-F469 CarbonylContact O-C 3.48Å; G446-F469 WeakPolarHBondContact O-CA 3.28Å; G446-D470 PolarHBondContact O-N 3.44Å
447	F	96.6	Very high	93.7	Very high	44 Å²	44	48.8 Å²	48.8	19%	0.193	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	130.4	169.7	169.1	-95.7	0	0	0	111.3	I438 C441 K442 P445 V450 V467 F469	I438-F447 HydrophobicContact CB-CZ 4.41Å; I438-F447 HydrophobicContact CG1-CZ 4.16Å; I438-F447 HydrophobicContact CG2-CE1 4.09Å; I438-F447 HydrophobicContact CG2-CZ 4.08Å; C441-F447 HydrophobicContact CB-CD2 3.56Å; C441-F447 HydrophobicContact CB-CE2 3.63Å; C441-F447 HydrophobicContact CB-CG 4.5Å; K442-F447 HydrophobicContact CB-CD1 4.01Å; K442-F447 HydrophobicContact CB-CE1 4.33Å; K442-F447 HydrophobicContact CB-CG 4.47Å; K442-F447 HydrophobicContact CG-CD1 4.21Å; P445-F447 PolarHBondContact O-N 2.78Å; F447-V450 HydrophobicContact CE2-CG2 3.79Å; F447-V450 HydrophobicContact CZ-CG2 3.95Å; F447-V467 HydrophobicContact CD2-CG1 4.06Å; F447-V467 HydrophobicContact CE2-CG1 3.9Å; F447-F469 HydrophobicContact CB-CD1 4.14Å; F447-F469 HydrophobicContact CB-CE1 3.88Å; F447-F469 HydrophobicContact CD2-CE1 4.16Å; F447-F469 HydrophobicContact CD2-CZ 4.33Å
448	M	93.8	Very high	93.3	Very high	69 Å²	69	56.8 Å²	56.8	34%	0.34	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-65.5	177.3	-58.2	178.4	77.2	0	0	112.3	T420 G446 T468	T420-M448 HydrophobicContact CG2-CE 4.36Å; T420-M448 HydrophobicContact CG2-SD 3.88Å; G446-M448 PolarHBondContact O-N 3.23Å; M448-T468 HydrophobicContact CB-CG2 4.49Å; M448-T468 WeakPolarHBondContact CB-O 3.44Å; M448-T468 PolarHBondContact N-O 3.27Å; M448-T468 HydrophobicContact SD-CG2 4.05Å
449	R	94.9	Very high	93	Very high	30 Å²	30	61.3 Å²	61.3	11%	0.113	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	157.6	-168	48.3	-171	160.8	70.7	-0.1	113.5	E258 T468 E635 M636 P637	E258-R449 IonicContact OE1-CZ 3.85Å; E258-R449 IonicContact OE1-NE 2.67Å; E258-R449 IonicContact OE1-NH2 3.67Å; E258-R449 PolarHBondContact OE1-NH2 3.4Å; R449-T468 PolarHBondContact N-O 3.21Å; R449-T468 PolarHBondContact O-N 3.47Å; R449-E635 PolarHBondContact NH1-O 2.8Å; R449-M636 PolarHBondContact NH1-O 2.71Å; R449-P637 PolarHBondContact NH2-O 2.89Å
450	V	96.6	Very high	92.5	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.9	174.1	179.4	0	0	0	0	109.5	R434 I437 I438 F447 L452 W466 V467	R434-V450 HydrophobicContact CG-CB 4.4Å; R434-V450 HydrophobicContact CG-CG1 4.36Å; R434-V450 PolarHBondContact NE-O 2.91Å; R434-V450 PolarHBondContact NH2-O 3.01Å; I437-V450 HydrophobicContact CB-CG1 4.33Å; I437-V450 HydrophobicContact CG2-CG1 3.88Å; I437-V450 HydrophobicContact CG2-CG2 3.96Å; I438-V450 HydrophobicContact CG1-CB 4.01Å; I438-V450 HydrophobicContact CG1-CG2 3.67Å; F447-V450 HydrophobicContact CE2-CG2 3.79Å; F447-V450 HydrophobicContact CZ-CG2 3.95Å; V450-L452 HydrophobicContact CG1-CD2 4.31Å; V450-L452 HydrophobicContact CG1-CG 4.4Å; V450-W466 WeakPolarHBondContact CA-O 3.46Å; V450-V467 HydrophobicContact CG2-CG1 4.31Å; V450-V467 HydrophobicContact CG2-CG2 4.39Å
451	A	95.4	Very high	92.4	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	143	169.8	0	0	0	0	0	110.2	G465 W466 E635 M636	A451-G465 WeakPolarHBondContact O-CA 3.46Å; A451-W466 HydrophobicContact CB-CB 4.44Å; A451-W466 PolarHBondContact N-O 2.85Å; A451-W466 PolarHBondContact O-N 3.08Å; A451-E635 HydrophobicContact CB-CB 3.59Å; A451-M636 HydrophobicContact CB-CG 4.2Å; A451-M636 HydrophobicContact CB-SD 3.78Å
452	L	94.4	Very high	92.2	Very high	17 Å²	17	68.2 Å²	68.2	9%	0.089	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	138.1	175.2	-61.8	175.4	0	0	0	109.3	I428 R434 I437 V450 R464	I428-L452 HydrophobicContact CD1-CD2 3.63Å; R434-L452 HydrophobicContact CB-CD1 4.02Å; R434-L452 HydrophobicContact CG-CD1 4.37Å; I437-L452 HydrophobicContact CD1-CD1 4.38Å; I437-L452 HydrophobicContact CD1-CD2 3.91Å; V450-L452 HydrophobicContact CG1-CD2 4.31Å; V450-L452 HydrophobicContact CG1-CG 4.4Å; L452-R464 CarbonylContact C-O 3.54Å; L452-R464 WeakPolarHBondContact CA-O 3.41Å
453	S	93.5	Very high	92.2	Very high	27 Å²	27	61.3 Å²	61.3	19%	0.189	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-70.2	160.9	173.4	75.7	0	0	0	0	111.5	R463 R464	S453-R463 WeakPolarHBondContact O-CG 3.27Å; S453-R464 PolarHBondContact N-O 3.46Å; S453-R464 PolarHBondContact OG-N 3.16Å
454	E	89.9	Confident	92.2	Very high	105 Å²	105	59 Å²	59	49%	0.491	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-54.2	137.4	160	-165.1	68.1	179.3	0	0	109.4	K200	K200-E454 IonicContact NZ-OE1 3.96Å
455	P	90.6	Very high	92.3	Very high	11 Å²	11	57.6 Å²	57.6	7%	0.071	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-70	136.6	-179.1	24.2	-31.7	0	0	0	112.2	W196 F461 R463	W196-P455 HydrophobicContact CB-CG 4.35Å; W196-P455 HydrophobicContact CD2-CB 4.42Å; W196-P455 HydrophobicContact CD2-CG 3.54Å; W196-P455 HydrophobicContact CE3-CG 3.36Å; W196-P455 HydrophobicContact CG-CG 3.98Å; W196-P455 HydrophobicContact CH2-CG 4.42Å; W196-P455 HydrophobicContact CZ3-CG 3.83Å; P455-F461 HydrophobicContact CB-CB 3.88Å; P455-F461 HydrophobicContact CB-CD1 4.24Å; P455-F461 WeakPolarHBondContact CB-O 3.38Å; P455-R463 HydrophobicContact CB-CG 3.74Å; P455-R463 HydrophobicContact CG-CG 4.48Å
456	Q	87.9	Confident	92.4	Very high	64 Å²	64	54.8 Å²	54.8	30%	0.299	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-93.1	116.1	-175.1	-55	-164	-54.1	0	0	110.8	E458 R459 F461 F462	Q456-E458 VanDerWaalsContact C-N 3.31Å; Q456-E458 PolarHBondContact O-N 3.1Å; Q456-R459 HydrophobicContact CB-CB 4.28Å; Q456-R459 CarbonylContact O-C 3.14Å; Q456-R459 WeakPolarHBondContact O-CA 3.26Å; Q456-R459 PolarHBondContact O-N 3.38Å; Q456-F461 WeakPolarHBondContact O-CA 3.26Å; Q456-F461 PolarHBondContact O-N 2.86Å; Q456-F462 PolarHBondContact N-O 3.42Å
457	P	87.1	Confident	92.6	Very high	54 Å²	54	53.3 Å²	53.3	35%	0.351	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-61.7	-37.9	-176.7	22.7	-32.7	0	0	0	112.4	R459 R460 F461 A761	P457-R459 PolarHBondContact O-N 2.97Å; P457-R459 VanDerWaalsContact O-N 3.07Å; P457-R460 PolarHBondContact O-N 3.49Å; P457-R460 VanDerWaalsContact O-N 3.07Å; P457-F461 HydrophobicContact CB-CD1 4.4Å; P457-F461 HydrophobicContact CB-CE1 3.71Å; P457-F461 HydrophobicContact CB-CZ 4Å; P457-A761 WeakPolarHBondContact CB-O 3.2Å
458	E	86.2	Confident	92.6	Very high	168 Å²	168	51.2 Å²	51.2	79%	0.785	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-54.4	-25.5	172.3	-62.9	173.2	-163.6	0	0	113.9	Q456	Q456-E458 VanDerWaalsContact C-N 3.31Å; Q456-E458 PolarHBondContact O-N 3.1Å
459	R	88.5	Confident	92.7	Very high	140 Å²	140	47.9 Å²	47.9	53%	0.528	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-112.4	33.4	-179.1	-64.1	-176.3	170	-92.6	-12	111.6	Q456 P457 F461 F462	Q456-R459 HydrophobicContact CB-CB 4.28Å; Q456-R459 CarbonylContact O-C 3.14Å; Q456-R459 WeakPolarHBondContact O-CA 3.26Å; Q456-R459 PolarHBondContact O-N 3.38Å; P457-R459 PolarHBondContact O-N 2.97Å; P457-R459 VanDerWaalsContact O-N 3.07Å; R459-F461 VanDerWaalsContact C-N 3.25Å; R459-F461 PolarHBondContact O-N 3.46Å; R459-F462 HydrophobicContact CB-CB 4.36Å; R459-F462 WeakPolarHBondContact O-CB 3.05Å; R459-F462 WeakPolarHBondContact O-CD2 3.21Å; R459-F462 PolarHBondContact O-N 3.49Å; R459-F462 VanDerWaalsContact O-N 3.07Å
460	R	86.5	Confident	92.7	Very high	179 Å²	179	49.7 Å²	49.7	68%	0.675	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	43.4	-179.4	-55.7	-179	179.8	-175.5	-2.1	112.4	P457 F462	P457-R460 PolarHBondContact O-N 3.49Å; P457-R460 VanDerWaalsContact O-N 3.07Å; R460-F462 HydrophobicContact CB-CD2 4.4Å; R460-F462 PolarHBondContact O-N 3.03Å; R460-F462 VanDerWaalsContact O-N 3.15Å
461	F	90.5	Very high	92.6	Very high	5 Å²	5	54.4 Å²	54.4	2%	0.022	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	19.6	-179.3	-54.3	-75	0	0	0	115.6	F187 H191 W196 P430 P455 Q456 P457 R459 P760 L762	F187-F461 AromaticContact CE2-CE2 3.71Å; F187-F461 HydrophobicContact CE2-CE2 3.71Å; F187-F461 AromaticContact CE2-CZ 3.71Å; F187-F461 HydrophobicContact CE2-CZ 3.71Å; F187-F461 HydrophobicContact CZ-CE1 4.38Å; F187-F461 HydrophobicContact CZ-CE2 4Å; F187-F461 AromaticContact CZ-CZ 3.72Å; F187-F461 HydrophobicContact CZ-CZ 3.72Å; H191-F461 AromaticContact CE1-CD2 3.93Å; W196-F461 AromaticContact CH2-CD1 3.99Å; W196-F461 HydrophobicContact CH2-CD1 3.99Å; W196-F461 HydrophobicContact CH2-CE1 4.25Å; W196-F461 HydrophobicContact CZ2-CB 4.36Å; W196-F461 HydrophobicContact CZ2-CD1 4.04Å; W196-F461 HydrophobicContact CZ2-CG 4.11Å; P430-F461 HydrophobicContact CB-CB 4.31Å; P430-F461 HydrophobicContact CG-CB 4.33Å; P455-F461 HydrophobicContact CB-CB 3.88Å; P455-F461 HydrophobicContact CB-CD1 4.24Å; P455-F461 WeakPolarHBondContact CB-O 3.38Å; Q456-F461 WeakPolarHBondContact O-CA 3.26Å; Q456-F461 PolarHBondContact O-N 2.86Å; P457-F461 HydrophobicContact CB-CD1 4.4Å; P457-F461 HydrophobicContact CB-CE1 3.71Å; P457-F461 HydrophobicContact CB-CZ 4Å; R459-F461 VanDerWaalsContact C-N 3.25Å; R459-F461 PolarHBondContact O-N 3.46Å; F461-P760 HydrophobicContact CE1-CB 3.88Å; F461-P760 HydrophobicContact CZ-CB 4.41Å; F461-L762 HydrophobicContact CE2-CD2 3.79Å; F461-L762 HydrophobicContact CE2-CG 4.38Å
462	F	92.1	Very high	92.4	Very high	62 Å²	62	59 Å²	59	27%	0.272	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-62.3	140.2	168.8	-84.7	-112.5	0	0	0	111.1	N427 I428 A429 Q456 R459 R460	N427-F462 HydrophobicContact CB-CD1 3.83Å; N427-F462 HydrophobicContact CB-CE1 4.18Å; I428-F462 WeakPolarHBondContact O-CA 3.38Å; A429-F462 HydrophobicContact CB-CE1 4.21Å; A429-F462 HydrophobicContact CB-CZ 4.23Å; Q456-F462 PolarHBondContact N-O 3.42Å; R459-F462 HydrophobicContact CB-CB 4.36Å; R459-F462 WeakPolarHBondContact O-CB 3.05Å; R459-F462 WeakPolarHBondContact O-CD2 3.21Å; R459-F462 PolarHBondContact O-N 3.49Å; R459-F462 VanDerWaalsContact O-N 3.07Å; R460-F462 HydrophobicContact CB-CD2 4.4Å; R460-F462 PolarHBondContact O-N 3.03Å; R460-F462 VanDerWaalsContact O-N 3.15Å
463	R	94.1	Very high	92.5	Very high	7 Å²	7	59.5 Å²	59.5	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	157.6	178.2	-65.7	174.2	-68.4	173.1	2.2	110.5	E195 I428 A429 P430 I432 S453 P455	E195-R463 IonicContact OE2-NH1 2.94Å; E195-R463 PolarHBondContact OE2-NH1 2.7Å; I428-R463 PolarHBondContact N-O 2.65Å; I428-R463 PolarHBondContact O-N 2.84Å; A429-R463 PolarHBondContact O-NH2 3.43Å; P430-R463 PolarHBondContact O-NH2 2.87Å; I432-R463 PolarHBondContact O-NH2 2.84Å; S453-R463 WeakPolarHBondContact O-CG 3.27Å; P455-R463 HydrophobicContact CB-CG 3.74Å; P455-R463 HydrophobicContact CG-CG 4.48Å
464	R	95.1	Very high	92.6	Very high	96 Å²	96	61.8 Å²	61.8	36%	0.362	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	141.4	166.3	-63.5	176.6	-164.7	-178.8	8.8	108.5	F424 M425 L452 S453 W466	F424-R464 HydrophobicContact CE2-CB 4Å; F424-R464 HydrophobicContact CE2-CG 4.31Å; M425-R464 WeakPolarHBondContact O-CA 3.44Å; L452-R464 CarbonylContact C-O 3.54Å; L452-R464 WeakPolarHBondContact CA-O 3.41Å; S453-R464 PolarHBondContact N-O 3.46Å; S453-R464 PolarHBondContact OG-N 3.16Å; R464-W466 HydrophobicContact CB-CH2 3.7Å; R464-W466 HydrophobicContact CB-CZ2 4.49Å; R464-W466 HydrophobicContact CB-CZ3 3.81Å
465	G	95.8	Very high	92.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.8	179.8	0	0	0	0	0	112.8	F424 M425 A451	F424-G465 CarbonylContact C-O 3.44Å; F424-G465 WeakPolarHBondContact CA-O 3.49Å; M425-G465 PolarHBondContact N-O 3.3Å; M425-G465 PolarHBondContact O-N 3.05Å; A451-G465 WeakPolarHBondContact O-CA 3.46Å
466	W	97.4	Very high	93.1	Very high	41 Å²	41	64.6 Å²	64.6	16%	0.155	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131	167.2	-65.7	-98.8	0	0	0	109.5	L423 F424 V450 A451 R464 M636 P637	L423-W466 VanDerWaalsContact O-CA 3.29Å; L423-W466 WeakPolarHBondContact O-CA 3.29Å; F424-W466 HydrophobicContact CD2-CD2 4.2Å; F424-W466 AromaticContact CD2-CE2 3.54Å; F424-W466 AromaticContact CD2-CZ2 3.8Å; F424-W466 HydrophobicContact CD2-CZ2 3.8Å; F424-W466 AromaticContact CD2-NE1 3.45Å; F424-W466 AromaticContact CE2-CE2 3.88Å; F424-W466 HydrophobicContact CE2-CH2 4.23Å; F424-W466 AromaticContact CE2-CZ2 3.61Å; F424-W466 HydrophobicContact CE2-CZ2 3.61Å; V450-W466 WeakPolarHBondContact CA-O 3.46Å; A451-W466 HydrophobicContact CB-CB 4.44Å; A451-W466 PolarHBondContact N-O 2.85Å; A451-W466 PolarHBondContact O-N 3.08Å; R464-W466 HydrophobicContact CB-CH2 3.7Å; R464-W466 HydrophobicContact CB-CZ2 4.49Å; R464-W466 HydrophobicContact CB-CZ3 3.81Å; W466-M636 HydrophobicContact CB-SD 4.38Å; W466-M636 HydrophobicContact CD2-CE 3.69Å; W466-M636 HydrophobicContact CD2-SD 3.7Å; W466-M636 HydrophobicContact CE3-CE 3.94Å; W466-M636 HydrophobicContact CE3-SD 3.51Å; W466-M636 VanDerWaalsContact CE3-SD 3.51Å; W466-M636 HydrophobicContact CG-CE 4.14Å; W466-M636 HydrophobicContact CG-SD 4.09Å; W466-M636 HydrophobicContact CH2-CE 4.3Å; W466-M636 HydrophobicContact CZ2-CE 4.08Å; W466-M636 HydrophobicContact CZ3-CE 4.24Å; W466-M636 HydrophobicContact CZ3-SD 4.03Å; W466-P637 HydrophobicContact CB-CG 3.92Å; W466-P637 HydrophobicContact CG-CG 4.32Å
467	V	97.5	Very high	93.4	Very high	0 Å²	0	67 Å²	67	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118.2	175.7	-171.1	0	0	0	0	107.4	S422 L423 M425 I437 C441 F447 V450 F469	S422-V467 CarbonylContact C-O 3.52Å; S422-V467 WeakPolarHBondContact CA-O 3.48Å; S422-V467 WeakPolarHBondContact CB-O 3.47Å; L423-V467 HydrophobicContact CB-CB 4.34Å; L423-V467 PolarHBondContact N-O 2.91Å; L423-V467 PolarHBondContact O-N 2.96Å; M425-V467 HydrophobicContact CE-CG2 3.85Å; M425-V467 HydrophobicContact SD-CG2 4.35Å; I437-V467 HydrophobicContact CG2-CG2 4.31Å; C441-V467 HydrophobicContact CB-CG1 3.81Å; F447-V467 HydrophobicContact CD2-CG1 4.06Å; F447-V467 HydrophobicContact CE2-CG1 3.9Å; V450-V467 HydrophobicContact CG2-CG1 4.31Å; V450-V467 HydrophobicContact CG2-CG2 4.39Å; V467-F469 HydrophobicContact CB-CE2 3.99Å; V467-F469 HydrophobicContact CG1-CD2 4.18Å; V467-F469 HydrophobicContact CG1-CE2 3.36Å; V467-F469 HydrophobicContact CG1-CZ 3.69Å
468	T	97.1	Very high	93.8	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	133.8	-175	-48.4	0	0	0	0	110.2	T420 M448 R449 P637	T420-T468 HydrophobicContact CG2-CG2 3.99Å; M448-T468 HydrophobicContact CB-CG2 4.49Å; M448-T468 WeakPolarHBondContact CB-O 3.44Å; M448-T468 PolarHBondContact N-O 3.27Å; M448-T468 HydrophobicContact SD-CG2 4.05Å; R449-T468 PolarHBondContact N-O 3.21Å; R449-T468 PolarHBondContact O-N 3.47Å; T468-P637 HydrophobicContact CG2-CB 4.18Å; T468-P637 WeakPolarHBondContact OG1-CA 2.98Å; T468-P637 WeakPolarHBondContact OG1-CG 3.43Å
469	F	96.6	Very high	94.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	156.2	177.4	-65.8	-92.2	0	0	0	110.2	C421 L423 C441 G446 F447 V467 I475 I478	C421-F469 PolarHBondContact N-O 2.73Å; C421-F469 PolarHBondContact O-N 3.28Å; L423-F469 HydrophobicContact CD1-CE2 4.14Å; L423-F469 HydrophobicContact CG-CE2 4.22Å; C441-F469 HydrophobicContact CB-CZ 4.36Å; G446-F469 CarbonylContact O-C 3.48Å; G446-F469 WeakPolarHBondContact O-CA 3.28Å; F447-F469 HydrophobicContact CB-CD1 4.14Å; F447-F469 HydrophobicContact CB-CE1 3.88Å; F447-F469 HydrophobicContact CD2-CE1 4.16Å; F447-F469 HydrophobicContact CD2-CZ 4.33Å; V467-F469 HydrophobicContact CB-CE2 3.99Å; V467-F469 HydrophobicContact CG1-CD2 4.18Å; V467-F469 HydrophobicContact CG1-CE2 3.36Å; V467-F469 HydrophobicContact CG1-CZ 3.69Å; F469-I475 HydrophobicContact CB-CD1 4.34Å; F469-I475 HydrophobicContact CD2-CD1 3.54Å; F469-I475 HydrophobicContact CE2-CD1 4.14Å; F469-I475 HydrophobicContact CG-CD1 4.16Å; F469-I478 HydrophobicContact CD1-CD1 3.99Å; F469-I478 HydrophobicContact CE1-CD1 3.89Å; F469-I478 HydrophobicContact CE1-CG2 4.39Å; F469-I478 HydrophobicContact CE2-CG2 4.24Å; F469-I478 HydrophobicContact CZ-CD1 4.32Å; F469-I478 HydrophobicContact CZ-CG2 3.86Å
470	D	95	Very high	94.6	Very high	68 Å²	68	60.2 Å²	60.2	36%	0.364	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	147.2	168.2	179.5	15.2	0	0	0	111.1	C421 G446 S472 V473	C421-D470 PolarHBondContact SG-O 3.28Å; G446-D470 PolarHBondContact O-N 3.44Å; D470-S472 VanDerWaalsContact CG-OG 3.22Å; D470-S472 PolarHBondContact O-N 2.79Å; D470-S472 PolarHBondContact OD1-N 2.95Å; D470-S472 WeakPolarHBondContact OD2-CB 3.27Å; D470-S472 PolarHBondContact OD2-OG 3.42Å; D470-V473 HydrophobicContact CB-CG2 4.44Å; D470-V473 PolarHBondContact O-N 2.56Å
471	R	93	Very high	94.9	Very high	99 Å²	99	56 Å²	56	37%	0.374	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.5	179.6	-165	61.7	171.2	-158.1	1.4	113.3	K419 T420 V473 D499	K419-R471 HydrophobicContact CB-CB 4.38Å; K419-R471 HydrophobicContact CB-CG 4.13Å; K419-R471 WeakPolarHBondContact O-CB 3.37Å; T420-R471 PolarHBondContact O-NH1 3.24Å; R471-V473 PolarHBondContact O-N 2.85Å; R471-D499 IonicContact CZ-OD2 3.69Å; R471-D499 VanDerWaalsContact CZ-OD2 3.28Å; R471-D499 VanDerWaalsContact NH1-CG 3.3Å; R471-D499 IonicContact NH1-OD1 2.9Å; R471-D499 PolarHBondContact NH1-OD1 3.47Å; R471-D499 IonicContact NH1-OD2 2.7Å; R471-D499 PolarHBondContact NH1-OD2 2.94Å; R471-D499 IonicContact NH2-OD2 3.66Å; R471-D499 PolarHBondContact NH2-OD2 3.43Å
472	S	92.3	Very high	95.1	Very high	96 Å²	96	55.7 Å²	55.7	67%	0.671	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.8	177.7	67.7	0	0	0	0	114.5	D470	D470-S472 VanDerWaalsContact CG-OG 3.22Å; D470-S472 PolarHBondContact O-N 2.79Å; D470-S472 PolarHBondContact OD1-N 2.95Å; D470-S472 WeakPolarHBondContact OD2-CB 3.27Å; D470-S472 PolarHBondContact OD2-OG 3.42Å
473	V	95	Very high	95.1	Very high	28 Å²	28	55.6 Å²	55.6	17%	0.17	26%	0.26	C	S	.	.	S	Bend	trans	-101.3	143.7	-167.1	-172.9	0	0	0	0	112.9	D470 R471 I475 I478	D470-V473 HydrophobicContact CB-CG2 4.44Å; D470-V473 PolarHBondContact O-N 2.56Å; R471-V473 PolarHBondContact O-N 2.85Å; V473-I475 PolarHBondContact O-N 3.25Å; V473-I478 HydrophobicContact CG1-CD1 3.4Å; V473-I478 VanDerWaalsContact CG1-CD1 3.4Å; V473-I478 HydrophobicContact CG1-CG1 4.33Å
474	N	95.7	Very high	94.8	Very high	75 Å²	75	61.5 Å²	61.5	40%	0.401	29%	0.293	S	S	.	.			trans	-74.3	85.9	172.9	-167.7	-9.3	0	0	0	112.2	K476 E477 I478	N474-K476 PolarHBondContact O-N 3.45Å; N474-K476 VanDerWaalsContact O-N 3.08Å; N474-K476 PolarHBondContact OD1-N 2.89Å; N474-E477 HydrophobicContact CB-CB 4.44Å; N474-E477 HydrophobicContact CB-CG 4.37Å; N474-E477 WeakPolarHBondContact ND2-CG 3.43Å; N474-E477 PolarHBondContact ND2-OE1 3.49Å; N474-E477 PolarHBondContact O-N 2.84Å; N474-E477 VanDerWaalsContact O-N 3.13Å; N474-I478 PolarHBondContact O-N 2.74Å
475	I	95.6	Very high	94.6	Very high	20 Å²	20	59 Å²	59	10%	0.103	29%	0.286	C	S	.	.	H	α-helix	trans	-56.5	-25.5	-179.6	-161.5	58.1	0	0	0	114.3	C421 L423 F469 V473 C479 V496	C421-I475 HydrophobicContact CB-CB 4.24Å; C421-I475 HydrophobicContact CB-CG1 4.31Å; C421-I475 HydrophobicContact CB-CG2 4.48Å; L423-I475 HydrophobicContact CD2-CD1 3.66Å; L423-I475 HydrophobicContact CD2-CG1 3.73Å; L423-I475 HydrophobicContact CG-CD1 3.79Å; L423-I475 HydrophobicContact CG-CG1 4.38Å; F469-I475 HydrophobicContact CB-CD1 4.34Å; F469-I475 HydrophobicContact CD2-CD1 3.54Å; F469-I475 HydrophobicContact CE2-CD1 4.14Å; F469-I475 HydrophobicContact CG-CD1 4.16Å; V473-I475 PolarHBondContact O-N 3.25Å; I475-C479 VanDerWaalsContact O-CB 3.29Å; I475-C479 WeakPolarHBondContact O-CB 3.31Å; I475-C479 PolarHBondContact O-N 3.39Å; I475-V496 HydrophobicContact CG1-CG1 4.39Å; I475-V496 HydrophobicContact CG2-CG1 3.8Å; I475-V496 HydrophobicContact CG2-CG2 4.37Å
476	K	95.8	Very high	94.4	Very high	154 Å²	154	66.8 Å²	66.8	67%	0.67	32%	0.316	S	S	*	.	H	α-helix	trans	-72	-38.9	179.4	-65.2	175.6	-178.6	170.9	0	111.7	N474 C479 W480 V496	N474-K476 PolarHBondContact O-N 3.45Å; N474-K476 VanDerWaalsContact O-N 3.08Å; N474-K476 PolarHBondContact OD1-N 2.89Å; K476-C479 WeakPolarHBondContact O-CB 3.36Å; K476-C479 PolarHBondContact O-N 3.33Å; K476-W480 WeakPolarHBondContact O-CB 3.45Å; K476-W480 PolarHBondContact O-N 3.4Å; K476-V496 HydrophobicContact CG-CG2 4.32Å
477	E	95.3	Very high	94	Very high	116 Å²	116	66.3 Å²	66.3	54%	0.542	32%	0.316	S	S	.	.	H	α-helix	trans	-68	-42.3	175.9	-73	169.6	-158.8	0	0	111	N474 C479 W480 N481	N474-E477 HydrophobicContact CB-CB 4.44Å; N474-E477 HydrophobicContact CB-CG 4.37Å; N474-E477 WeakPolarHBondContact ND2-CG 3.43Å; N474-E477 PolarHBondContact ND2-OE1 3.49Å; N474-E477 PolarHBondContact O-N 2.84Å; N474-E477 VanDerWaalsContact O-N 3.13Å; E477-C479 PolarHBondContact O-N 2.91Å; E477-W480 PolarHBondContact O-N 2.87Å; E477-N481 WeakPolarHBondContact O-CB 3.37Å; E477-N481 PolarHBondContact O-N 3.45Å; E477-N481 PolarHBondContact O-ND2 3.48Å; E477-N481 VanDerWaalsContact O-ND2 3.15Å
478	I	95.4	Very high	93.3	Very high	8 Å²	8	73 Å²	73	4%	0.041	34%	0.341	C	S	.	.	H	α-helix	trans	-62.4	-43.6	174.4	-59.4	-176	0	0	0	110.8	L423 Y444 F469 V473 N474 W480 N481 L482	L423-I478 HydrophobicContact CD1-CG2 4.04Å; Y444-I478 HydrophobicContact CD1-CD1 4.3Å; Y444-I478 HydrophobicContact CD1-CG1 3.97Å; Y444-I478 HydrophobicContact CD1-CG2 4.13Å; Y444-I478 HydrophobicContact CD2-CG2 4.13Å; Y444-I478 HydrophobicContact CE1-CG2 4.31Å; Y444-I478 HydrophobicContact CE2-CG2 4.33Å; Y444-I478 HydrophobicContact CG-CD1 4.24Å; Y444-I478 HydrophobicContact CG-CG1 4.34Å; Y444-I478 HydrophobicContact CG-CG2 4.03Å; F469-I478 HydrophobicContact CD1-CD1 3.99Å; F469-I478 HydrophobicContact CE1-CD1 3.89Å; F469-I478 HydrophobicContact CE1-CG2 4.39Å; F469-I478 HydrophobicContact CE2-CG2 4.24Å; F469-I478 HydrophobicContact CZ-CD1 4.32Å; F469-I478 HydrophobicContact CZ-CG2 3.86Å; V473-I478 HydrophobicContact CG1-CD1 3.4Å; V473-I478 VanDerWaalsContact CG1-CD1 3.4Å; V473-I478 HydrophobicContact CG1-CG1 4.33Å; N474-I478 PolarHBondContact O-N 2.74Å; I478-W480 VanDerWaalsContact C-N 3.33Å; I478-W480 PolarHBondContact O-N 2.92Å; I478-N481 PolarHBondContact O-N 3.01Å; I478-L482 HydrophobicContact CG2-CD1 3.89Å; I478-L482 HydrophobicContact CG2-CG 4.44Å; I478-L482 WeakPolarHBondContact O-CB 3.43Å; I478-L482 WeakPolarHBondContact O-CG 3.3Å; I478-L482 PolarHBondContact O-N 3.43Å
479	C	95.7	Very high	92.8	Very high	13 Å²	13	81.7 Å²	81.7	9%	0.088	38%	0.382	C	S	.	.	H	α-helix	trans	-56.2	-46.8	174.9	-164.5	0	0	0	0	111.8	L423 I475 K476 E477 L482 Q483 P494 V496	L423-C479 HydrophobicContact CD2-CB 3.6Å; I475-C479 VanDerWaalsContact O-CB 3.29Å; I475-C479 WeakPolarHBondContact O-CB 3.31Å; I475-C479 PolarHBondContact O-N 3.39Å; K476-C479 WeakPolarHBondContact O-CB 3.36Å; K476-C479 PolarHBondContact O-N 3.33Å; E477-C479 PolarHBondContact O-N 2.91Å; C479-L482 PolarHBondContact O-N 3.41Å; C479-Q483 PolarHBondContact O-N 2.79Å; C479-Q483 VanDerWaalsContact O-N 3.1Å; C479-P494 PolarHBondContact SG-O 2.82Å; C479-V496 HydrophobicContact CB-CG2 3.74Å
480	W	95.3	Very high	92.4	Very high	198 Å²	198	82.6 Å²	82.6	75%	0.75	39%	0.388	S	S	*	.	H	α-helix	trans	-63.7	-45.7	178.2	-176.2	-104.9	0	0	0	112.3	K476 E477 I478 L482 Q483	K476-W480 WeakPolarHBondContact O-CB 3.45Å; K476-W480 PolarHBondContact O-N 3.4Å; E477-W480 PolarHBondContact O-N 2.87Å; I478-W480 VanDerWaalsContact C-N 3.33Å; I478-W480 PolarHBondContact O-N 2.92Å; W480-L482 PolarHBondContact O-N 2.87Å; W480-Q483 VanDerWaalsContact O-CB 3.27Å; W480-Q483 WeakPolarHBondContact O-CB 3.23Å; W480-Q483 PolarHBondContact O-N 3.37Å; W480-Q483 VanDerWaalsContact O-N 3.13Å
481	N	93.5	Very high	92.2	Very high	89 Å²	89	82.8 Å²	82.8	48%	0.476	39%	0.386	S	S	.	.	H	α-helix	trans	-66.3	-22.5	179.6	-68.1	-26.9	0	0	0	113.6	Y444 E477 I478 I485	Y444-N481 HydrophobicContact CE1-CB 4.07Å; Y444-N481 WeakPolarHBondContact OH-CB 3.28Å; E477-N481 WeakPolarHBondContact O-CB 3.37Å; E477-N481 PolarHBondContact O-N 3.45Å; E477-N481 PolarHBondContact O-ND2 3.48Å; E477-N481 VanDerWaalsContact O-ND2 3.15Å; I478-N481 PolarHBondContact O-N 3.01Å; N481-I485 WeakPolarHBondContact O-CD1 3.17Å
482	L	93.1	Very high	91.9	Very high	0 Å²	0	78.1 Å²	78.1	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-95.6	-8.5	175.1	-71.8	175.9	0	0	0	113.6	L423 L440 Y444 I478 C479 W480 N484 I485 P494	L423-L482 HydrophobicContact CD1-CD1 3.65Å; L440-L482 HydrophobicContact CD1-CD2 4.23Å; L440-L482 HydrophobicContact CD2-CD2 4.13Å; L440-L482 HydrophobicContact CG-CD2 4.01Å; Y444-L482 HydrophobicContact CE2-CD1 4.18Å; Y444-L482 HydrophobicContact CE2-CD2 3.69Å; Y444-L482 HydrophobicContact CE2-CG 3.91Å; I478-L482 HydrophobicContact CG2-CD1 3.89Å; I478-L482 HydrophobicContact CG2-CG 4.44Å; I478-L482 WeakPolarHBondContact O-CB 3.43Å; I478-L482 WeakPolarHBondContact O-CG 3.3Å; I478-L482 PolarHBondContact O-N 3.43Å; C479-L482 PolarHBondContact O-N 3.41Å; W480-L482 PolarHBondContact O-N 2.87Å; L482-N484 PolarHBondContact O-N 3.14Å; L482-I485 HydrophobicContact CD2-CD1 4.01Å; L482-I485 PolarHBondContact O-N 3.4Å; L482-P494 HydrophobicContact CB-CG 3.73Å
483	Q	92.2	Very high	91.9	Very high	59 Å²	59	75.2 Å²	75.2	28%	0.276	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-45.5	-168.3	-177.2	60	47.8	0	0	113.8	C479 W480 P494	C479-Q483 PolarHBondContact O-N 2.79Å; C479-Q483 VanDerWaalsContact O-N 3.1Å; W480-Q483 VanDerWaalsContact O-CB 3.27Å; W480-Q483 WeakPolarHBondContact O-CB 3.23Å; W480-Q483 PolarHBondContact O-N 3.37Å; W480-Q483 VanDerWaalsContact O-N 3.13Å; Q483-P494 PolarHBondContact OE1-O 2.98Å
484	N	89.1	Confident	91.9	Very high	132 Å²	132	74 Å²	74	71%	0.706	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	18.4	-173.4	-62.9	-25.7	0	0	0	113	L482	L482-N484 PolarHBondContact O-N 3.14Å
485	I	90.8	Very high	91.9	Very high	44 Å²	44	71.9 Å²	71.9	23%	0.226	34%	0.337	C	S	.	.			trans	-89.2	131.6	178.8	-60.8	-171.1	0	0	0	110	L440 N481 L482 L492	L440-I485 HydrophobicContact CD1-CD1 4.35Å; L440-I485 HydrophobicContact CD1-CG2 4.26Å; L440-I485 HydrophobicContact CD2-CG2 4.08Å; N481-I485 WeakPolarHBondContact O-CD1 3.17Å; L482-I485 HydrophobicContact CD2-CD1 4.01Å; L482-I485 PolarHBondContact O-N 3.4Å; I485-L492 PolarHBondContact O-N 3.31Å
486	R	90.6	Very high	92	Very high	163 Å²	163	73.9 Å²	73.9	62%	0.615	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	136.1	175.1	-61.2	-172.3	173.3	177.3	-3.9	110.7	C490 E491	R486-C490 CarbonylContact C-O 3.33Å; R486-C490 WeakPolarHBondContact CA-O 3.11Å; R486-E491 HydrophobicContact CG-CB 4.04Å; R486-E491 HydrophobicContact CG-CG 4.27Å; R486-E491 IonicContact CZ-OE2 3.23Å; R486-E491 VanDerWaalsContact CZ-OE2 3.31Å; R486-E491 IonicContact NE-OE2 3.82Å; R486-E491 PolarHBondContact NE-OE2 3.44Å; R486-E491 IonicContact NH2-OE2 3.84Å; R486-E491 PolarHBondContact NH2-OE2 2.76Å
487	L	89.6	Confident	91.9	Very high	31 Å²	31	68.7 Å²	68.7	16%	0.162	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.4	171.5	-87.2	175.3	0	0	0	107.7	I432 I437 L440 E489 C490 L492	I432-L487 HydrophobicContact CD1-CB 3.99Å; I432-L487 WeakPolarHBondContact CD1-O 3.15Å; I432-L487 HydrophobicContact CG1-CB 4.47Å; I432-L487 HydrophobicContact CG2-CD1 4.2Å; I437-L487 HydrophobicContact CG1-CD1 4.19Å; L440-L487 HydrophobicContact CD2-CD1 3.91Å; L440-L487 HydrophobicContact CD2-CG 4.21Å; L487-E489 PolarHBondContact O-N 3.01Å; L487-C490 PolarHBondContact N-O 3.45Å; L487-C490 WeakPolarHBondContact O-CB 3.36Å; L487-C490 PolarHBondContact O-N 2.99Å; L487-L492 HydrophobicContact CD1-CD1 4.02Å; L487-L492 HydrophobicContact CD1-CD2 4.28Å; L487-L492 HydrophobicContact CG-CD1 4.41Å
488	R	82.9	Confident	91.9	Very high	139 Å²	139	73 Å²	73	53%	0.525	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	44	52	-178.7	-57.3	-178.1	-179.3	-150.8	-9.1	111.9	N431 I432 E436 C490	N431-R488 PolarHBondContact O-NH1 3.26Å; I432-R488 HydrophobicContact CG1-CB 4.28Å; E436-R488 IonicContact OE1-CZ 2.8Å; E436-R488 IonicContact OE1-NE 3.31Å; E436-R488 PolarHBondContact OE1-NE 2.87Å; E436-R488 IonicContact OE1-NH2 3.14Å; E436-R488 PolarHBondContact OE1-NH2 2.8Å; E436-R488 IonicContact OE2-CZ 2.72Å; E436-R488 IonicContact OE2-NE 3.04Å; E436-R488 PolarHBondContact OE2-NE 2.93Å; E436-R488 IonicContact OE2-NH2 2.75Å; E436-R488 PolarHBondContact OE2-NH2 3.02Å; R488-C490 PolarHBondContact O-N 2.93Å
489	E	85.8	Confident	91.6	Very high	184 Å²	184	76.3 Å²	76.3	86%	0.86	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	-12.9	-177.5	-56	169.6	-177.7	0	0	116.6	L487	L487-E489 PolarHBondContact O-N 3.01Å
490	C	88.7	Confident	91.4	Very high	18 Å²	18	78.7 Å²	78.7	12%	0.122	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	130.3	175.4	-162.8	0	0	0	0	112.1	A429 I432 R486 L487 R488	A429-C490 HydrophobicContact CB-CB 4.17Å; I432-C490 HydrophobicContact CD1-CB 3.56Å; R486-C490 CarbonylContact C-O 3.33Å; R486-C490 WeakPolarHBondContact CA-O 3.11Å; L487-C490 PolarHBondContact N-O 3.45Å; L487-C490 WeakPolarHBondContact O-CB 3.36Å; L487-C490 PolarHBondContact O-N 2.99Å; R488-C490 PolarHBondContact O-N 2.93Å
491	E	90.6	Very high	91	Very high	73 Å²	73	73.3 Å²	73.3	34%	0.341	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	114	175.6	-169.9	174.3	126.8	0	0	111.7	R486 S493	R486-E491 HydrophobicContact CG-CB 4.04Å; R486-E491 HydrophobicContact CG-CG 4.27Å; R486-E491 IonicContact CZ-OE2 3.23Å; R486-E491 VanDerWaalsContact CZ-OE2 3.31Å; R486-E491 IonicContact NE-OE2 3.82Å; R486-E491 PolarHBondContact NE-OE2 3.44Å; R486-E491 IonicContact NH2-OE2 3.84Å; R486-E491 PolarHBondContact NH2-OE2 2.76Å; E491-S493 VanDerWaalsContact C-N 3.3Å; E491-S493 PolarHBondContact O-N 2.7Å; E491-S493 PolarHBondContact O-OG 2.83Å
492	L	87.6	Confident	90.7	Very high	0 Å²	0	75.4 Å²	75.4	0%	0	36%	0.36	C	S	.	.			trans	-65.9	-32.4	-172	-61	177.3	0	0	0	113.4	M425 L440 I485 L487	M425-L492 HydrophobicContact CE-CB 4.28Å; M425-L492 HydrophobicContact CE-CD1 4.02Å; M425-L492 HydrophobicContact CG-CB 4.46Å; M425-L492 HydrophobicContact SD-CB 4.15Å; M425-L492 HydrophobicContact SD-CD1 4.34Å; M425-L492 HydrophobicContact SD-CD2 4.14Å; M425-L492 HydrophobicContact SD-CG 4.45Å; L440-L492 HydrophobicContact CD2-CD1 3.55Å; I485-L492 PolarHBondContact O-N 3.31Å; L487-L492 HydrophobicContact CD1-CD1 4.02Å; L487-L492 HydrophobicContact CD1-CD2 4.28Å; L487-L492 HydrophobicContact CG-CD1 4.41Å
493	S	91	Very high	90.7	Very high	35 Å²	35	77 Å²	77	25%	0.245	37%	0.367	C	S	.	.			trans	38.3	54.5	178.3	54.7	0	0	0	0	114.4	E491	E491-S493 VanDerWaalsContact C-N 3.3Å; E491-S493 PolarHBondContact O-N 2.7Å; E491-S493 PolarHBondContact O-OG 2.83Å
494	P	95.2	Very high	90.9	Very high	3 Å²	3	74.8 Å²	74.8	2%	0.019	36%	0.357	C	S	.	.			trans	-61.9	145.6	-176.4	27.3	-36.4	0	0	0	112.2	L423 F424 M425 C479 L482 Q483	L423-P494 HydrophobicContact CB-CB 4.31Å; L423-P494 HydrophobicContact CD1-CB 4.23Å; F424-P494 WeakPolarHBondContact O-CA 3.16Å; M425-P494 HydrophobicContact CE-CB 4.34Å; M425-P494 HydrophobicContact CG-CB 4.09Å; C479-P494 PolarHBondContact SG-O 2.82Å; L482-P494 HydrophobicContact CB-CG 3.73Å; Q483-P494 PolarHBondContact OE1-O 2.98Å
495	G	96.3	Very high	91.2	Very high	30 Å²	30	72.4 Å²	72.4	31%	0.309	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	150.2	164.5	0	0	0	0	0	110.9	L423 F424 N497	L423-G495 CarbonylContact C-O 3.53Å; L423-G495 WeakPolarHBondContact CA-O 3.04Å; F424-G495 PolarHBondContact N-O 2.76Å; F424-G495 PolarHBondContact O-N 3.43Å; G495-N497 PolarHBondContact O-N 3.04Å
496	V	96.9	Very high	91.4	Very high	62 Å²	62	73.4 Å²	73.4	38%	0.376	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	121.5	172.3	-179.7	0	0	0	0	109.4	L423 I475 K476 C479	L423-V496 HydrophobicContact CD2-CG2 4.31Å; I475-V496 HydrophobicContact CG1-CG1 4.39Å; I475-V496 HydrophobicContact CG2-CG1 3.8Å; I475-V496 HydrophobicContact CG2-CG2 4.37Å; K476-V496 HydrophobicContact CG-CG2 4.32Å; C479-V496 HydrophobicContact CB-CG2 3.74Å
497	N	95.3	Very high	91.6	Very high	46 Å²	46	67.2 Å²	67.2	25%	0.246	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-75.3	146.9	175.5	-173.1	32.3	0	0	0	109.9	S422 F424 G495	S422-N497 VanDerWaalsContact O-CB 3.31Å; S422-N497 WeakPolarHBondContact O-CB 3.18Å; S422-N497 PolarHBondContact O-N 3.34Å; S422-N497 WeakPolarHBondContact OG-CB 3.15Å; S422-N497 PolarHBondContact OG-ND2 2.86Å; F424-N497 HydrophobicContact CB-CB 4.16Å; G495-N497 PolarHBondContact O-N 3.04Å
498	R	93.8	Very high	91.8	Very high	207 Å²	207	69.2 Å²	69.2	78%	0.781	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-101.4	142.2	-178.5	-65.6	-178.4	67.9	168	2.4	110.7
499	D	90.5	Very high	92.3	Very high	76 Å²	76	62.8 Å²	62.8	41%	0.406	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-60	150.1	175.6	-55.9	-28.6	0	0	0	111.7	R471 T501	R471-D499 IonicContact CZ-OD2 3.69Å; R471-D499 VanDerWaalsContact CZ-OD2 3.28Å; R471-D499 VanDerWaalsContact NH1-CG 3.3Å; R471-D499 IonicContact NH1-OD1 2.9Å; R471-D499 PolarHBondContact NH1-OD1 3.47Å; R471-D499 IonicContact NH1-OD2 2.7Å; R471-D499 PolarHBondContact NH1-OD2 2.94Å; R471-D499 IonicContact NH2-OD2 3.66Å; R471-D499 PolarHBondContact NH2-OD2 3.43Å; D499-T501 PolarHBondContact O-N 3.04Å; D499-T501 VanDerWaalsContact O-N 3.16Å
500	L	90.3	Very high	92.6	Very high	64 Å²	64	55 Å²	55	34%	0.335	27%	0.274	S	S	.	.			trans	-72.9	105.9	-176.9	-69.5	173.1	0	0	0	111.4	R503 N638 I642	L500-R503 HydrophobicContact CB-CG 3.78Å; L500-R503 HydrophobicContact CD1-CG 4.44Å; L500-N638 HydrophobicContact CD1-CB 4.13Å; L500-I642 HydrophobicContact CD1-CG1 4.32Å; L500-I642 HydrophobicContact CD2-CD1 4.32Å
501	T	86.3	Confident	92.8	Very high	85 Å²	85	54.1 Å²	54.1	52%	0.521	27%	0.269	S	S	.	.	S	Bend	trans	-73.6	-36.2	-179	53.6	0	0	0	0	113.9	S51 D499	S51-T501 WeakPolarHBondContact CB-O 3.46Å; S51-T501 PolarHBondContact OG-O 3.19Å; D499-T501 PolarHBondContact O-N 3.04Å; D499-T501 VanDerWaalsContact O-N 3.16Å
502	R	88.7	Confident	92.9	Very high	132 Å²	132	51.1 Å²	51.1	50%	0.498	26%	0.255	S	S	.	.			trans	-123	80.6	-179.2	-166.3	176.9	-175.9	-153.9	-2.9	110.6	V504 R505 N506	R502-V504 WeakPolarHBondContact CG-O 3.36Å; R502-R505 HydrophobicContact CG-CG 4.17Å; R502-R505 PolarHBondContact O-NE 3.45Å; R502-R505 VanDerWaalsContact O-NE 3.14Å; R502-N506 PolarHBondContact NH2-OD1 2.81Å
503	R	92.8	Very high	93.2	Very high	34 Å²	34	51.4 Å²	51.4	13%	0.128	26%	0.256	C	S	.	.			trans	-73	-48.6	177.7	-71	179.3	68.3	-173.1	3.1	112.4	V247 D251 L500 C640 G641 I642 I643	V247-R503 HydrophobicContact CG2-CB 4.44Å; D251-R503 VanDerWaalsContact CG-NH1 3.35Å; D251-R503 IonicContact OD1-CZ 3.83Å; D251-R503 VanDerWaalsContact OD1-CZ 3.24Å; D251-R503 IonicContact OD1-NH1 3.74Å; D251-R503 PolarHBondContact OD1-NH1 2.86Å; D251-R503 IonicContact OD1-NH2 3.59Å; D251-R503 PolarHBondContact OD1-NH2 2.78Å; D251-R503 IonicContact OD2-NH1 3.85Å; D251-R503 PolarHBondContact OD2-NH1 3.07Å; L500-R503 HydrophobicContact CB-CG 3.78Å; L500-R503 HydrophobicContact CD1-CG 4.44Å; R503-C640 PolarHBondContact NH2-O 3.38Å; R503-G641 WeakPolarHBondContact CB-O 3.38Å; R503-G641 VanDerWaalsContact CG-O 3.29Å; R503-G641 WeakPolarHBondContact CG-O 3.35Å; R503-G641 PolarHBondContact NE-O 2.92Å; R503-I642 WeakPolarHBondContact O-CA 3.42Å; R503-I643 PolarHBondContact O-N 3.36Å
504	V	95.7	Very high	93.2	Very high	12 Å²	12	51.8 Å²	51.8	7%	0.073	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.8	174.5	-179	0	0	0	0	109.9	I240 A243 I246 V247 R502 I643 V645	I240-V504 HydrophobicContact CD1-CG1 3.99Å; A243-V504 HydrophobicContact CB-CB 3.88Å; A243-V504 HydrophobicContact CB-CG1 3.72Å; A243-V504 HydrophobicContact CB-CG2 4.09Å; I246-V504 HydrophobicContact CB-CG2 4.28Å; I246-V504 HydrophobicContact CG2-CG2 4.11Å; V247-V504 HydrophobicContact CG2-CG2 3.65Å; R502-V504 WeakPolarHBondContact CG-O 3.36Å; V504-I643 WeakPolarHBondContact CA-O 3.48Å; V504-I643 HydrophobicContact CG2-CG2 3.96Å; V504-V645 HydrophobicContact CG1-CB 4.26Å; V504-V645 HydrophobicContact CG1-CG1 3.78Å; V504-V645 HydrophobicContact CG1-CG2 3.41Å; V504-V645 VanDerWaalsContact CG1-CG2 3.41Å
505	R	95.8	Very high	93	Very high	82 Å²	82	54.8 Å²	54.8	31%	0.309	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.4	-178.3	-65.6	174.8	-172.6	176.1	2.1	110.1	R502 I643 H644 V645	R502-R505 HydrophobicContact CG-CG 4.17Å; R502-R505 PolarHBondContact O-NE 3.45Å; R502-R505 VanDerWaalsContact O-NE 3.14Å; R505-I643 PolarHBondContact N-O 3.35Å; R505-I643 VanDerWaalsContact N-O 3.08Å; R505-H644 VanDerWaalsContact CD-NE2 3.34Å; R505-H644 WeakPolarHBondContact CD-NE2 3.42Å; R505-H644 CarbonylContact O-C 3.52Å; R505-H644 VanDerWaalsContact O-CA 3.23Å; R505-H644 WeakPolarHBondContact O-CA 3.46Å; R505-V645 WeakPolarHBondContact O-CG2 3.34Å; R505-V645 PolarHBondContact O-N 2.83Å
506	N	95.4	Very high	92.9	Very high	65 Å²	65	53.4 Å²	53.4	35%	0.348	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	144.7	177.3	55.6	-29.2	0	0	0	111.9	I240 R502 V645	I240-N506 HydrophobicContact CB-CB 4.21Å; I240-N506 HydrophobicContact CD1-CB 4.06Å; I240-N506 HydrophobicContact CG1-CB 4.06Å; R502-N506 PolarHBondContact NH2-OD1 2.81Å; N506-V645 WeakPolarHBondContact CA-O 3.27Å
507	I	95.3	Very high	92.8	Very high	33 Å²	33	50.5 Å²	50.5	17%	0.169	24%	0.235	C	C	.	.			trans	-105.1	-164.2	164.4	58.8	146.5	0	0	0	110.5	T511 Y625 H644 V645 G647 W662	I507-T511 HydrophobicContact CD1-CG2 3.47Å; I507-T511 VanDerWaalsContact CD1-CG2 3.47Å; I507-Y625 HydrophobicContact CD1-CD1 3.44Å; I507-Y625 VanDerWaalsContact CD1-CD1 3.44Å; I507-Y625 HydrophobicContact CD1-CE1 4.19Å; I507-Y625 HydrophobicContact CD1-CG 3.68Å; I507-Y625 HydrophobicContact CG1-CD1 4.44Å; I507-Y625 HydrophobicContact CG1-CG 4.25Å; I507-H644 HydrophobicContact CG2-CB 4.15Å; I507-V645 WeakPolarHBondContact CG1-O 3.25Å; I507-V645 PolarHBondContact N-O 3.02Å; I507-G647 VanDerWaalsContact O-CA 3.27Å; I507-G647 WeakPolarHBondContact O-CA 3.47Å; I507-W662 HydrophobicContact CD1-CH2 4.33Å; I507-W662 HydrophobicContact CD1-CZ2 4.11Å
508	N	93.7	Very high	92.8	Very high	74 Å²	74	50.1 Å²	50.1	40%	0.396	23%	0.23	S	C	.	.			trans	-65	133.4	178.3	-167.1	-6.1	0	0	0	111.4	I510 T511 W662	N508-I510 VanDerWaalsContact ND2-CD1 3.31Å; N508-I510 WeakPolarHBondContact ND2-CD1 3.28Å; N508-I510 PolarHBondContact O-N 3.34Å; N508-I510 PolarHBondContact OD1-N 2.94Å; N508-T511 PolarHBondContact O-N 3.39Å; N508-T511 PolarHBondContact O-OG1 3.24Å; N508-W662 HydrophobicContact CB-CH2 4.04Å; N508-W662 HydrophobicContact CB-CZ3 3.83Å
509	G	91.7	Very high	92.8	Very high	4 Å²	4	41.6 Å²	41.6	4%	0.041	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-66.8	-15.5	-178.3	0	0	0	0	0	115.1	T511 Q512 P648	G509-T511 PolarHBondContact O-N 2.85Å; G509-T511 VanDerWaalsContact O-N 3.1Å; G509-Q512 WeakPolarHBondContact O-CG 3.35Å; G509-Q512 PolarHBondContact O-N 3.41Å; G509-Q512 PolarHBondContact O-NE2 3.49Å; G509-P648 WeakPolarHBondContact CA-O 3.2Å
510	I	92.4	Very high	93.1	Very high	19 Å²	19	38 Å²	38	10%	0.097	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-55.9	-26.2	174.6	-57.9	176	0	0	0	111.5	N508 Q512 H513 I516 P650 I654	N508-I510 VanDerWaalsContact ND2-CD1 3.31Å; N508-I510 WeakPolarHBondContact ND2-CD1 3.28Å; N508-I510 PolarHBondContact O-N 3.34Å; N508-I510 PolarHBondContact OD1-N 2.94Å; I510-Q512 PolarHBondContact O-N 3.46Å; I510-Q512 VanDerWaalsContact O-N 3.08Å; I510-H513 WeakPolarHBondContact O-CB 3.18Å; I510-H513 PolarHBondContact O-N 3.09Å; I510-I516 HydrophobicContact CB-CD1 4.5Å; I510-I516 HydrophobicContact CG2-CD1 3.32Å; I510-I516 WeakPolarHBondContact O-CD1 3.36Å; I510-P650 HydrophobicContact CG1-CG 4.03Å; I510-I654 HydrophobicContact CB-CD1 4.06Å; I510-I654 HydrophobicContact CD1-CG2 4.26Å; I510-I654 HydrophobicContact CG1-CD1 3.79Å; I510-I654 HydrophobicContact CG1-CG1 4.21Å; I510-I654 HydrophobicContact CG1-CG2 4.45Å; I510-I654 HydrophobicContact CG2-CD1 3.86Å; I510-I654 HydrophobicContact CG2-CG2 4.22Å
511	T	94	Very high	93.4	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-64	-8.9	178.7	49.6	0	0	0	0	116.8	I507 N508 G509 I516 Y625 W662	I507-T511 HydrophobicContact CD1-CG2 3.47Å; I507-T511 VanDerWaalsContact CD1-CG2 3.47Å; N508-T511 PolarHBondContact O-N 3.39Å; N508-T511 PolarHBondContact O-OG1 3.24Å; G509-T511 PolarHBondContact O-N 2.85Å; G509-T511 VanDerWaalsContact O-N 3.1Å; T511-I516 HydrophobicContact CG2-CG2 4.44Å; T511-Y625 HydrophobicContact CG2-CD1 4.44Å; T511-Y625 HydrophobicContact CG2-CE1 4.19Å; T511-W662 HydrophobicContact CG2-CH2 4.27Å; T511-W662 HydrophobicContact CG2-CZ2 3.33Å
512	Q	92.3	Very high	93.8	Very high	11 Å²	11	36.8 Å²	36.8	5%	0.051	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-89.6	-3.1	170.8	78.2	-156	-83.1	0	0	113.8	G509 I510 V599 G647	G509-Q512 WeakPolarHBondContact O-CG 3.35Å; G509-Q512 PolarHBondContact O-N 3.41Å; G509-Q512 PolarHBondContact O-NE2 3.49Å; I510-Q512 PolarHBondContact O-N 3.46Å; I510-Q512 VanDerWaalsContact O-N 3.08Å; Q512-V599 HydrophobicContact CG-CG1 3.85Å; Q512-G647 PolarHBondContact NE2-O 3.24Å; Q512-G647 VanDerWaalsContact NE2-O 3.13Å
513	H	93.4	Very high	94.1	Very high	6 Å²	6	30.9 Å²	30.9	3%	0.028	14%	0.144	C	C	.	.	S	Bend	trans	-68.7	131	178.3	-177.7	-128.2	0	0	0	111.6	I510 Q515 I516 V517 V599 E600	I510-H513 WeakPolarHBondContact O-CB 3.18Å; I510-H513 PolarHBondContact O-N 3.09Å; H513-Q515 VanDerWaalsContact C-N 3.32Å; H513-Q515 PolarHBondContact CE1-OE1 2.82Å; H513-Q515 PolarHBondContact O-N 2.97Å; H513-Q515 VanDerWaalsContact O-N 3.12Å; H513-I516 HydrophobicContact CB-CD1 4.38Å; H513-I516 WeakPolarHBondContact O-CA 3.03Å; H513-I516 PolarHBondContact O-N 2.74Å; H513-V517 PolarHBondContact O-N 3.11Å; H513-V599 HydrophobicContact CB-CG1 4.03Å; H513-E600 WeakPolarHBondContact CA-O 3.15Å
514	K	91.6	Very high	94.2	Very high	42 Å²	42	29.3 Å²	29.3	18%	0.183	14%	0.138	C	C	.	.	H	α-helix	trans	-41.8	-48.1	-178.1	-170.2	174.9	-178.1	-178.5	0	115.1	I516 V517 R518 E600 D602 L605	K514-I516 VanDerWaalsContact C-N 3.35Å; K514-I516 PolarHBondContact O-N 3.18Å; K514-V517 PolarHBondContact O-N 3.19Å; K514-R518 WeakPolarHBondContact O-CG 3.34Å; K514-R518 PolarHBondContact O-N 3.41Å; K514-E600 HydrophobicContact CB-CB 4.43Å; K514-E600 HydrophobicContact CD-CG 4.27Å; K514-E600 WeakPolarHBondContact CD-OE1 3.47Å; K514-E600 WeakPolarHBondContact CD-OE2 3.15Å; K514-E600 PolarHBondContact N-O 2.94Å; K514-E600 VanDerWaalsContact NZ-CD 3.28Å; K514-E600 IonicContact NZ-OE1 2.65Å; K514-E600 PolarHBondContact NZ-OE1 2.96Å; K514-E600 IonicContact NZ-OE2 3.23Å; K514-E600 PolarHBondContact NZ-OE2 3.31Å; K514-E600 VanDerWaalsContact NZ-OE2 3.16Å; K514-D602 HydrophobicContact CG-CB 4.36Å; K514-L605 HydrophobicContact CG-CD1 4.25Å
515	Q	91.2	Very high	94.2	Very high	67 Å²	67	29 Å²	29	31%	0.313	14%	0.137	S	C	.	.	H	α-helix	trans	-65.4	-34.9	179	-68.1	178.8	-20.7	0	0	113.1	H513 N519 V659 Q663	H513-Q515 VanDerWaalsContact C-N 3.32Å; H513-Q515 PolarHBondContact CE1-OE1 2.82Å; H513-Q515 PolarHBondContact O-N 2.97Å; H513-Q515 VanDerWaalsContact O-N 3.12Å; Q515-N519 PolarHBondContact O-N 2.97Å; Q515-V659 HydrophobicContact CB-CG1 4.3Å; Q515-Q663 PolarHBondContact O-NE2 3.3Å
516	I	94.3	Very high	94.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-76.6	-40.8	177.4	-67.7	166.5	0	0	0	110.2	I510 T511 H513 K514 R518 N519 D520 V659 W662 Q663	I510-I516 HydrophobicContact CB-CD1 4.5Å; I510-I516 HydrophobicContact CG2-CD1 3.32Å; I510-I516 WeakPolarHBondContact O-CD1 3.36Å; T511-I516 HydrophobicContact CG2-CG2 4.44Å; H513-I516 HydrophobicContact CB-CD1 4.38Å; H513-I516 WeakPolarHBondContact O-CA 3.03Å; H513-I516 PolarHBondContact O-N 2.74Å; K514-I516 VanDerWaalsContact C-N 3.35Å; K514-I516 PolarHBondContact O-N 3.18Å; I516-R518 VanDerWaalsContact C-N 3.33Å; I516-R518 PolarHBondContact O-N 2.89Å; I516-N519 CarbonylContact O-C 3.6Å; I516-N519 PolarHBondContact O-N 3.35Å; I516-N519 VanDerWaalsContact O-N 3.16Å; I516-D520 WeakPolarHBondContact O-CB 3.43Å; I516-D520 PolarHBondContact O-N 3.42Å; I516-V659 HydrophobicContact CD1-CG1 4.07Å; I516-V659 HydrophobicContact CD1-CG2 4.5Å; I516-V659 HydrophobicContact CG1-CG1 3.92Å; I516-W662 HydrophobicContact CD1-CB 4.44Å; I516-W662 HydrophobicContact CD1-CG 4.24Å; I516-Q663 HydrophobicContact CG1-CG 4.18Å
517	V	95.1	Very high	94	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-57.9	-44.4	174.6	176	0	0	0	0	111	H513 K514 D520 I521 L605 I606 L609	H513-V517 PolarHBondContact O-N 3.11Å; K514-V517 PolarHBondContact O-N 3.19Å; V517-D520 PolarHBondContact O-N 3.2Å; V517-I521 HydrophobicContact CG1-CD1 4.24Å; V517-I521 VanDerWaalsContact O-CG1 3.3Å; V517-I521 WeakPolarHBondContact O-CG1 3.44Å; V517-I521 PolarHBondContact O-N 3.31Å; V517-L605 HydrophobicContact CG1-CB 3.77Å; V517-I606 HydrophobicContact CG1-CG1 4.04Å; V517-I606 HydrophobicContact CG2-CG1 4.02Å; V517-L609 HydrophobicContact CB-CD2 4.45Å; V517-L609 HydrophobicContact CG1-CB 4.33Å; V517-L609 HydrophobicContact CG1-CD2 3.93Å
518	R	94.1	Very high	93.9	Very high	39 Å²	39	25.7 Å²	25.7	15%	0.147	12%	0.121	C	C	.	.	H	α-helix	trans	-59.3	-46.7	173.7	-74.2	-179.4	171.7	146.6	-2.7	112.4	K514 I516 D520 I521 K522 L565 E567 L605	K514-R518 WeakPolarHBondContact O-CG 3.34Å; K514-R518 PolarHBondContact O-N 3.41Å; I516-R518 VanDerWaalsContact C-N 3.33Å; I516-R518 PolarHBondContact O-N 2.89Å; R518-D520 VanDerWaalsContact C-N 3.34Å; R518-D520 PolarHBondContact O-N 3.46Å; R518-I521 PolarHBondContact O-N 3.14Å; R518-K522 PolarHBondContact O-N 2.77Å; R518-L565 VanDerWaalsContact O-CD2 3.31Å; R518-L565 WeakPolarHBondContact O-CD2 3.28Å; R518-E567 IonicContact CZ-OE1 3.69Å; R518-E567 IonicContact NE-OE1 3.65Å; R518-E567 IonicContact NH1-OE1 2.71Å; R518-E567 PolarHBondContact NH1-OE1 3.27Å; R518-L605 HydrophobicContact CG-CD1 3.77Å
519	N	94.9	Very high	93.8	Very high	27 Å²	27	26.4 Å²	26.4	14%	0.144	12%	0.121	C	C	.	.	H	α-helix	trans	-63.3	-40	176.8	-175.3	69.9	0	0	0	112.2	Q515 I516 K522 L523 Q663	Q515-N519 PolarHBondContact O-N 2.97Å; I516-N519 CarbonylContact O-C 3.6Å; I516-N519 PolarHBondContact O-N 3.35Å; I516-N519 VanDerWaalsContact O-N 3.16Å; N519-K522 WeakPolarHBondContact O-CB 3.29Å; N519-K522 PolarHBondContact O-N 2.73Å; N519-L523 VanDerWaalsContact ND2-CD1 3.35Å; N519-L523 WeakPolarHBondContact ND2-CD1 3.48Å; N519-L523 WeakPolarHBondContact O-CG 3.01Å; N519-L523 PolarHBondContact O-N 3.34Å; N519-Q663 HydrophobicContact CB-CG 4.3Å
520	D	96.1	Very high	93.8	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-67.1	-36	178.5	-78.6	-18.4	0	0	0	112	I516 V517 R518 K522 L523 A524 L609 Y624	I516-D520 WeakPolarHBondContact O-CB 3.43Å; I516-D520 PolarHBondContact O-N 3.42Å; V517-D520 PolarHBondContact O-N 3.2Å; R518-D520 VanDerWaalsContact C-N 3.34Å; R518-D520 PolarHBondContact O-N 3.46Å; D520-K522 VanDerWaalsContact C-N 3.34Å; D520-K522 PolarHBondContact O-N 2.7Å; D520-L523 PolarHBondContact O-N 2.91Å; D520-A524 WeakPolarHBondContact O-CB 3.15Å; D520-A524 PolarHBondContact O-N 2.84Å; D520-L609 HydrophobicContact CB-CD1 3.91Å; D520-L609 HydrophobicContact CB-CD2 3.75Å; D520-Y624 VanDerWaalsContact CA-OH 3.28Å; D520-Y624 WeakPolarHBondContact CA-OH 3.42Å; D520-Y624 HydrophobicContact CB-CE1 4.03Å; D520-Y624 WeakPolarHBondContact CB-OH 3.37Å; D520-Y624 VanDerWaalsContact CG-OH 3.25Å; D520-Y624 PolarHBondContact OD1-OH 3.38Å
521	I	96.1	Very high	93.7	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.2	-45.6	172.3	-68.1	164.4	0	0	0	110.3	V517 R518 A525 I561 L565 L605 V608 L609 L612	V517-I521 HydrophobicContact CG1-CD1 4.24Å; V517-I521 VanDerWaalsContact O-CG1 3.3Å; V517-I521 WeakPolarHBondContact O-CG1 3.44Å; V517-I521 PolarHBondContact O-N 3.31Å; R518-I521 PolarHBondContact O-N 3.14Å; I521-A525 VanDerWaalsContact O-CB 3.26Å; I521-A525 WeakPolarHBondContact O-CB 3.37Å; I521-A525 PolarHBondContact O-N 3.23Å; I521-I561 HydrophobicContact CG2-CD1 3.86Å; I521-I561 HydrophobicContact CG2-CG1 3.82Å; I521-L565 HydrophobicContact CB-CD2 3.93Å; I521-L565 HydrophobicContact CG2-CD2 3.75Å; I521-L565 HydrophobicContact CG2-CG 4.35Å; I521-L605 HydrophobicContact CD1-CB 4.19Å; I521-L605 HydrophobicContact CD1-CD2 4.14Å; I521-V608 HydrophobicContact CD1-CG1 4.36Å; I521-L609 HydrophobicContact CD1-CB 4.37Å; I521-L609 HydrophobicContact CG1-CB 3.76Å; I521-L609 HydrophobicContact CG1-CD1 4.03Å; I521-L609 HydrophobicContact CG1-CG 4.38Å; I521-L612 HydrophobicContact CG2-CD1 4.05Å
522	K	95	Very high	93.6	Very high	124 Å²	124	28.6 Å²	28.6	54%	0.539	13%	0.134	S	C	.	.	H	α-helix	trans	-61.1	-45.7	177.5	176.7	-171.1	174.2	-168.6	0	111.8	R518 N519 D520 K526 L565	R518-K522 PolarHBondContact O-N 2.77Å; N519-K522 WeakPolarHBondContact O-CB 3.29Å; N519-K522 PolarHBondContact O-N 2.73Å; D520-K522 VanDerWaalsContact C-N 3.34Å; D520-K522 PolarHBondContact O-N 2.7Å; K522-K526 WeakPolarHBondContact O-CB 3.36Å; K522-K526 PolarHBondContact O-N 3.49Å; K522-K526 VanDerWaalsContact O-N 3.09Å; K522-L565 HydrophobicContact CB-CD1 4.19Å; K522-L565 HydrophobicContact CB-CD2 3.97Å
523	L	94.9	Very high	93.3	Very high	8 Å²	8	32.6 Å²	32.6	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-70	-42	179.8	-68.2	176.3	0	0	0	112.1	N519 D520 K526 L527 Y624 E667 L670	N519-L523 VanDerWaalsContact ND2-CD1 3.35Å; N519-L523 WeakPolarHBondContact ND2-CD1 3.48Å; N519-L523 WeakPolarHBondContact O-CG 3.01Å; N519-L523 PolarHBondContact O-N 3.34Å; D520-L523 PolarHBondContact O-N 2.91Å; L523-K526 PolarHBondContact O-N 2.65Å; L523-L527 WeakPolarHBondContact O-CG 3.38Å; L523-L527 PolarHBondContact O-N 2.94Å; L523-Y624 HydrophobicContact CB-CE2 4.48Å; L523-E667 HydrophobicContact CD1-CB 4.33Å; L523-E667 HydrophobicContact CD2-CG 4.12Å; L523-L670 HydrophobicContact CB-CD1 4.14Å; L523-L670 HydrophobicContact CD1-CD1 4.09Å
524	A	96.3	Very high	93	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.4	-43.8	175.1	0	0	0	0	0	112	D520 K526 L527 I528 L609 L612 L613 L616 Y624	D520-A524 WeakPolarHBondContact O-CB 3.15Å; D520-A524 PolarHBondContact O-N 2.84Å; A524-K526 PolarHBondContact O-N 2.87Å; A524-L527 WeakPolarHBondContact O-CB 3.26Å; A524-L527 PolarHBondContact O-N 2.85Å; A524-I528 VanDerWaalsContact O-CG1 3.25Å; A524-I528 WeakPolarHBondContact O-CG1 3.27Å; A524-I528 PolarHBondContact O-N 2.94Å; A524-L609 HydrophobicContact CB-CD1 4.29Å; A524-L612 HydrophobicContact CB-CB 3.99Å; A524-L612 HydrophobicContact CB-CD1 3.97Å; A524-L613 HydrophobicContact CB-CD2 3.9Å; A524-L616 HydrophobicContact CB-CD1 4.04Å; A524-Y624 HydrophobicContact CB-CE2 4.17Å
525	A	94.8	Very high	92.8	Very high	7 Å²	7	37.6 Å²	37.6	6%	0.058	18%	0.177	C	C	.	.	H	α-helix	trans	-60.5	-44.6	174.6	0	0	0	0	0	111.8	I521 L527 I528 H529 L558 I561 L612	I521-A525 VanDerWaalsContact O-CB 3.26Å; I521-A525 WeakPolarHBondContact O-CB 3.37Å; I521-A525 PolarHBondContact O-N 3.23Å; A525-L527 PolarHBondContact O-N 2.97Å; A525-I528 PolarHBondContact O-N 3.43Å; A525-H529 PolarHBondContact O-CD2 3.24Å; A525-H529 PolarHBondContact O-N 2.9Å; A525-L558 HydrophobicContact CB-CD2 4Å; A525-I561 HydrophobicContact CB-CG1 4.46Å; A525-I561 HydrophobicContact CB-CG2 4.49Å; A525-L612 HydrophobicContact CB-CD1 4.49Å
526	K	93	Very high	92.5	Very high	108 Å²	108	39.7 Å²	39.7	47%	0.47	19%	0.187	S	C	.	.	H	α-helix	trans	-61.1	-40.8	175.4	-175.4	-179.2	177.2	-173.7	0	112.4	K522 L523 A524 T530	K522-K526 WeakPolarHBondContact O-CB 3.36Å; K522-K526 PolarHBondContact O-N 3.49Å; K522-K526 VanDerWaalsContact O-N 3.09Å; L523-K526 PolarHBondContact O-N 2.65Å; A524-K526 PolarHBondContact O-N 2.87Å; K526-T530 WeakPolarHBondContact O-CB 3.31Å; K526-T530 PolarHBondContact O-N 3.44Å; K526-T530 PolarHBondContact O-OG1 3.35Å
527	L	93.5	Very high	92	Very high	2 Å²	2	40 Å²	40	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-48.4	172.7	-78.9	159	0	0	0	111.3	L523 A524 A525 T530 L531 L616 L622 Y624 L670 L674	L523-L527 WeakPolarHBondContact O-CG 3.38Å; L523-L527 PolarHBondContact O-N 2.94Å; A524-L527 WeakPolarHBondContact O-CB 3.26Å; A524-L527 PolarHBondContact O-N 2.85Å; A525-L527 PolarHBondContact O-N 2.97Å; L527-T530 PolarHBondContact O-N 2.93Å; L527-L531 WeakPolarHBondContact O-CB 3.44Å; L527-L531 WeakPolarHBondContact O-CG 3.37Å; L527-L531 PolarHBondContact O-N 2.94Å; L527-L616 HydrophobicContact CB-CD1 4.27Å; L527-L616 HydrophobicContact CB-CD2 4.08Å; L527-L616 HydrophobicContact CD1-CD1 4.36Å; L527-L622 HydrophobicContact CD1-CD2 4.14Å; L527-L622 HydrophobicContact CD2-CD2 4.1Å; L527-Y624 HydrophobicContact CD1-CD2 3.85Å; L527-Y624 HydrophobicContact CD1-CE2 3.81Å; L527-L670 HydrophobicContact CD1-CD1 4.1Å; L527-L670 HydrophobicContact CD1-CD2 4.1Å; L527-L674 HydrophobicContact CD2-CD2 3.6Å; L527-L674 HydrophobicContact CD2-CG 3.85Å; L527-L674 HydrophobicContact CG-CD2 4.2Å
528	I	94.1	Very high	91.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.4	-49.3	-179	-65.6	163.1	0	0	0	110.7	A524 A525 T530 L531 D532 N555 I557 L558 L612 Y615 L616	A524-I528 VanDerWaalsContact O-CG1 3.25Å; A524-I528 WeakPolarHBondContact O-CG1 3.27Å; A524-I528 PolarHBondContact O-N 2.94Å; A525-I528 PolarHBondContact O-N 3.43Å; I528-T530 PolarHBondContact O-N 2.92Å; I528-L531 PolarHBondContact O-N 3.25Å; I528-D532 VanDerWaalsContact O-CB 3.28Å; I528-D532 WeakPolarHBondContact O-CB 3.24Å; I528-D532 VanDerWaalsContact O-CG 3.31Å; I528-D532 PolarHBondContact O-N 2.75Å; I528-N555 WeakPolarHBondContact CG2-ND2 3.18Å; I528-I557 HydrophobicContact CD1-CD1 4.04Å; I528-L558 HydrophobicContact CB-CD1 4.26Å; I528-L558 HydrophobicContact CB-CD2 4.31Å; I528-L558 HydrophobicContact CD1-CD2 4.19Å; I528-L558 HydrophobicContact CG2-CD1 3.69Å; I528-L558 HydrophobicContact CG2-CD2 4.27Å; I528-L558 HydrophobicContact CG2-CG 4.17Å; I528-L612 HydrophobicContact CD1-CB 3.78Å; I528-L612 HydrophobicContact CD1-CD2 3.71Å; I528-L612 HydrophobicContact CD1-CG 4.23Å; I528-Y615 HydrophobicContact CD1-CD1 4.15Å; I528-Y615 HydrophobicContact CG1-CD1 3.93Å; I528-Y615 HydrophobicContact CG1-CE1 4.38Å; I528-Y615 HydrophobicContact CG2-CD1 4.01Å; I528-Y615 HydrophobicContact CG2-CE1 3.71Å; I528-L616 HydrophobicContact CD1-CG 4.17Å; I528-L616 HydrophobicContact CG1-CD1 4.21Å; I528-L616 HydrophobicContact CG1-CD2 3.55Å; I528-L616 HydrophobicContact CG1-CG 3.68Å
529	H	91.1	Very high	90.6	Very high	89 Å²	89	41.8 Å²	41.8	41%	0.412	20%	0.203	S	C	.	.	H	α-helix	trans	-53.2	-52.7	174.3	-79.8	-69	0	0	0	111.6	A525 L531 D532 D533	A525-H529 PolarHBondContact O-CD2 3.24Å; A525-H529 PolarHBondContact O-N 2.9Å; H529-L531 VanDerWaalsContact C-N 3.3Å; H529-L531 PolarHBondContact O-N 2.94Å; H529-D532 PolarHBondContact O-N 2.99Å; H529-D533 WeakPolarHBondContact O-CB 3.29Å; H529-D533 VanDerWaalsContact O-CG 3.25Å; H529-D533 PolarHBondContact O-N 3.23Å
530	T	91.4	Very high	89	Confident	50 Å²	50	43.7 Å²	43.7	31%	0.307	22%	0.218	S	C	.	.	H	α-helix	trans	-60.8	-38.6	-178.4	-51	0	0	0	0	112.2	K526 L527 I528 R534 L674	K526-T530 WeakPolarHBondContact O-CB 3.31Å; K526-T530 PolarHBondContact O-N 3.44Å; K526-T530 PolarHBondContact O-OG1 3.35Å; L527-T530 PolarHBondContact O-N 2.93Å; I528-T530 PolarHBondContact O-N 2.92Å; T530-R534 WeakPolarHBondContact O-CB 3.31Å; T530-R534 PolarHBondContact O-N 2.87Å; T530-L674 HydrophobicContact CG2-CD2 3.91Å
531	L	90.9	Very high	87.3	Confident	7 Å²	7	49.7 Å²	49.7	4%	0.037	25%	0.246	C	C	.	.	H	α-helix	trans	-79	-40.7	-177.7	-69.2	170.9	0	0	0	112.7	L527 I528 H529 D533 R534 T535 L616 H620 L622	L527-L531 WeakPolarHBondContact O-CB 3.44Å; L527-L531 WeakPolarHBondContact O-CG 3.37Å; L527-L531 PolarHBondContact O-N 2.94Å; I528-L531 PolarHBondContact O-N 3.25Å; H529-L531 VanDerWaalsContact C-N 3.3Å; H529-L531 PolarHBondContact O-N 2.94Å; L531-D533 VanDerWaalsContact C-N 3.35Å; L531-R534 VanDerWaalsContact CD2-CZ 3.43Å; L531-R534 VanDerWaalsContact CD2-NH2 3.28Å; L531-R534 PolarHBondContact O-N 2.86Å; L531-T535 WeakPolarHBondContact O-CB 3.23Å; L531-T535 VanDerWaalsContact O-CG2 3.29Å; L531-T535 WeakPolarHBondContact O-CG2 3.39Å; L531-T535 PolarHBondContact O-N 3.14Å; L531-T535 PolarHBondContact O-OG1 3.32Å; L531-L616 HydrophobicContact CD1-CD2 3.71Å; L531-H620 HydrophobicContact CD1-CB 4.04Å; L531-L622 HydrophobicContact CD1-CD2 4.22Å
532	D	91	Very high	85.4	Confident	11 Å²	11	53.9 Å²	53.9	6%	0.059	27%	0.273	C	S	.	.	H	α-helix	trans	-63.5	-42.2	176.3	-74.4	7	0	0	0	110.5	I528 H529 T535 Q536 L537 W538 N555 Y615 H620	I528-D532 VanDerWaalsContact O-CB 3.28Å; I528-D532 WeakPolarHBondContact O-CB 3.24Å; I528-D532 VanDerWaalsContact O-CG 3.31Å; I528-D532 PolarHBondContact O-N 2.75Å; H529-D532 PolarHBondContact O-N 2.99Å; D532-T535 PolarHBondContact O-OG1 2.9Å; D532-Q536 WeakPolarHBondContact O-CA 3.3Å; D532-Q536 PolarHBondContact O-N 2.71Å; D532-L537 PolarHBondContact O-N 2.88Å; D532-W538 PolarHBondContact OD2-NE1 3.49Å; D532-N555 PolarHBondContact OD2-ND2 3.15Å; D532-Y615 WeakPolarHBondContact OD1-CE1 3.47Å; D532-Y615 PolarHBondContact OD1-OH 3.2Å; D532-Y615 PolarHBondContact OD2-OH 3.45Å; D532-H620 IonicContact OD1-CD2 3.58Å; D532-H620 IonicContact OD1-CE1 3.33Å; D532-H620 IonicContact OD1-NE2 2.65Å; D532-H620 PolarHBondContact OD1-NE2 3.49Å
533	D	87.6	Confident	83.7	Confident	96 Å²	96	51.6 Å²	51.6	51%	0.513	29%	0.285	S	S	.	.	H	α-helix	trans	-67.8	-44	174.4	-69.2	-19	0	0	0	111.6	H529 L531 T535 Q536	H529-D533 WeakPolarHBondContact O-CB 3.29Å; H529-D533 VanDerWaalsContact O-CG 3.25Å; H529-D533 PolarHBondContact O-N 3.23Å; L531-D533 VanDerWaalsContact C-N 3.35Å; D533-T535 VanDerWaalsContact C-N 3.27Å; D533-T535 PolarHBondContact O-N 2.92Å; D533-Q536 PolarHBondContact O-N 3.25Å; D533-Q536 PolarHBondContact O-NE2 2.71Å
534	R	86.6	Confident	82	Confident	122 Å²	122	54.8 Å²	54.8	46%	0.46	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-31.8	177.7	-176.9	175.1	87.5	178	7.9	112.9	T530 L531 E629 L673	T530-R534 WeakPolarHBondContact O-CB 3.31Å; T530-R534 PolarHBondContact O-N 2.87Å; L531-R534 VanDerWaalsContact CD2-CZ 3.43Å; L531-R534 VanDerWaalsContact CD2-NH2 3.28Å; L531-R534 PolarHBondContact O-N 2.86Å; R534-E629 IonicContact NH2-OE1 2.71Å; R534-E629 IonicContact NH2-OE2 3.72Å; R534-E629 PolarHBondContact NH2-OE2 2.92Å; R534-L673 PolarHBondContact NH1-O 3.16Å
535	T	86.4	Confident	80.3	Confident	30 Å²	30	60 Å²	60	18%	0.184	34%	0.339	C	S	.	.	H	α-helix	trans	-97.9	-11.3	-178.3	58.2	0	0	0	0	113.4	L217 L531 D532 D533 L537	L217-T535 HydrophobicContact CD1-CG2 3.59Å; L531-T535 WeakPolarHBondContact O-CB 3.23Å; L531-T535 VanDerWaalsContact O-CG2 3.29Å; L531-T535 WeakPolarHBondContact O-CG2 3.39Å; L531-T535 PolarHBondContact O-N 3.14Å; L531-T535 PolarHBondContact O-OG1 3.32Å; D532-T535 PolarHBondContact O-OG1 2.9Å; D533-T535 VanDerWaalsContact C-N 3.27Å; D533-T535 PolarHBondContact O-N 2.92Å; T535-L537 VanDerWaalsContact C-N 3.25Å; T535-L537 PolarHBondContact O-N 3.23Å
536	Q	85.6	Confident	78.6	Confident	112 Å²	112	65.3 Å²	65.3	52%	0.523	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	45.5	-174.2	-67.6	-69.8	-61.3	0	0	111.6	D532 D533 W538	D532-Q536 WeakPolarHBondContact O-CA 3.3Å; D532-Q536 PolarHBondContact O-N 2.71Å; D533-Q536 PolarHBondContact O-N 3.25Å; D533-Q536 PolarHBondContact O-NE2 2.71Å; Q536-W538 PolarHBondContact O-N 3.08Å
537	L	82.9	Confident	77.4	Confident	7 Å²	7	65.8 Å²	65.8	4%	0.037	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-36.6	-167.6	-150.7	73	0	0	0	113	L217 Q218 L221 D532 T535 Y615 V619	L217-L537 HydrophobicContact CB-CD1 3.54Å; L217-L537 HydrophobicContact CD1-CD1 4.42Å; Q218-L537 HydrophobicContact CG-CD1 4.45Å; L221-L537 HydrophobicContact CB-CD2 4.15Å; L221-L537 HydrophobicContact CD1-CD2 4.24Å; L221-L537 HydrophobicContact CD2-CD2 3.85Å; L221-L537 HydrophobicContact CD2-CG 4.02Å; L221-L537 HydrophobicContact CG-CD2 4.3Å; D532-L537 PolarHBondContact O-N 2.88Å; T535-L537 VanDerWaalsContact C-N 3.25Å; T535-L537 PolarHBondContact O-N 3.23Å; L537-Y615 WeakPolarHBondContact CD2-OH 3.28Å; L537-V619 HydrophobicContact CD2-CG1 3.62Å
538	W	84	Confident	76.1	Confident	40 Å²	40	72.3 Å²	72.3	15%	0.152	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	24.2	-175.2	-61	97.6	0	0	0	114	L221 L225 D532 Q536 S540 S553 N555 P556 Y615	L221-W538 HydrophobicContact CD1-CH2 4Å; L221-W538 HydrophobicContact CD1-CZ2 3.64Å; L221-W538 HydrophobicContact CD2-CD2 4.35Å; L221-W538 HydrophobicContact CD2-CE3 4.45Å; L221-W538 HydrophobicContact CD2-CH2 4.21Å; L221-W538 HydrophobicContact CD2-CZ2 4.1Å; L221-W538 HydrophobicContact CD2-CZ3 4.38Å; L221-W538 HydrophobicContact CG-CZ2 4.46Å; L225-W538 HydrophobicContact CD1-CH2 4.04Å; L225-W538 HydrophobicContact CD1-CZ3 4.42Å; L225-W538 HydrophobicContact CD2-CH2 4.25Å; D532-W538 PolarHBondContact OD2-NE1 3.49Å; Q536-W538 PolarHBondContact O-N 3.08Å; W538-S540 PolarHBondContact O-N 3.29Å; W538-S553 WeakPolarHBondContact CB-O 3.23Å; W538-S553 PolarHBondContact O-N 2.87Å; W538-N555 HydrophobicContact CZ2-CB 3.85Å; W538-P556 HydrophobicContact CH2-CG 4.17Å; W538-Y615 PolarHBondContact NE1-OH 3.39Å
539	A	77.2	Confident	74.8	Confident	37 Å²	37	78.1 Å²	78.1	31%	0.306	46%	0.458	S	S	.	.			trans	-57.9	122.2	174.5	0	0	0	0	0	110.6	E541	A539-E541 PolarHBondContact O-N 2.93Å; A539-E541 VanDerWaalsContact O-N 3.15Å
540	S	60.3	Low	73.5	Confident	67 Å²	67	76.9 Å²	76.9	47%	0.469	46%	0.459	S	S	.	.	S	Bend	trans	-64.7	-22.8	-165.2	-56.6	0	0	0	0	114.5	W538 L551 P552 S553	W538-S540 PolarHBondContact O-N 3.29Å; S540-L551 PolarHBondContact OG-O 3.16Å; S540-P552 WeakPolarHBondContact OG-CA 3.34Å; S540-S553 PolarHBondContact OG-N 3.36Å
541	E	60.6	Low	72.3	Confident	127 Å²	127	81.3 Å²	81.3	59%	0.593	48%	0.48	S	S	*	.	S	Bend	trans	-136	104.5	168.7	-71.2	-170.8	167	0	0	110.2	A539 G543 T544	A539-E541 PolarHBondContact O-N 2.93Å; A539-E541 VanDerWaalsContact O-N 3.15Å; E541-G543 VanDerWaalsContact C-N 3.27Å; E541-G543 PolarHBondContact O-N 3.43Å; E541-T544 WeakPolarHBondContact CB-OG1 3.42Å; E541-T544 WeakPolarHBondContact OE2-CB 3.32Å; E541-T544 WeakPolarHBondContact OE2-CG2 3.27Å; E541-T544 PolarHBondContact OE2-OG1 3.42Å
542	P	56.7	Low	71.2	Confident	87 Å²	87	84.7 Å²	84.7	57%	0.565	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	72.1	-179.3	31.2	-35.4	0	0	0	112
543	G	58.5	Low	70.4	Confident	76 Å²	76	87.2 Å²	87.2	78%	0.784	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	168	-23.7	173.8	0	0	0	0	0	115.5	E541	E541-G543 VanDerWaalsContact C-N 3.27Å; E541-G543 PolarHBondContact O-N 3.43Å
544	T	59.6	Low	70.1	Confident	76 Å²	76	88.4 Å²	88.4	47%	0.466	52%	0.523	S	S	.	.	S	Bend	trans	-85.3	152.1	174.2	48.1	0	0	0	0	110.8	E541	E541-T544 WeakPolarHBondContact CB-OG1 3.42Å; E541-T544 WeakPolarHBondContact OE2-CB 3.32Å; E541-T544 WeakPolarHBondContact OE2-CG2 3.27Å; E541-T544 PolarHBondContact OE2-OG1 3.42Å
545	P	60.8	Low	70.1	Confident	110 Å²	110	82.9 Å²	82.9	71%	0.714	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-61.1	132.6	171.1	-20	32.4	0	0	0	109.7	L547	P545-L547 PolarHBondContact O-N 3.01Å; P545-L547 VanDerWaalsContact O-N 3.17Å
546	P	59.2	Low	70.3	Confident	118 Å²	118	83.6 Å²	83.6	77%	0.766	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-63.1	121	-179.3	25.7	-33.6	0	0	0	110
547	L	67.9	Low	70.5	Confident	117 Å²	117	79.4 Å²	79.4	61%	0.613	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-77.7	146.4	172.8	-72.4	170.1	0	0	0	109.1	P545 T549 S550	P545-L547 PolarHBondContact O-N 3.01Å; P545-L547 VanDerWaalsContact O-N 3.17Å; L547-T549 PolarHBondContact O-N 2.8Å; L547-S550 PolarHBondContact N-OG 2.94Å; L547-S550 PolarHBondContact O-N 2.73Å; L547-S550 PolarHBondContact O-OG 3.08Å
548	P	66.4	Low	70.9	Confident	139 Å²	139	79.6 Å²	79.6	90%	0.903	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-18.7	178	-25.9	34.9	0	0	0	114.5
549	T	66.8	Low	71.1	Confident	123 Å²	123	83.3 Å²	83.3	76%	0.755	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-9.7	178.4	50.8	0	0	0	0	114.3	L547 L551	L547-T549 PolarHBondContact O-N 2.8Å; T549-L551 PolarHBondContact O-N 2.62Å
550	S	63.6	Low	71.7	Confident	62 Å²	62	86.7 Å²	86.7	43%	0.434	52%	0.52	S	S	.	.			trans	-81.2	101.8	179.1	62	0	0	0	0	110.5	L547	L547-S550 PolarHBondContact N-OG 2.94Å; L547-S550 PolarHBondContact O-N 2.73Å; L547-S550 PolarHBondContact O-OG 3.08Å
551	L	65.8	Low	73.1	Confident	144 Å²	144	84.1 Å²	84.1	75%	0.754	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-70.6	140	168.6	-60.6	177.4	0	0	0	109.7	S540 T549	S540-L551 PolarHBondContact OG-O 3.16Å; T549-L551 PolarHBondContact O-N 2.62Å
552	P	68	Low	74.3	Confident	78 Å²	78	82.1 Å²	82.1	51%	0.506	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-65.4	152.6	171.5	29.3	-34.6	0	0	0	110.4	S540 Q554	S540-P552 WeakPolarHBondContact OG-CA 3.34Å; P552-Q554 PolarHBondContact O-N 2.63Å
553	S	74.1	Confident	75.8	Confident	64 Å²	64	82 Å²	82	45%	0.448	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-63.5	136.3	171.3	-173.8	0	0	0	0	109.7	W538 S540	W538-S553 WeakPolarHBondContact CB-O 3.23Å; W538-S553 PolarHBondContact O-N 2.87Å; S540-S553 PolarHBondContact OG-N 3.36Å
554	Q	80.4	Confident	77	Confident	120 Å²	120	83.3 Å²	83.3	56%	0.561	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-83.2	128.3	-177.8	-167.2	-177.1	18.6	0	0	110.9	P552	P552-Q554 PolarHBondContact O-N 2.63Å
555	N	88.4	Confident	78.3	Confident	6 Å²	6	82.4 Å²	82.4	3%	0.032	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-53.6	120.2	175.9	-170.6	-20.9	0	0	0	110.9	I528 D532 W538 I557 L558 Y615	I528-N555 WeakPolarHBondContact CG2-ND2 3.18Å; D532-N555 PolarHBondContact OD2-ND2 3.15Å; W538-N555 HydrophobicContact CZ2-CB 3.85Å; N555-I557 VanDerWaalsContact C-N 3.26Å; N555-I557 PolarHBondContact O-N 3.18Å; N555-I557 WeakPolarHBondContact OD1-CG1 3.32Å; N555-I557 PolarHBondContact OD1-N 3.14Å; N555-L558 HydrophobicContact CB-CD1 4.19Å; N555-L558 HydrophobicContact CB-CG 4.37Å; N555-L558 PolarHBondContact O-N 2.93Å; N555-Y615 PolarHBondContact ND2-OH 2.99Å
556	P	89.6	Confident	79.3	Confident	46 Å²	46	82.3 Å²	82.3	30%	0.299	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-63.9	-26.7	-171.3	24.4	-34.7	0	0	0	114	L225 M228 W538 L558 K559	L225-P556 HydrophobicContact CD2-CG 4.11Å; M228-P556 HydrophobicContact CE-CG 4.21Å; W538-P556 HydrophobicContact CH2-CG 4.17Å; P556-L558 VanDerWaalsContact C-N 3.27Å; P556-L558 PolarHBondContact O-N 2.82Å; P556-K559 PolarHBondContact O-N 3.13Å
557	I	90	Very high	80	Confident	23 Å²	23	81.6 Å²	81.6	12%	0.118	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-75.9	-14.3	-178.3	75.7	-166.9	0	0	0	113.6	F224 M228 I528 N555 L612 Y615	F224-I557 HydrophobicContact CE1-CG2 4.09Å; F224-I557 HydrophobicContact CZ-CG2 4.36Å; M228-I557 HydrophobicContact SD-CG2 4.11Å; I528-I557 HydrophobicContact CD1-CD1 4.04Å; N555-I557 VanDerWaalsContact C-N 3.26Å; N555-I557 PolarHBondContact O-N 3.18Å; N555-I557 WeakPolarHBondContact OD1-CG1 3.32Å; N555-I557 PolarHBondContact OD1-N 3.14Å; I557-L612 HydrophobicContact CB-CD2 4.3Å; I557-L612 HydrophobicContact CD1-CD2 4.09Å; I557-L612 HydrophobicContact CG1-CD2 3.82Å; I557-Y615 HydrophobicContact CD1-CD1 3.87Å; I557-Y615 HydrophobicContact CD1-CD2 3.51Å; I557-Y615 HydrophobicContact CD1-CE2 4.23Å; I557-Y615 HydrophobicContact CD1-CG 3.29Å
558	L	90.4	Very high	79.7	Confident	11 Å²	11	84.6 Å²	84.6	6%	0.058	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-94.7	-3.5	178.9	-63.2	-179.8	0	0	0	112.9	A525 I528 N555 P556 N560 I561 L612	A525-L558 HydrophobicContact CB-CD2 4Å; I528-L558 HydrophobicContact CB-CD1 4.26Å; I528-L558 HydrophobicContact CB-CD2 4.31Å; I528-L558 HydrophobicContact CD1-CD2 4.19Å; I528-L558 HydrophobicContact CG2-CD1 3.69Å; I528-L558 HydrophobicContact CG2-CD2 4.27Å; I528-L558 HydrophobicContact CG2-CG 4.17Å; N555-L558 HydrophobicContact CB-CD1 4.19Å; N555-L558 HydrophobicContact CB-CG 4.37Å; N555-L558 PolarHBondContact O-N 2.93Å; P556-L558 VanDerWaalsContact C-N 3.27Å; P556-L558 PolarHBondContact O-N 2.82Å; L558-N560 PolarHBondContact O-N 2.97Å; L558-I561 WeakPolarHBondContact O-CG2 3.48Å; L558-I561 PolarHBondContact O-N 2.73Å; L558-L612 HydrophobicContact CD2-CD2 3.98Å
559	K	89.5	Confident	79.7	Confident	119 Å²	119	82.6 Å²	82.6	52%	0.517	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	130.9	175.8	-66	-179	177.8	-179.3	0	109.5	P556 I561	P556-K559 PolarHBondContact O-N 3.13Å; K559-I561 PolarHBondContact O-N 2.97Å; K559-I561 VanDerWaalsContact O-N 3.16Å
560	N	88.5	Confident	79.5	Confident	107 Å²	107	79.9 Å²	79.9	57%	0.572	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	23.5	178.4	-56.3	15.6	0	0	0	114.2	L558 T562 D563 Y564	L558-N560 PolarHBondContact O-N 2.97Å; N560-T562 PolarHBondContact O-N 3.13Å; N560-D563 WeakPolarHBondContact CB-OD2 3.48Å; N560-D563 WeakPolarHBondContact O-CB 3.33Å; N560-D563 PolarHBondContact O-N 2.74Å; N560-Y564 WeakPolarHBondContact O-CD2 3.3Å
561	I	89.9	Confident	79.7	Confident	14 Å²	14	79.5 Å²	79.5	7%	0.072	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-26.4	-177.9	-158.4	64.7	0	0	0	112.7	I521 A525 L558 K559 D563 Y564 V608 L612	I521-I561 HydrophobicContact CG2-CD1 3.86Å; I521-I561 HydrophobicContact CG2-CG1 3.82Å; A525-I561 HydrophobicContact CB-CG1 4.46Å; A525-I561 HydrophobicContact CB-CG2 4.49Å; L558-I561 WeakPolarHBondContact O-CG2 3.48Å; L558-I561 PolarHBondContact O-N 2.73Å; K559-I561 PolarHBondContact O-N 2.97Å; K559-I561 VanDerWaalsContact O-N 3.16Å; I561-D563 PolarHBondContact O-N 2.84Å; I561-Y564 HydrophobicContact CD1-CD2 4.49Å; I561-Y564 PolarHBondContact O-N 3.34Å; I561-V608 HydrophobicContact CD1-CG1 3.32Å; I561-L612 HydrophobicContact CD1-CD1 4.08Å; I561-L612 HydrophobicContact CD1-CD2 4.41Å; I561-L612 HydrophobicContact CG1-CD1 4.4Å
562	T	86.8	Confident	79.7	Confident	84 Å²	84	80.2 Å²	80.2	52%	0.515	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-33.8	175.5	40.4	0	0	0	0	113.2	N560 Y564 L565 I566	N560-T562 PolarHBondContact O-N 3.13Å; T562-Y564 VanDerWaalsContact C-N 3.26Å; T562-Y564 PolarHBondContact O-N 2.83Å; T562-L565 WeakPolarHBondContact O-CB 3.43Å; T562-L565 PolarHBondContact O-N 2.78Å; T562-I566 PolarHBondContact O-N 3.19Å
563	D	87.6	Confident	79.6	Confident	84 Å²	84	82.1 Å²	82.1	45%	0.449	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-32.9	-171.8	-50.7	3.3	0	0	0	109.7	N560 I561 L565	N560-D563 WeakPolarHBondContact CB-OD2 3.48Å; N560-D563 WeakPolarHBondContact O-CB 3.33Å; N560-D563 PolarHBondContact O-N 2.74Å; I561-D563 PolarHBondContact O-N 2.84Å; D563-L565 VanDerWaalsContact C-N 3.34Å
564	Y	84.6	Confident	79.2	Confident	104 Å²	104	85 Å²	85	41%	0.408	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-13	173.6	-58.4	-76.6	0	0	0	114.4	N560 I561 T562 L605 V608	N560-Y564 WeakPolarHBondContact O-CD2 3.3Å; I561-Y564 HydrophobicContact CD1-CD2 4.49Å; I561-Y564 PolarHBondContact O-N 3.34Å; T562-Y564 VanDerWaalsContact C-N 3.26Å; T562-Y564 PolarHBondContact O-N 2.83Å; Y564-L605 HydrophobicContact CD1-CD2 4.22Å; Y564-L605 WeakPolarHBondContact O-CD2 3.17Å; Y564-V608 HydrophobicContact CD1-CG2 3.99Å; Y564-V608 HydrophobicContact CD2-CG1 4.19Å; Y564-V608 HydrophobicContact CD2-CG2 4.17Å; Y564-V608 HydrophobicContact CE1-CG2 3.83Å; Y564-V608 HydrophobicContact CE2-CG2 4Å; Y564-V608 HydrophobicContact CG-CG1 4.4Å; Y564-V608 HydrophobicContact CG-CG2 4.15Å
565	L	85.1	Confident	79	Confident	57 Å²	57	85.9 Å²	85.9	30%	0.298	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-19.1	178.1	-65.1	178.5	0	0	0	112.8	R518 I521 K522 T562 D563	R518-L565 VanDerWaalsContact O-CD2 3.31Å; R518-L565 WeakPolarHBondContact O-CD2 3.28Å; I521-L565 HydrophobicContact CB-CD2 3.93Å; I521-L565 HydrophobicContact CG2-CD2 3.75Å; I521-L565 HydrophobicContact CG2-CG 4.35Å; K522-L565 HydrophobicContact CB-CD1 4.19Å; K522-L565 HydrophobicContact CB-CD2 3.97Å; T562-L565 WeakPolarHBondContact O-CB 3.43Å; T562-L565 PolarHBondContact O-N 2.78Å; D563-L565 VanDerWaalsContact C-N 3.34Å
566	I	82.4	Confident	78.2	Confident	109 Å²	109	92.2 Å²	92.2	56%	0.559	47%	0.473	S	S	*	.	S	Bend	trans	-77.1	134	174.1	-61	165.2	0	0	0	108.1	T562 E568	T562-I566 PolarHBondContact O-N 3.19Å; I566-E568 PolarHBondContact O-N 2.68Å; I566-E568 VanDerWaalsContact O-N 3.15Å
567	E	73.3	Confident	77.2	Confident	103 Å²	103	96 Å²	96	48%	0.481	49%	0.49	S	S	.	.			trans	-80	95.8	171.7	-58.3	-153.1	144.5	0	0	109.3	R518 V569	R518-E567 IonicContact CZ-OE1 3.69Å; R518-E567 IonicContact NE-OE1 3.65Å; R518-E567 IonicContact NH1-OE1 2.71Å; R518-E567 PolarHBondContact NH1-OE1 3.27Å; E567-V569 VanDerWaalsContact C-N 3.31Å; E567-V569 HydrophobicContact CB-CG1 4.39Å; E567-V569 PolarHBondContact O-N 2.98Å
568	E	63.1	Low	75.3	Confident	180 Å²	180	96.4 Å²	96.4	84%	0.841	50%	0.5	S	S	*	.			trans	-63.4	94.9	161.3	-70.8	-174.2	165.8	0	0	108.7	I566	I566-E568 PolarHBondContact O-N 2.68Å; I566-E568 VanDerWaalsContact O-N 3.15Å
569	V	65.8	Low	73.4	Confident	97 Å²	97	100.8 Å²	100.8	59%	0.588	53%	0.531	S	S	*	.			trans	-112.4	131.8	169.3	-71.4	0	0	0	0	108.8	E567 A571	E567-V569 VanDerWaalsContact C-N 3.31Å; E567-V569 HydrophobicContact CB-CG1 4.39Å; E567-V569 PolarHBondContact O-N 2.98Å; V569-A571 HydrophobicContact CG2-CB 4.17Å; V569-A571 PolarHBondContact O-N 2.63Å
570	S	62.6	Low	71.4	Confident	65 Å²	65	100 Å²	100	46%	0.455	54%	0.541	S	S	.	.			trans	-76.9	49.3	173.3	50.9	0	0	0	0	111.1	E572 E573 E574	S570-E572 PolarHBondContact O-N 3.47Å; S570-E572 VanDerWaalsContact O-N 3.16Å; S570-E573 WeakPolarHBondContact O-CA 3.42Å; S570-E573 WeakPolarHBondContact O-CB 3.45Å; S570-E573 PolarHBondContact O-N 3.3Å; S570-E574 PolarHBondContact O-N 3.17Å
571	A	67.1	Low	69.5	Low	55 Å²	55	98.2 Å²	98.2	46%	0.455	55%	0.548	S	S	.	.	H	α-helix	trans	-58.8	-30	-176.8	0	0	0	0	0	112.5	V569 E575	V569-A571 HydrophobicContact CG2-CB 4.17Å; V569-A571 PolarHBondContact O-N 2.63Å; A571-E575 WeakPolarHBondContact O-CB 3.36Å; A571-E575 PolarHBondContact O-N 3.22Å
572	E	67.6	Low	67	Low	159 Å²	159	100.5 Å²	100.5	74%	0.743	58%	0.575	S	S	*	*	H	α-helix	trans	-64.4	-39.1	171.3	-176.1	175.3	-168.9	0	0	112.2	S570 L576	S570-E572 PolarHBondContact O-N 3.47Å; S570-E572 VanDerWaalsContact O-N 3.16Å; E572-L576 HydrophobicContact CG-CD1 4.02Å; E572-L576 WeakPolarHBondContact O-CB 3.18Å; E572-L576 WeakPolarHBondContact O-CD1 3.23Å; E572-L576 VanDerWaalsContact O-CG 3.29Å; E572-L576 WeakPolarHBondContact O-CG 3.1Å; E572-L576 PolarHBondContact O-N 2.88Å
573	E	64.4	Low	64.9	Low	118 Å²	118	100.8 Å²	100.8	55%	0.551	59%	0.585	S	S	*	*	H	α-helix	trans	-74.1	-40.8	177.9	-168.8	175.6	-166.2	0	0	111.5	S570 L576 L577	S570-E573 WeakPolarHBondContact O-CA 3.42Å; S570-E573 WeakPolarHBondContact O-CB 3.45Å; S570-E573 PolarHBondContact O-N 3.3Å; E573-L576 PolarHBondContact O-N 3.01Å; E573-L577 HydrophobicContact CG-CD1 4.01Å; E573-L577 HydrophobicContact CG-CG 4.5Å; E573-L577 VanDerWaalsContact O-CB 3.29Å; E573-L577 WeakPolarHBondContact O-CB 3.27Å; E573-L577 WeakPolarHBondContact O-CG 3.2Å; E573-L577 PolarHBondContact O-N 3.11Å
574	E	65.8	Low	62.8	Low	125 Å²	125	102.3 Å²	102.3	58%	0.584	60%	0.6	S	S	*	*	H	α-helix	trans	-65.8	-37.3	176.1	-66.9	-172.1	164.4	0	0	112.6	S570 G578	S570-E574 PolarHBondContact O-N 3.17Å; E574-G578 PolarHBondContact O-N 3.03Å
575	E	75.6	Confident	60.7	Low	138 Å²	138	102.6 Å²	102.6	65%	0.645	61%	0.614	S	S	*	*	H	α-helix	trans	-71.4	-43	173.8	-173.4	71	177.8	0	0	111.4	A571 L577 G578	A571-E575 WeakPolarHBondContact O-CB 3.36Å; A571-E575 PolarHBondContact O-N 3.22Å; E575-L577 VanDerWaalsContact C-N 3.31Å; E575-L577 PolarHBondContact O-N 2.97Å; E575-G578 PolarHBondContact O-N 3.2Å
576	L	72.8	Confident	58.8	Low	138 Å²	138	109.5 Å²	109.5	72%	0.723	65%	0.645	S	S	*	*	H	α-helix	trans	-61.9	-35.8	174.2	-88.4	164.2	0	0	0	113	E572 E573 G578	E572-L576 HydrophobicContact CG-CD1 4.02Å; E572-L576 WeakPolarHBondContact O-CB 3.18Å; E572-L576 WeakPolarHBondContact O-CD1 3.23Å; E572-L576 VanDerWaalsContact O-CG 3.29Å; E572-L576 WeakPolarHBondContact O-CG 3.1Å; E572-L576 PolarHBondContact O-N 2.88Å; E573-L576 PolarHBondContact O-N 3.01Å; L576-G578 PolarHBondContact O-N 3.41Å
577	L	68.8	Low	57.1	Low	126 Å²	126	112 Å²	112	66%	0.66	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-4.4	175.1	-69.8	172.3	0	0	0	113	E573 E575 S579	E573-L577 HydrophobicContact CG-CD1 4.01Å; E573-L577 HydrophobicContact CG-CG 4.5Å; E573-L577 VanDerWaalsContact O-CB 3.29Å; E573-L577 WeakPolarHBondContact O-CB 3.27Å; E573-L577 WeakPolarHBondContact O-CG 3.2Å; E573-L577 PolarHBondContact O-N 3.11Å; E575-L577 VanDerWaalsContact C-N 3.31Å; E575-L577 PolarHBondContact O-N 2.97Å; L577-S579 VanDerWaalsContact C-N 3.26Å; L577-S579 PolarHBondContact O-N 3.28Å
578	G	49.3	Very low	55.4	Low	31 Å²	31	112.5 Å²	112.5	32%	0.32	67%	0.667	S	S	.	*	T	Hydrogen-bonded Turn	trans	61.2	29.9	170.1	0	0	0	0	0	114.4	E574 E575 L576 S580 G581	E574-G578 PolarHBondContact O-N 3.03Å; E575-G578 PolarHBondContact O-N 3.2Å; L576-G578 PolarHBondContact O-N 3.41Å; G578-S580 PolarHBondContact O-N 3.41Å; G578-G581 PolarHBondContact O-N 2.96Å
579	S	50.8	Low	54.4	Low	103 Å²	103	109.7 Å²	109.7	72%	0.72	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-7.7	-178.7	-70	0	0	0	0	113.6	L577 G581	L577-S579 VanDerWaalsContact C-N 3.26Å; L577-S579 PolarHBondContact O-N 3.28Å; S579-G581 VanDerWaalsContact C-N 3.3Å
580	S	47.2	Very low	53.5	Low	103 Å²	103	114.4 Å²	114.4	72%	0.72	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-6.5	166.5	53.7	0	0	0	0	114.3	G578	G578-S580 PolarHBondContact O-N 3.41Å
581	G	48.8	Very low	52.9	Low	69 Å²	69	120.2 Å²	120.2	71%	0.711	70%	0.697	S	S	*	*	S	Bend	trans	-134.2	13.1	-175.6	0	0	0	0	0	116	G578 S579	G578-G581 PolarHBondContact O-N 2.96Å; S579-G581 VanDerWaalsContact C-N 3.3Å
582	G	38	Very low	51.7	Low	62 Å²	62	119.9 Å²	119.9	64%	0.639	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-70.5	147	176.5	0	0	0	0	0	113.6
583	A	42.1	Very low	50.9	Low	90 Å²	90	117.6 Å²	117.6	74%	0.744	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-53.9	152.5	179.4	0	0	0	0	0	113.2
584	P	42.6	Very low	50.5	Low	117 Å²	117	118.4 Å²	118.4	76%	0.76	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-56.9	131.9	179	24.8	-34.9	0	0	0	110.4	E586	P584-E586 PolarHBondContact O-N 3.4Å
585	P	41.8	Very low	50.2	Low	109 Å²	109	114.6 Å²	114.6	71%	0.708	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-65.5	124.4	-178.9	25.3	-33	0	0	0	110.3	E587	P585-E587 PolarHBondContact O-N 2.9Å
586	E	44.9	Very low	49.6	Very low	203 Å²	203	112.1 Å²	112.1	95%	0.949	69%	0.685	S	S	*	*	S	Bend	trans	-74.2	21.4	171.3	-75.8	-160	136.4	0	0	113.4	P584	P584-E586 PolarHBondContact O-N 3.4Å
587	E	46.3	Very low	49.6	Very low	162 Å²	162	108 Å²	108	76%	0.757	66%	0.663	S	S	*	*	S	Bend	trans	-123.2	124.8	160.5	-67.4	-160.7	163.8	0	0	109.1	P585	P585-E587 PolarHBondContact O-N 2.9Å
588	P	37.1	Very low	49.9	Very low	113 Å²	113	107.4 Å²	107.4	73%	0.734	66%	0.66	S	S	*	*			trans	-64.1	134.8	175.4	27.2	-33.2	0	0	0	109.2	K590	P588-K590 PolarHBondContact O-N 3.31Å
589	P	42.7	Very low	51.3	Low	121 Å²	121	106.6 Å²	106.6	79%	0.786	65%	0.65	S	S	*	*			trans	-58.9	119.8	174.2	24.5	-32.7	0	0	0	108.7	E591	P589-E591 PolarHBondContact O-N 3.43Å
590	K	48.2	Very low	52.9	Low	195 Å²	195	106.6 Å²	106.6	85%	0.848	64%	0.638	S	S	*	*			trans	-59.7	111.4	173.8	-75.1	177.3	-179.9	167.3	0	108.6	P588 G592	P588-K590 PolarHBondContact O-N 3.31Å; K590-G592 PolarHBondContact O-N 3.3Å
591	E	48.6	Very low	54.9	Low	188 Å²	188	105.6 Å²	105.6	88%	0.879	62%	0.619	S	S	*	*	S	Bend	trans	4	105.1	173.3	-64.9	176.7	138.7	0	0	115.3	P589 R653	P589-E591 PolarHBondContact O-N 3.43Å; E591-R653 PolarHBondContact O-NH1 3.01Å; E591-R653 VanDerWaalsContact O-NH1 3.1Å
592	G	43.3	Very low	56.9	Low	47 Å²	47	104.2 Å²	104.2	49%	0.485	60%	0.595	S	S	.	*			trans	-165.9	128.6	170.9	0	0	0	0	0	108.8	K590	K590-G592 PolarHBondContact O-N 3.3Å
593	N	50.8	Low	59.4	Low	112 Å²	112	105.8 Å²	105.8	60%	0.599	59%	0.585	S	S	*	*			trans	-62.6	141.9	170.1	-115.3	-26.1	0	0	0	108.5	A595 E596	N593-A595 PolarHBondContact O-N 3.44Å; N593-E596 HydrophobicContact CB-CG 4.19Å; N593-E596 WeakPolarHBondContact O-CB 3.3Å; N593-E596 PolarHBondContact O-N 3.39Å
594	P	54.6	Low	61.7	Low	135 Å²	135	109.2 Å²	109.2	88%	0.877	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-1	176.6	27.4	-35.4	0	0	0	114
595	A	59.8	Low	64.1	Low	44 Å²	44	104 Å²	104	36%	0.364	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-7.7	172	0	0	0	0	0	114	N593 S655 H656	N593-A595 PolarHBondContact O-N 3.44Å; A595-S655 CarbonylContact O-C 3.57Å; A595-S655 VanDerWaalsContact O-CA 3.29Å; A595-S655 WeakPolarHBondContact O-CA 3.27Å; A595-H656 PolarHBondContact O-N 3.48Å
596	E	63.2	Low	66.6	Low	87 Å²	87	98.9 Å²	98.9	41%	0.407	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.1	-176.8	-70.1	172	-157.2	0	0	112.2	N593 R653	N593-E596 HydrophobicContact CB-CG 4.19Å; N593-E596 WeakPolarHBondContact O-CB 3.3Å; N593-E596 PolarHBondContact O-N 3.39Å; E596-R653 HydrophobicContact CB-CB 3.95Å; E596-R653 HydrophobicContact CG-CB 4.42Å; E596-R653 WeakPolarHBondContact OE2-CD 3.33Å; E596-R653 IonicContact OE2-NH1 3.42Å; E596-R653 PolarHBondContact OE2-NH1 3.05Å
597	I	71.6	Confident	68.9	Low	51 Å²	51	93.9 Å²	93.9	26%	0.262	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.4	-176.1	-59.4	175.6	0	0	0	109.5	I654 H656	I597-I654 PolarHBondContact N-O 3.21Å; I597-I654 PolarHBondContact O-N 2.9Å; I597-H656 HydrophobicContact CD1-CB 3.75Å
598	N	75.3	Confident	71.1	Confident	113 Å²	113	87.3 Å²	87.3	60%	0.604	46%	0.462	S	S	*	.			trans	-77	144.9	169.6	-68.7	-32.3	0	0	0	109.9	E600 R653	N598-E600 PolarHBondContact O-N 3.37Å; N598-R653 WeakPolarHBondContact OD1-CG 3.24Å; N598-R653 PolarHBondContact OD1-NE 3.21Å
599	V	78.6	Confident	73.9	Confident	15 Å²	15	81.9 Å²	81.9	9%	0.091	43%	0.427	C	S	.	.			trans	-70.3	96.5	-177.6	-159.8	0	0	0	0	111.2	Q512 H513 M649 P650 I654	Q512-V599 HydrophobicContact CG-CG1 3.85Å; H513-V599 HydrophobicContact CB-CG1 4.03Å; V599-M649 HydrophobicContact CB-CE 3.91Å; V599-M649 HydrophobicContact CB-CG 4.41Å; V599-M649 HydrophobicContact CG2-CE 4.38Å; V599-M649 HydrophobicContact CG2-CG 4.41Å; V599-P650 HydrophobicContact CG2-CG 4.43Å; V599-I654 HydrophobicContact CB-CD1 4.31Å; V599-I654 HydrophobicContact CG1-CD1 4.18Å; V599-I654 HydrophobicContact CG2-CD1 3.42Å; V599-I654 VanDerWaalsContact CG2-CD1 3.42Å; V599-I654 HydrophobicContact CG2-CG1 3.91Å
600	E	84.9	Confident	76.5	Confident	102 Å²	102	76.3 Å²	76.3	48%	0.477	39%	0.39	S	S	.	.			trans	-75.9	127.1	170.7	-160.4	-165.8	159.4	0	0	110.4	H513 K514 N598	H513-E600 WeakPolarHBondContact CA-O 3.15Å; K514-E600 HydrophobicContact CB-CB 4.43Å; K514-E600 HydrophobicContact CD-CG 4.27Å; K514-E600 WeakPolarHBondContact CD-OE1 3.47Å; K514-E600 WeakPolarHBondContact CD-OE2 3.15Å; K514-E600 PolarHBondContact N-O 2.94Å; K514-E600 VanDerWaalsContact NZ-CD 3.28Å; K514-E600 IonicContact NZ-OE1 2.65Å; K514-E600 PolarHBondContact NZ-OE1 2.96Å; K514-E600 IonicContact NZ-OE2 3.23Å; K514-E600 PolarHBondContact NZ-OE2 3.31Å; K514-E600 VanDerWaalsContact NZ-OE2 3.16Å; N598-E600 PolarHBondContact O-N 3.37Å
601	R	89.3	Confident	78.6	Confident	83 Å²	83	70.2 Å²	70.2	31%	0.313	36%	0.364	S	S	.	.			trans	-117.5	112.1	-177.6	-174.4	176.3	177.3	-90.9	4.6	110	D239 E603 I606	D239-R601 IonicContact OD2-CZ 2.66Å; D239-R601 IonicContact OD2-NH2 3.16Å; D239-R601 PolarHBondContact OD2-NH2 3.1Å; R601-E603 IonicContact CZ-OE1 3.91Å; R601-E603 IonicContact NH1-OE1 2.71Å; R601-E603 PolarHBondContact NH1-OE1 3.29Å; R601-E603 IonicContact NH2-OE1 3.77Å; R601-I606 HydrophobicContact CG-CD1 3.51Å
602	D	90.4	Very high	80.9	Confident	40 Å²	40	61.3 Å²	61.3	21%	0.214	32%	0.322	C	S	.	.			trans	-99.7	109.6	176.8	-176.5	-18.5	0	0	0	110.8	K514 K604 L605 I606	K514-D602 HydrophobicContact CG-CB 4.36Å; D602-K604 VanDerWaalsContact C-N 3.3Å; D602-K604 PolarHBondContact O-N 2.96Å; D602-K604 WeakPolarHBondContact OD1-CB 2.92Å; D602-K604 PolarHBondContact OD1-N 2.84Å; D602-L605 HydrophobicContact CB-CB 4.31Å; D602-L605 HydrophobicContact CB-CD1 4.07Å; D602-L605 HydrophobicContact CB-CG 4.31Å; D602-L605 PolarHBondContact OD1-N 3.4Å; D602-L605 WeakPolarHBondContact OD2-CD1 3.45Å; D602-L605 WeakPolarHBondContact OD2-CG 3.3Å; D602-I606 WeakPolarHBondContact O-CB 3.21Å; D602-I606 WeakPolarHBondContact O-CD1 3.01Å; D602-I606 WeakPolarHBondContact O-CG1 3.19Å; D602-I606 PolarHBondContact O-N 2.86Å; D602-I606 VanDerWaalsContact O-N 3.09Å
603	E	90.6	Very high	83.4	Confident	94 Å²	94	59.4 Å²	59.4	44%	0.439	30%	0.301	S	S	.	.	H	α-helix	trans	-68	-24.8	-178.7	-59.5	-148.9	139.9	0	0	114.2	R601 K607	R601-E603 IonicContact CZ-OE1 3.91Å; R601-E603 IonicContact NH1-OE1 2.71Å; R601-E603 PolarHBondContact NH1-OE1 3.29Å; R601-E603 IonicContact NH2-OE1 3.77Å; E603-K607 VanDerWaalsContact O-CG 3.29Å; E603-K607 WeakPolarHBondContact O-CG 2.92Å; E603-K607 PolarHBondContact O-N 3.06Å
604	K	91.4	Very high	85.5	Confident	163 Å²	163	54.2 Å²	54.2	71%	0.709	27%	0.273	S	S	*	.	H	α-helix	trans	-69.9	-50.6	178.9	-64.2	178.3	-179.2	175.3	0	109.8	D602 I606 K607 V608	D602-K604 VanDerWaalsContact C-N 3.3Å; D602-K604 PolarHBondContact O-N 2.96Å; D602-K604 WeakPolarHBondContact OD1-CB 2.92Å; D602-K604 PolarHBondContact OD1-N 2.84Å; K604-I606 VanDerWaalsContact C-N 3.32Å; K604-I606 PolarHBondContact O-N 2.67Å; K604-K607 PolarHBondContact O-N 2.98Å; K604-V608 PolarHBondContact O-N 2.91Å
605	L	92.9	Very high	87.5	Confident	8 Å²	8	47.8 Å²	47.8	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-40.1	176.6	-65.7	176.1	0	0	0	111.5	K514 V517 R518 I521 Y564 D602 K607 V608 L609	K514-L605 HydrophobicContact CG-CD1 4.25Å; V517-L605 HydrophobicContact CG1-CB 3.77Å; R518-L605 HydrophobicContact CG-CD1 3.77Å; I521-L605 HydrophobicContact CD1-CB 4.19Å; I521-L605 HydrophobicContact CD1-CD2 4.14Å; Y564-L605 HydrophobicContact CD1-CD2 4.22Å; Y564-L605 WeakPolarHBondContact O-CD2 3.17Å; D602-L605 HydrophobicContact CB-CB 4.31Å; D602-L605 HydrophobicContact CB-CD1 4.07Å; D602-L605 HydrophobicContact CB-CG 4.31Å; D602-L605 PolarHBondContact OD1-N 3.4Å; D602-L605 WeakPolarHBondContact OD2-CD1 3.45Å; D602-L605 WeakPolarHBondContact OD2-CG 3.3Å; L605-K607 PolarHBondContact O-N 3.26Å; L605-V608 PolarHBondContact O-N 3.21Å; L605-L609 PolarHBondContact O-N 2.97Å
606	I	94.1	Very high	89.2	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-43.2	176.9	-72.3	169.2	0	0	0	111.9	L237 V517 R601 D602 K604 V608 L609 D610	L237-I606 HydrophobicContact CD2-CG2 3.99Å; V517-I606 HydrophobicContact CG1-CG1 4.04Å; V517-I606 HydrophobicContact CG2-CG1 4.02Å; R601-I606 HydrophobicContact CG-CD1 3.51Å; D602-I606 WeakPolarHBondContact O-CB 3.21Å; D602-I606 WeakPolarHBondContact O-CD1 3.01Å; D602-I606 WeakPolarHBondContact O-CG1 3.19Å; D602-I606 PolarHBondContact O-N 2.86Å; D602-I606 VanDerWaalsContact O-N 3.09Å; K604-I606 VanDerWaalsContact C-N 3.32Å; K604-I606 PolarHBondContact O-N 2.67Å; I606-V608 VanDerWaalsContact C-N 3.26Å; I606-V608 PolarHBondContact O-N 2.95Å; I606-L609 PolarHBondContact O-N 2.74Å; I606-D610 WeakPolarHBondContact O-CB 3.25Å; I606-D610 VanDerWaalsContact O-CG 3.29Å; I606-D610 PolarHBondContact O-N 2.79Å
607	K	92.8	Very high	90.8	Very high	98 Å²	98	41.7 Å²	41.7	43%	0.426	20%	0.195	S	C	.	.	H	α-helix	trans	-62.3	-33.5	176.6	-76.4	175.4	-177.8	-172.3	0	112.9	L237 E603 K604 L605 K611	L237-K607 HydrophobicContact CD2-CG 3.86Å; E603-K607 VanDerWaalsContact O-CG 3.29Å; E603-K607 WeakPolarHBondContact O-CG 2.92Å; E603-K607 PolarHBondContact O-N 3.06Å; K604-K607 PolarHBondContact O-N 2.98Å; L605-K607 PolarHBondContact O-N 3.26Å; K607-K611 WeakPolarHBondContact O-CG 3.37Å; K607-K611 PolarHBondContact O-N 3.45Å
608	V	93.8	Very high	91.9	Very high	24 Å²	24	39.2 Å²	39.2	15%	0.145	18%	0.183	C	C	.	.	H	α-helix	trans	-69.2	-50.7	173.6	173.1	0	0	0	0	110.4	I521 I561 Y564 K604 L605 I606 D610 K611 L612	I521-V608 HydrophobicContact CD1-CG1 4.36Å; I561-V608 HydrophobicContact CD1-CG1 3.32Å; Y564-V608 HydrophobicContact CD1-CG2 3.99Å; Y564-V608 HydrophobicContact CD2-CG1 4.19Å; Y564-V608 HydrophobicContact CD2-CG2 4.17Å; Y564-V608 HydrophobicContact CE1-CG2 3.83Å; Y564-V608 HydrophobicContact CE2-CG2 4Å; Y564-V608 HydrophobicContact CG-CG1 4.4Å; Y564-V608 HydrophobicContact CG-CG2 4.15Å; K604-V608 PolarHBondContact O-N 2.91Å; L605-V608 PolarHBondContact O-N 3.21Å; I606-V608 VanDerWaalsContact C-N 3.26Å; I606-V608 PolarHBondContact O-N 2.95Å; V608-D610 PolarHBondContact O-N 3.08Å; V608-K611 PolarHBondContact O-N 2.86Å; V608-L612 PolarHBondContact O-N 3.16Å
609	L	95.9	Very high	92.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-56.5	-47.9	177.9	179.9	55.7	0	0	0	111.8	V517 D520 I521 A524 L605 I606 K611 L612 L613	V517-L609 HydrophobicContact CB-CD2 4.45Å; V517-L609 HydrophobicContact CG1-CB 4.33Å; V517-L609 HydrophobicContact CG1-CD2 3.93Å; D520-L609 HydrophobicContact CB-CD1 3.91Å; D520-L609 HydrophobicContact CB-CD2 3.75Å; I521-L609 HydrophobicContact CD1-CB 4.37Å; I521-L609 HydrophobicContact CG1-CB 3.76Å; I521-L609 HydrophobicContact CG1-CD1 4.03Å; I521-L609 HydrophobicContact CG1-CG 4.38Å; A524-L609 HydrophobicContact CB-CD1 4.29Å; L605-L609 PolarHBondContact O-N 2.97Å; I606-L609 PolarHBondContact O-N 2.74Å; L609-K611 VanDerWaalsContact C-N 3.28Å; L609-K611 PolarHBondContact O-N 2.95Å; L609-L612 WeakPolarHBondContact O-CA 3.3Å; L609-L612 WeakPolarHBondContact O-CB 3.37Å; L609-L612 PolarHBondContact O-N 3.36Å; L609-L613 HydrophobicContact CD1-CD1 4.15Å; L609-L613 HydrophobicContact CD1-CD2 3.8Å; L609-L613 HydrophobicContact CD1-CG 3.8Å; L609-L613 HydrophobicContact CG-CD1 4.03Å; L609-L613 HydrophobicContact CG-CG 4.01Å; L609-L613 WeakPolarHBondContact O-CG 3.38Å; L609-L613 PolarHBondContact O-N 2.83Å
610	D	95.4	Very high	93.5	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-59.9	-36.5	-177.5	-74.5	-14	0	0	0	112.2	L237 L238 I606 V608 L612 L613 L614 R646	L237-D610 WeakPolarHBondContact CA-OD2 3.45Å; L238-D610 WeakPolarHBondContact CB-OD1 3.4Å; L238-D610 HydrophobicContact CD1-CB 4.27Å; L238-D610 HydrophobicContact CG-CB 4.16Å; L238-D610 WeakPolarHBondContact CG-OD1 3.47Å; L238-D610 PolarHBondContact N-OD2 3.03Å; I606-D610 WeakPolarHBondContact O-CB 3.25Å; I606-D610 VanDerWaalsContact O-CG 3.29Å; I606-D610 PolarHBondContact O-N 2.79Å; V608-D610 PolarHBondContact O-N 3.08Å; D610-L612 PolarHBondContact O-N 2.79Å; D610-L613 PolarHBondContact O-N 2.91Å; D610-L614 VanDerWaalsContact O-CB 3.27Å; D610-L614 WeakPolarHBondContact O-CB 3.18Å; D610-L614 WeakPolarHBondContact O-CD1 3.46Å; D610-L614 WeakPolarHBondContact O-CG 3.37Å; D610-L614 PolarHBondContact O-N 2.73Å; D610-R646 IonicContact OD1-CZ 2.87Å; D610-R646 IonicContact OD1-NE 3.55Å; D610-R646 IonicContact OD1-NH2 2.94Å; D610-R646 PolarHBondContact OD1-NH2 3.46Å; D610-R646 IonicContact OD2-NH2 3.33Å; D610-R646 PolarHBondContact OD2-NH2 3.31Å
611	K	93.9	Very high	94	Very high	67 Å²	67	29.2 Å²	29.2	29%	0.291	13%	0.132	S	C	.	.	H	α-helix	trans	-63.8	-39.2	173.7	-71.4	-176.5	-179.6	-165.7	0	112	D234 K607 V608 L609 Y615	D234-K611 IonicContact OD1-NZ 3.93Å; D234-K611 PolarHBondContact OD1-NZ 2.83Å; K607-K611 WeakPolarHBondContact O-CG 3.37Å; K607-K611 PolarHBondContact O-N 3.45Å; V608-K611 PolarHBondContact O-N 2.86Å; L609-K611 VanDerWaalsContact C-N 3.28Å; L609-K611 PolarHBondContact O-N 2.95Å; K611-Y615 WeakPolarHBondContact O-CB 3.49Å; K611-Y615 PolarHBondContact O-N 2.94Å; K611-Y615 VanDerWaalsContact O-N 3.11Å
612	L	95.6	Very high	94.4	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-67	-44.4	174.3	-56.1	-175.8	0	0	0	112	I521 A524 A525 I528 I557 L558 I561 V608 L609 D610 Y615 L616	I521-L612 HydrophobicContact CG2-CD1 4.05Å; A524-L612 HydrophobicContact CB-CB 3.99Å; A524-L612 HydrophobicContact CB-CD1 3.97Å; A525-L612 HydrophobicContact CB-CD1 4.49Å; I528-L612 HydrophobicContact CD1-CB 3.78Å; I528-L612 HydrophobicContact CD1-CD2 3.71Å; I528-L612 HydrophobicContact CD1-CG 4.23Å; I557-L612 HydrophobicContact CB-CD2 4.3Å; I557-L612 HydrophobicContact CD1-CD2 4.09Å; I557-L612 HydrophobicContact CG1-CD2 3.82Å; L558-L612 HydrophobicContact CD2-CD2 3.98Å; I561-L612 HydrophobicContact CD1-CD1 4.08Å; I561-L612 HydrophobicContact CD1-CD2 4.41Å; I561-L612 HydrophobicContact CG1-CD1 4.4Å; V608-L612 PolarHBondContact O-N 3.16Å; L609-L612 WeakPolarHBondContact O-CA 3.3Å; L609-L612 WeakPolarHBondContact O-CB 3.37Å; L609-L612 PolarHBondContact O-N 3.36Å; D610-L612 PolarHBondContact O-N 2.79Å; L612-Y615 WeakPolarHBondContact O-CB 3.41Å; L612-Y615 PolarHBondContact O-N 3.13Å; L612-L616 WeakPolarHBondContact O-CG 3.34Å; L612-L616 PolarHBondContact O-N 3.35Å
613	L	96.2	Very high	94.7	Very high	6 Å²	6	23.6 Å²	23.6	3%	0.031	11%	0.108	C	C	.	.	H	α-helix	trans	-68.7	-37.1	-178.7	-59.9	-163.6	0	0	0	112	L238 A524 L609 D610 L616 R617 Y624 Y625	L238-L613 HydrophobicContact CD1-CB 3.7Å; L238-L613 HydrophobicContact CD1-CD1 4.19Å; L238-L613 HydrophobicContact CD1-CG 4.5Å; A524-L613 HydrophobicContact CB-CD2 3.9Å; L609-L613 HydrophobicContact CD1-CD1 4.15Å; L609-L613 HydrophobicContact CD1-CD2 3.8Å; L609-L613 HydrophobicContact CD1-CG 3.8Å; L609-L613 HydrophobicContact CG-CD1 4.03Å; L609-L613 HydrophobicContact CG-CG 4.01Å; L609-L613 WeakPolarHBondContact O-CG 3.38Å; L609-L613 PolarHBondContact O-N 2.83Å; D610-L613 PolarHBondContact O-N 2.91Å; L613-L616 HydrophobicContact CD2-CD1 4.31Å; L613-L616 PolarHBondContact O-N 3.43Å; L613-R617 VanDerWaalsContact O-CB 3.29Å; L613-R617 WeakPolarHBondContact O-CB 3.39Å; L613-R617 PolarHBondContact O-N 3.48Å; L613-Y624 HydrophobicContact CD1-CD1 3.86Å; L613-Y624 HydrophobicContact CD1-CG 4.33Å; L613-Y624 HydrophobicContact CD2-CD1 3.59Å; L613-Y624 HydrophobicContact CD2-CD2 3.74Å; L613-Y624 HydrophobicContact CD2-CE1 4.14Å; L613-Y624 HydrophobicContact CD2-CE2 4.26Å; L613-Y624 HydrophobicContact CD2-CG 3.38Å; L613-Y624 HydrophobicContact CG-CD1 4.39Å; L613-Y624 HydrophobicContact CG-CG 4.45Å; L613-Y625 HydrophobicContact CD1-CD2 4.06Å; L613-Y625 HydrophobicContact CD1-CE1 4.42Å; L613-Y625 HydrophobicContact CD1-CE2 3.43Å; L613-Y625 VanDerWaalsContact CD1-CE2 3.43Å
614	L	95.3	Very high	95	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.016	9%	0.089	C	C	.	.	H	α-helix	trans	-65.2	-40.5	173	-73.2	171.6	0	0	0	112	F224 F233 L236 L238 M249 D610 R617 I618	F224-L614 HydrophobicContact CE2-CB 4.22Å; F233-L614 HydrophobicContact CD1-CD1 3.73Å; F233-L614 HydrophobicContact CE1-CD1 4.13Å; F233-L614 HydrophobicContact CG-CD1 4.32Å; L236-L614 HydrophobicContact CD2-CD1 4.08Å; L238-L614 HydrophobicContact CD1-CG 4.36Å; L238-L614 HydrophobicContact CD2-CD2 4Å; L238-L614 HydrophobicContact CD2-CG 4.42Å; M249-L614 HydrophobicContact CE-CD2 3.35Å; M249-L614 HydrophobicContact SD-CD2 4.42Å; D610-L614 VanDerWaalsContact O-CB 3.27Å; D610-L614 WeakPolarHBondContact O-CB 3.18Å; D610-L614 WeakPolarHBondContact O-CD1 3.46Å; D610-L614 WeakPolarHBondContact O-CG 3.37Å; D610-L614 PolarHBondContact O-N 2.73Å; L614-R617 PolarHBondContact O-N 3.26Å; L614-I618 HydrophobicContact CB-CD1 4.48Å; L614-I618 WeakPolarHBondContact O-CB 3.09Å; L614-I618 WeakPolarHBondContact O-CG1 3.46Å; L614-I618 PolarHBondContact O-N 3.19Å
615	Y	95.9	Very high	95.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-59.9	-53	173.2	-179.1	-89.8	0	0	0	111.4	L221 F224 I528 D532 L537 W538 N555 I557 K611 L612 R617 I618 V619 H620	L221-Y615 HydrophobicContact CD1-CE2 3.64Å; F224-Y615 AromaticContact CD1-CD2 3.77Å; F224-Y615 HydrophobicContact CD1-CD2 3.77Å; F224-Y615 HydrophobicContact CD1-CE2 4.38Å; F224-Y615 AromaticContact CE1-CD2 3.67Å; F224-Y615 HydrophobicContact CE1-CD2 3.67Å; F224-Y615 HydrophobicContact CE2-CD2 4.41Å; F224-Y615 HydrophobicContact CG-CD2 4.21Å; F224-Y615 HydrophobicContact CZ-CD2 4Å; F224-Y615 HydrophobicContact CZ-CG 4.45Å; I528-Y615 HydrophobicContact CD1-CD1 4.15Å; I528-Y615 HydrophobicContact CG1-CD1 3.93Å; I528-Y615 HydrophobicContact CG1-CE1 4.38Å; I528-Y615 HydrophobicContact CG2-CD1 4.01Å; I528-Y615 HydrophobicContact CG2-CE1 3.71Å; D532-Y615 WeakPolarHBondContact OD1-CE1 3.47Å; D532-Y615 PolarHBondContact OD1-OH 3.2Å; D532-Y615 PolarHBondContact OD2-OH 3.45Å; L537-Y615 WeakPolarHBondContact CD2-OH 3.28Å; W538-Y615 PolarHBondContact NE1-OH 3.39Å; N555-Y615 PolarHBondContact ND2-OH 2.99Å; I557-Y615 HydrophobicContact CD1-CD1 3.87Å; I557-Y615 HydrophobicContact CD1-CD2 3.51Å; I557-Y615 HydrophobicContact CD1-CE2 4.23Å; I557-Y615 HydrophobicContact CD1-CG 3.29Å; K611-Y615 WeakPolarHBondContact O-CB 3.49Å; K611-Y615 PolarHBondContact O-N 2.94Å; K611-Y615 VanDerWaalsContact O-N 3.11Å; L612-Y615 WeakPolarHBondContact O-CB 3.41Å; L612-Y615 PolarHBondContact O-N 3.13Å; Y615-R617 PolarHBondContact O-N 3.28Å; Y615-I618 PolarHBondContact O-N 2.67Å; Y615-V619 HydrophobicContact CD2-CB 4.49Å; Y615-V619 HydrophobicContact CD2-CG2 3.75Å; Y615-V619 HydrophobicContact CE1-CB 4.35Å; Y615-V619 HydrophobicContact CE2-CB 4.31Å; Y615-V619 HydrophobicContact CE2-CG1 4.47Å; Y615-V619 HydrophobicContact CE2-CG2 3.72Å; Y615-V619 HydrophobicContact CG-CG2 4.23Å; Y615-V619 VanDerWaalsContact O-CB 3.25Å; Y615-V619 WeakPolarHBondContact O-CB 3.29Å; Y615-V619 PolarHBondContact O-N 3.31Å; Y615-H620 AromaticContact CE1-CD2 3.6Å; Y615-H620 AromaticContact CE1-NE2 3.62Å
616	L	96.1	Very high	95.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-54.5	-40.8	176.8	-76	172.6	0	0	0	111.9	A524 L527 I528 L531 L612 L613 H620 S621 L622 Y624	A524-L616 HydrophobicContact CB-CD1 4.04Å; L527-L616 HydrophobicContact CB-CD1 4.27Å; L527-L616 HydrophobicContact CB-CD2 4.08Å; L527-L616 HydrophobicContact CD1-CD1 4.36Å; I528-L616 HydrophobicContact CD1-CG 4.17Å; I528-L616 HydrophobicContact CG1-CD1 4.21Å; I528-L616 HydrophobicContact CG1-CD2 3.55Å; I528-L616 HydrophobicContact CG1-CG 3.68Å; L531-L616 HydrophobicContact CD1-CD2 3.71Å; L612-L616 WeakPolarHBondContact O-CG 3.34Å; L612-L616 PolarHBondContact O-N 3.35Å; L613-L616 HydrophobicContact CD2-CD1 4.31Å; L613-L616 PolarHBondContact O-N 3.43Å; L616-H620 CarbonylContact O-C 3.58Å; L616-H620 WeakPolarHBondContact O-CA 3.45Å; L616-H620 PolarHBondContact O-N 3.15Å; L616-S621 PolarHBondContact O-N 2.62Å; L616-L622 HydrophobicContact CB-CB 4.3Å; L616-L622 HydrophobicContact CB-CD2 4.39Å; L616-L622 HydrophobicContact CD1-CD2 4.27Å; L616-L622 HydrophobicContact CD2-CD2 3.91Å; L616-L622 HydrophobicContact CG-CD2 4.42Å; L616-L622 PolarHBondContact O-N 3.02Å; L616-Y624 HydrophobicContact CD1-CD2 4.26Å
617	R	96.5	Very high	95.4	Very high	3 Å²	3	16.2 Å²	16.2	1%	0.011	8%	0.08	C	C	.	.	H	α-helix	trans	-77.5	-42.1	-176.7	-174.1	63.3	-166.5	88	-8.7	114.2	L613 L614 Y615 S621 L622 E633 I642 I643	L613-R617 VanDerWaalsContact O-CB 3.29Å; L613-R617 WeakPolarHBondContact O-CB 3.39Å; L613-R617 PolarHBondContact O-N 3.48Å; L614-R617 PolarHBondContact O-N 3.26Å; Y615-R617 PolarHBondContact O-N 3.28Å; R617-S621 WeakPolarHBondContact O-CA 3.39Å; R617-L622 VanDerWaalsContact CA-O 3.27Å; R617-L622 WeakPolarHBondContact CA-O 3.45Å; R617-L622 WeakPolarHBondContact CD-O 3.42Å; R617-L622 PolarHBondContact N-O 2.95Å; R617-E633 IonicContact CZ-OE1 2.91Å; R617-E633 IonicContact CZ-OE2 2.75Å; R617-E633 IonicContact NH1-OE1 3.98Å; R617-E633 IonicContact NH1-OE2 2.85Å; R617-E633 PolarHBondContact NH1-OE2 3.19Å; R617-E633 IonicContact NH2-OE1 3.74Å; R617-E633 PolarHBondContact NH2-OE1 3.4Å; R617-E633 IonicContact NH2-OE2 2.7Å; R617-E633 PolarHBondContact NH2-OE2 3.42Å; R617-I642 VanDerWaalsContact CZ-O 3.29Å; R617-I642 PolarHBondContact NE-O 3.34Å; R617-I642 PolarHBondContact NH2-O 2.88Å; R617-I643 HydrophobicContact CG-CD1 4.07Å; R617-I643 HydrophobicContact CG-CG1 4.22Å
618	I	94.7	Very high	95.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-80.7	-48.5	-176.7	-65.1	167	0	0	0	110.1	R220 F224 F233 M249 L250 A253 L614 Y615	R220-I618 WeakPolarHBondContact CD-O 3.42Å; R220-I618 PolarHBondContact NH1-O 2.92Å; F224-I618 HydrophobicContact CB-CG2 4.32Å; F224-I618 HydrophobicContact CD2-CB 4.37Å; F224-I618 HydrophobicContact CD2-CD1 4.12Å; F233-I618 HydrophobicContact CE1-CD1 4.33Å; F233-I618 HydrophobicContact CZ-CD1 4.28Å; M249-I618 HydrophobicContact CE-CD1 4.46Å; M249-I618 HydrophobicContact SD-CD1 3.86Å; L250-I618 HydrophobicContact CD2-CG1 4.44Å; A253-I618 HydrophobicContact CB-CG2 4.45Å; L614-I618 HydrophobicContact CB-CD1 4.48Å; L614-I618 WeakPolarHBondContact O-CB 3.09Å; L614-I618 WeakPolarHBondContact O-CG1 3.46Å; L614-I618 PolarHBondContact O-N 3.19Å; Y615-I618 PolarHBondContact O-N 2.67Å
619	V	94.6	Very high	95.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-61.3	-176.9	-173.8	0	0	0	0	110.7	L217 R220 L221 F224 L537 Y615	L217-V619 WeakPolarHBondContact CD2-O 3.23Å; R220-V619 WeakPolarHBondContact CD-O 3.46Å; L221-V619 HydrophobicContact CB-CG1 4.29Å; L221-V619 HydrophobicContact CD1-CG2 4.39Å; F224-V619 HydrophobicContact CB-CG2 3.83Å; F224-V619 HydrophobicContact CG-CG2 4.1Å; L537-V619 HydrophobicContact CD2-CG1 3.62Å; Y615-V619 HydrophobicContact CD2-CB 4.49Å; Y615-V619 HydrophobicContact CD2-CG2 3.75Å; Y615-V619 HydrophobicContact CE1-CB 4.35Å; Y615-V619 HydrophobicContact CE2-CB 4.31Å; Y615-V619 HydrophobicContact CE2-CG1 4.47Å; Y615-V619 HydrophobicContact CE2-CG2 3.72Å; Y615-V619 HydrophobicContact CG-CG2 4.23Å; Y615-V619 VanDerWaalsContact O-CB 3.25Å; Y615-V619 WeakPolarHBondContact O-CB 3.29Å; Y615-V619 PolarHBondContact O-N 3.31Å
620	H	93.9	Very high	95.3	Very high	12 Å²	12	17.7 Å²	17.7	6%	0.056	9%	0.088	C	C	.	.	S	Bend	trans	-92.6	5.4	-171.3	-67.6	-65.9	0	0	0	115.1	L531 D532 Y615 L616 L622	L531-H620 HydrophobicContact CD1-CB 4.04Å; D532-H620 IonicContact OD1-CD2 3.58Å; D532-H620 IonicContact OD1-CE1 3.33Å; D532-H620 IonicContact OD1-NE2 2.65Å; D532-H620 PolarHBondContact OD1-NE2 3.49Å; Y615-H620 AromaticContact CE1-CD2 3.6Å; Y615-H620 AromaticContact CE1-NE2 3.62Å; L616-H620 CarbonylContact O-C 3.58Å; L616-H620 WeakPolarHBondContact O-CA 3.45Å; L616-H620 PolarHBondContact O-N 3.15Å; H620-L622 PolarHBondContact O-N 2.97Å; H620-L622 VanDerWaalsContact O-N 3.16Å
621	S	95.4	Very high	94.9	Very high	8 Å²	8	21.8 Å²	21.8	6%	0.056	11%	0.114	C	C	.	.			trans	55.7	26.1	-177	-47.2	0	0	0	0	114.5	R220 L616 R617 Y630	R220-S621 PolarHBondContact NH1-OG 3.49Å; L616-S621 PolarHBondContact O-N 2.62Å; R617-S621 WeakPolarHBondContact O-CA 3.39Å; S621-Y630 VanDerWaalsContact CB-O 3.28Å; S621-Y630 WeakPolarHBondContact CB-O 3.3Å; S621-Y630 PolarHBondContact O-N 3.02Å
622	L	96	Very high	94.7	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.016	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	122.4	-176.7	-169.1	78.9	0	0	0	111.1	L527 L531 L616 R617 H620 Y624 E629 L673	L527-L622 HydrophobicContact CD1-CD2 4.14Å; L527-L622 HydrophobicContact CD2-CD2 4.1Å; L531-L622 HydrophobicContact CD1-CD2 4.22Å; L616-L622 HydrophobicContact CB-CB 4.3Å; L616-L622 HydrophobicContact CB-CD2 4.39Å; L616-L622 HydrophobicContact CD1-CD2 4.27Å; L616-L622 HydrophobicContact CD2-CD2 3.91Å; L616-L622 HydrophobicContact CG-CD2 4.42Å; L616-L622 PolarHBondContact O-N 3.02Å; R617-L622 VanDerWaalsContact CA-O 3.27Å; R617-L622 WeakPolarHBondContact CA-O 3.45Å; R617-L622 WeakPolarHBondContact CD-O 3.42Å; R617-L622 PolarHBondContact N-O 2.95Å; H620-L622 PolarHBondContact O-N 2.97Å; H620-L622 VanDerWaalsContact O-N 3.16Å; L622-Y624 PolarHBondContact O-N 3.4Å; L622-E629 HydrophobicContact CD1-CB 4.02Å; L622-E629 HydrophobicContact CD1-CG 4.44Å; L622-L673 HydrophobicContact CD1-CD1 4.04Å
623	D	96.8	Very high	94.6	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.011	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	90.3	175.6	-165.7	-10.5	0	0	0	109.6	Y625 N626 T627 C628 Y630 H644	D623-Y625 PolarHBondContact O-N 3.35Å; D623-N626 HydrophobicContact CB-CB 4.27Å; D623-N626 CarbonylContact O-C 3.52Å; D623-N626 PolarHBondContact O-N 3.47Å; D623-T627 PolarHBondContact O-N 3.18Å; D623-C628 PolarHBondContact N-O 3.34Å; D623-C628 PolarHBondContact O-N 2.89Å; D623-Y630 HydrophobicContact CB-CE2 3.78Å; D623-Y630 PolarHBondContact OD2-OH 2.87Å; D623-H644 PolarHBondContact OD1-N 2.82Å; D623-H644 IonicContact OD1-ND1 3.84Å; D623-H644 IonicContact OD2-CE1 3.55Å; D623-H644 IonicContact OD2-CG 3.34Å; D623-H644 PolarHBondContact OD2-N 3.14Å; D623-H644 IonicContact OD2-ND1 2.7Å; D623-H644 PolarHBondContact OD2-ND1 3.32Å
624	Y	97.1	Very high	94.3	Very high	6 Å²	6	24.4 Å²	24.4	2%	0.024	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-52.9	-55.9	-169.9	-179.2	-95.8	0	0	0	112.9	D520 L523 A524 L527 L613 L616 L622 N626 T627 F666 L670	D520-Y624 VanDerWaalsContact CA-OH 3.28Å; D520-Y624 WeakPolarHBondContact CA-OH 3.42Å; D520-Y624 HydrophobicContact CB-CE1 4.03Å; D520-Y624 WeakPolarHBondContact CB-OH 3.37Å; D520-Y624 VanDerWaalsContact CG-OH 3.25Å; D520-Y624 PolarHBondContact OD1-OH 3.38Å; L523-Y624 HydrophobicContact CB-CE2 4.48Å; A524-Y624 HydrophobicContact CB-CE2 4.17Å; L527-Y624 HydrophobicContact CD1-CD2 3.85Å; L527-Y624 HydrophobicContact CD1-CE2 3.81Å; L613-Y624 HydrophobicContact CD1-CD1 3.86Å; L613-Y624 HydrophobicContact CD1-CG 4.33Å; L613-Y624 HydrophobicContact CD2-CD1 3.59Å; L613-Y624 HydrophobicContact CD2-CD2 3.74Å; L613-Y624 HydrophobicContact CD2-CE1 4.14Å; L613-Y624 HydrophobicContact CD2-CE2 4.26Å; L613-Y624 HydrophobicContact CD2-CG 3.38Å; L613-Y624 HydrophobicContact CG-CD1 4.39Å; L613-Y624 HydrophobicContact CG-CG 4.45Å; L616-Y624 HydrophobicContact CD1-CD2 4.26Å; L622-Y624 PolarHBondContact O-N 3.4Å; Y624-N626 PolarHBondContact O-N 3.03Å; Y624-T627 WeakPolarHBondContact O-CA 3.49Å; Y624-T627 WeakPolarHBondContact O-CG2 3.4Å; Y624-T627 PolarHBondContact O-N 3.39Å; Y624-F666 HydrophobicContact CD1-CE1 4.18Å; Y624-F666 AromaticContact CD1-CZ 3.93Å; Y624-F666 HydrophobicContact CD1-CZ 3.93Å; Y624-F666 AromaticContact CE1-CE1 3.49Å; Y624-F666 HydrophobicContact CE1-CE1 3.49Å; Y624-F666 VanDerWaalsContact CE1-CE1 3.49Å; Y624-F666 AromaticContact CE1-CZ 3.64Å; Y624-F666 HydrophobicContact CE1-CZ 3.64Å; Y624-F666 HydrophobicContact CE2-CE1 4.16Å; Y624-F666 AromaticContact CZ-CE1 3.46Å; Y624-F666 VanDerWaalsContact CZ-CE1 3.46Å; Y624-F666 WeakPolarHBondContact O-CZ 3.23Å; Y624-F666 WeakPolarHBondContact OH-CE1 3.46Å; Y624-L670 HydrophobicContact CE2-CD1 3.82Å
625	Y	96.7	Very high	94.1	Very high	9 Å²	9	26.5 Å²	26.5	4%	0.035	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-68.8	-17.9	-175.8	-74.7	-49.5	0	0	0	114.2	I507 T511 L613 D623 R646 F666	I507-Y625 HydrophobicContact CD1-CD1 3.44Å; I507-Y625 VanDerWaalsContact CD1-CD1 3.44Å; I507-Y625 HydrophobicContact CD1-CE1 4.19Å; I507-Y625 HydrophobicContact CD1-CG 3.68Å; I507-Y625 HydrophobicContact CG1-CD1 4.44Å; I507-Y625 HydrophobicContact CG1-CG 4.25Å; T511-Y625 HydrophobicContact CG2-CD1 4.44Å; T511-Y625 HydrophobicContact CG2-CE1 4.19Å; L613-Y625 HydrophobicContact CD1-CD2 4.06Å; L613-Y625 HydrophobicContact CD1-CE1 4.42Å; L613-Y625 HydrophobicContact CD1-CE2 3.43Å; L613-Y625 VanDerWaalsContact CD1-CE2 3.43Å; D623-Y625 PolarHBondContact O-N 3.35Å; Y625-R646 HydrophobicContact CE2-CG 3.85Å; Y625-R646 WeakPolarHBondContact OH-CD 3.47Å; Y625-R646 WeakPolarHBondContact OH-CG 3.38Å; Y625-F666 HydrophobicContact CD1-CZ 4.31Å
626	N	96.2	Very high	94	Very high	64 Å²	64	29 Å²	29	34%	0.342	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-94.6	-6.3	170.7	-161.6	46.2	0	0	0	113.3	D623 Y624 C628 H644	D623-N626 HydrophobicContact CB-CB 4.27Å; D623-N626 CarbonylContact O-C 3.52Å; D623-N626 PolarHBondContact O-N 3.47Å; Y624-N626 PolarHBondContact O-N 3.03Å; N626-C628 PolarHBondContact ND2-SG 2.93Å; N626-C628 PolarHBondContact O-N 3.49Å; N626-H644 HydrophobicContact CB-CB 4.16Å; N626-H644 WeakPolarHBondContact CB-ND1 3.34Å; N626-H644 VanDerWaalsContact CG-CE1 3.45Å
627	T	95	Very high	93.9	Very high	30 Å²	30	29.2 Å²	29.2	18%	0.184	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	47.4	-177.6	59.6	0	0	0	0	113	D623 Y624 F666 K669 L670	D623-T627 PolarHBondContact O-N 3.18Å; Y624-T627 WeakPolarHBondContact O-CA 3.49Å; Y624-T627 WeakPolarHBondContact O-CG2 3.4Å; Y624-T627 PolarHBondContact O-N 3.39Å; T627-F666 HydrophobicContact CG2-CD2 4.24Å; T627-F666 HydrophobicContact CG2-CE1 4.26Å; T627-F666 HydrophobicContact CG2-CE2 3.73Å; T627-F666 HydrophobicContact CG2-CZ 3.75Å; T627-K669 HydrophobicContact CG2-CB 3.87Å; T627-L670 HydrophobicContact CG2-CD2 3.73Å; T627-L670 HydrophobicContact CG2-CG 4.03Å
628	C	93.6	Very high	93.7	Very high	30 Å²	30	31 Å²	31	20%	0.203	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	151.8	178.3	73	0	0	0	0	114.8	D623 N626	D623-C628 PolarHBondContact N-O 3.34Å; D623-C628 PolarHBondContact O-N 2.89Å; N626-C628 PolarHBondContact ND2-SG 2.93Å; N626-C628 PolarHBondContact O-N 3.49Å
629	E	92.4	Very high	93.4	Very high	70 Å²	70	31.7 Å²	31.7	33%	0.327	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	143.7	173.7	-166.8	-179.9	145.7	0	0	110.9	R534 L622 P631	R534-E629 IonicContact NH2-OE1 2.71Å; R534-E629 IonicContact NH2-OE2 3.72Å; R534-E629 PolarHBondContact NH2-OE2 2.92Å; L622-E629 HydrophobicContact CD1-CB 4.02Å; L622-E629 HydrophobicContact CD1-CG 4.44Å; E629-P631 VanDerWaalsContact C-CD 3.47Å; E629-P631 VanDerWaalsContact O-CD 3.23Å; E629-P631 WeakPolarHBondContact O-CD 3.45Å
630	Y	93.3	Very high	93.3	Very high	54 Å²	54	31.7 Å²	31.7	21%	0.212	17%	0.167	C	C	.	.			trans	-109.5	75.4	170.7	-56.6	-54.8	0	0	0	110.6	S621 D623 N632 E633	S621-Y630 VanDerWaalsContact CB-O 3.28Å; S621-Y630 WeakPolarHBondContact CB-O 3.3Å; S621-Y630 PolarHBondContact O-N 3.02Å; D623-Y630 HydrophobicContact CB-CE2 3.78Å; D623-Y630 PolarHBondContact OD2-OH 2.87Å; Y630-N632 PolarHBondContact O-N 3.44Å; Y630-E633 VanDerWaalsContact O-CB 3.3Å; Y630-E633 WeakPolarHBondContact O-CB 3.32Å; Y630-E633 PolarHBondContact O-N 3Å; Y630-E633 VanDerWaalsContact O-N 3.16Å
631	P	88.6	Confident	93.2	Very high	90 Å²	90	31.3 Å²	31.3	58%	0.584	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-35.1	-165.6	24	-35.3	0	0	0	114.6	E629	E629-P631 VanDerWaalsContact C-CD 3.47Å; E629-P631 VanDerWaalsContact O-CD 3.23Å; E629-P631 WeakPolarHBondContact O-CD 3.45Å
632	N	89.9	Confident	93.2	Very high	67 Å²	67	32.1 Å²	32.1	36%	0.358	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	14.6	180	-66	82.4	0	0	0	113.4	Y630 D634 E635 M636	Y630-N632 PolarHBondContact O-N 3.44Å; N632-D634 PolarHBondContact O-N 3.15Å; N632-D634 VanDerWaalsContact O-N 3.08Å; N632-E635 PolarHBondContact O-N 2.88Å; N632-M636 HydrophobicContact CB-CG 4.49Å; N632-M636 VanDerWaalsContact O-CG 3.27Å; N632-M636 WeakPolarHBondContact O-CG 3.37Å; N632-M636 PolarHBondContact O-N 3.35Å; N632-M636 VanDerWaalsContact O-N 3.16Å
633	E	91.7	Very high	93.2	Very high	14 Å²	14	32.2 Å²	32.2	7%	0.065	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.5	-173	-154.8	178.3	-155.1	0	0	113.1	R617 Y630 E635 M636 N638 R639 C640 G641	R617-E633 IonicContact CZ-OE1 2.91Å; R617-E633 IonicContact CZ-OE2 2.75Å; R617-E633 IonicContact NH1-OE1 3.98Å; R617-E633 IonicContact NH1-OE2 2.85Å; R617-E633 PolarHBondContact NH1-OE2 3.19Å; R617-E633 IonicContact NH2-OE1 3.74Å; R617-E633 PolarHBondContact NH2-OE1 3.4Å; R617-E633 IonicContact NH2-OE2 2.7Å; R617-E633 PolarHBondContact NH2-OE2 3.42Å; Y630-E633 VanDerWaalsContact O-CB 3.3Å; Y630-E633 WeakPolarHBondContact O-CB 3.32Å; Y630-E633 PolarHBondContact O-N 3Å; Y630-E633 VanDerWaalsContact O-N 3.16Å; E633-E635 VanDerWaalsContact C-N 3.34Å; E633-E635 PolarHBondContact O-N 3.44Å; E633-M636 PolarHBondContact O-N 3.21Å; E633-N638 WeakPolarHBondContact CG-O 3.39Å; E633-R639 VanDerWaalsContact CG-O 3.24Å; E633-R639 WeakPolarHBondContact CG-O 3.14Å; E633-C640 WeakPolarHBondContact OE1-CA 3.45Å; E633-G641 PolarHBondContact OE1-N 2.68Å
634	D	90.9	Very high	93.2	Very high	47 Å²	47	32.9 Å²	32.9	25%	0.251	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-29.2	177.1	-133.7	55	0	0	0	114.4	R220 N632 R639	R220-D634 IonicContact CZ-OD1 2.67Å; R220-D634 IonicContact NE-OD1 2.83Å; R220-D634 PolarHBondContact NE-OD1 2.9Å; R220-D634 IonicContact NH2-OD1 3.9Å; R220-D634 PolarHBondContact NH2-OD1 3.05Å; N632-D634 PolarHBondContact O-N 3.15Å; N632-D634 VanDerWaalsContact O-N 3.08Å; D634-R639 VanDerWaalsContact CG-NE 3.33Å; D634-R639 WeakPolarHBondContact O-CD 3.34Å; D634-R639 PolarHBondContact O-NE 3.48Å; D634-R639 IonicContact OD1-CZ 2.69Å; D634-R639 IonicContact OD1-NE 2.65Å; D634-R639 PolarHBondContact OD1-NE 2.98Å; D634-R639 IonicContact OD1-NH2 3.37Å; D634-R639 PolarHBondContact OD1-NH2 3.48Å; D634-R639 IonicContact OD2-CZ 2.71Å; D634-R639 IonicContact OD2-NE 3.5Å; D634-R639 IonicContact OD2-NH2 3.3Å; D634-R639 PolarHBondContact OD2-NH2 2.75Å
635	E	91.6	Very high	93.2	Very high	47 Å²	47	32.6 Å²	32.6	22%	0.22	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-30.9	174.6	-56.7	-167.1	126.1	0	0	111.9	R434 R449 A451 N632 E633	R434-E635 IonicContact CZ-OE1 3.93Å; R434-E635 IonicContact NE-OE1 3.19Å; R434-E635 PolarHBondContact NE-OE1 3.09Å; R434-E635 IonicContact NH1-OE1 3.19Å; R434-E635 IonicContact NH2-OE1 3.82Å; R434-E635 PolarHBondContact NH2-OE1 2.98Å; R449-E635 PolarHBondContact NH1-O 2.8Å; A451-E635 HydrophobicContact CB-CB 3.59Å; N632-E635 PolarHBondContact O-N 2.88Å; E633-E635 VanDerWaalsContact C-N 3.34Å; E633-E635 PolarHBondContact O-N 3.44Å
636	M	93.9	Very high	93.1	Very high	52 Å²	52	32.2 Å²	32.2	26%	0.256	17%	0.171	S	C	.	.	S	Bend	trans	-67.1	149	-174.1	-73.6	-70.9	-72.9	0	0	112.8	R449 A451 W466 N632 E633 N638	R449-M636 PolarHBondContact NH1-O 2.71Å; A451-M636 HydrophobicContact CB-CG 4.2Å; A451-M636 HydrophobicContact CB-SD 3.78Å; W466-M636 HydrophobicContact CB-SD 4.38Å; W466-M636 HydrophobicContact CD2-CE 3.69Å; W466-M636 HydrophobicContact CD2-SD 3.7Å; W466-M636 HydrophobicContact CE3-CE 3.94Å; W466-M636 HydrophobicContact CE3-SD 3.51Å; W466-M636 VanDerWaalsContact CE3-SD 3.51Å; W466-M636 HydrophobicContact CG-CE 4.14Å; W466-M636 HydrophobicContact CG-SD 4.09Å; W466-M636 HydrophobicContact CH2-CE 4.3Å; W466-M636 HydrophobicContact CZ2-CE 4.08Å; W466-M636 HydrophobicContact CZ3-CE 4.24Å; W466-M636 HydrophobicContact CZ3-SD 4.03Å; N632-M636 HydrophobicContact CB-CG 4.49Å; N632-M636 VanDerWaalsContact O-CG 3.27Å; N632-M636 WeakPolarHBondContact O-CG 3.37Å; N632-M636 PolarHBondContact O-N 3.35Å; N632-M636 VanDerWaalsContact O-N 3.16Å; E633-M636 PolarHBondContact O-N 3.21Å; M636-N638 VanDerWaalsContact C-N 3.26Å; M636-N638 CarbonylContact O-C 3.54Å; M636-N638 PolarHBondContact O-N 3.25Å
637	P	93.4	Very high	93	Very high	6 Å²	6	29.2 Å²	29.2	4%	0.039	16%	0.155	C	C	.	.	S	Bend	trans	-49.9	-40.3	-170.7	-29.8	33.5	0	0	0	115.5	T420 S422 R449 W466 T468	T420-P637 PolarHBondContact OG1-O 3.05Å; S422-P637 VanDerWaalsContact CB-CG 3.49Å; S422-P637 WeakPolarHBondContact OG-CB 3.46Å; S422-P637 WeakPolarHBondContact OG-CG 3.32Å; R449-P637 PolarHBondContact NH2-O 2.89Å; W466-P637 HydrophobicContact CB-CG 3.92Å; W466-P637 HydrophobicContact CG-CG 4.32Å; T468-P637 HydrophobicContact CG2-CB 4.18Å; T468-P637 WeakPolarHBondContact OG1-CA 2.98Å; T468-P637 WeakPolarHBondContact OG1-CG 3.43Å
638	N	92.2	Very high	92.8	Very high	39 Å²	39	31.2 Å²	31.2	21%	0.209	17%	0.169	C	C	.	.	S	Bend	trans	-102	113.4	174.5	-57.5	-73.7	0	0	0	109.8	L500 E633 M636 C640	L500-N638 HydrophobicContact CD1-CB 4.13Å; E633-N638 WeakPolarHBondContact CG-O 3.39Å; M636-N638 VanDerWaalsContact C-N 3.26Å; M636-N638 CarbonylContact O-C 3.54Å; M636-N638 PolarHBondContact O-N 3.25Å; N638-C640 PolarHBondContact O-N 3.48Å
639	R	88.4	Confident	92.4	Very high	15 Å²	15	35.2 Å²	35.2	6%	0.057	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-26.4	-176.1	-60.7	-76.1	-73	-80.9	10.3	114.8	R220 V254 M257 E258 E633 D634	R220-R639 PolarHBondContact NH2-O 2.94Å; V254-R639 HydrophobicContact CG1-CB 4.2Å; V254-R639 HydrophobicContact CG1-CG 4.34Å; V254-R639 HydrophobicContact CG2-CB 4.18Å; M257-R639 HydrophobicContact CE-CB 3.61Å; E258-R639 WeakPolarHBondContact OE1-CD 3.21Å; E258-R639 WeakPolarHBondContact OE1-CG 3.49Å; E258-R639 IonicContact OE1-CZ 3.3Å; E258-R639 IonicContact OE1-NH1 3.57Å; E258-R639 PolarHBondContact OE1-NH1 3.39Å; E258-R639 IonicContact OE2-NH1 2.74Å; E258-R639 PolarHBondContact OE2-NH1 2.9Å; E633-R639 VanDerWaalsContact CG-O 3.24Å; E633-R639 WeakPolarHBondContact CG-O 3.14Å; D634-R639 VanDerWaalsContact CG-NE 3.33Å; D634-R639 WeakPolarHBondContact O-CD 3.34Å; D634-R639 PolarHBondContact O-NE 3.48Å; D634-R639 IonicContact OD1-CZ 2.69Å; D634-R639 IonicContact OD1-NE 2.65Å; D634-R639 PolarHBondContact OD1-NE 2.98Å; D634-R639 IonicContact OD1-NH2 3.37Å; D634-R639 PolarHBondContact OD1-NH2 3.48Å; D634-R639 IonicContact OD2-CZ 2.71Å; D634-R639 IonicContact OD2-NE 3.5Å; D634-R639 IonicContact OD2-NH2 3.3Å; D634-R639 PolarHBondContact OD2-NH2 2.75Å
640	C	92.8	Very high	92.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.3	83.6	168.4	-76.6	0	0	0	0	108.9	L250 V254 M257 R503 E633 N638	L250-C640 HydrophobicContact CD2-CB 4.26Å; V254-C640 HydrophobicContact CG2-CB 3.95Å; M257-C640 HydrophobicContact CE-CB 4.43Å; M257-C640 VanDerWaalsContact CE-SG 3.59Å; R503-C640 PolarHBondContact NH2-O 3.38Å; E633-C640 WeakPolarHBondContact OE1-CA 3.45Å; N638-C640 PolarHBondContact O-N 3.48Å
641	G	90.6	Very high	91.6	Very high	4 Å²	4	36.9 Å²	36.9	4%	0.041	21%	0.209	C	C	.	.			trans	-76.2	-82.6	-171.4	0	0	0	0	0	114.3	R503 E633	R503-G641 WeakPolarHBondContact CB-O 3.38Å; R503-G641 VanDerWaalsContact CG-O 3.29Å; R503-G641 WeakPolarHBondContact CG-O 3.35Å; R503-G641 PolarHBondContact NE-O 2.92Å; E633-G641 PolarHBondContact OE1-N 2.68Å
642	I	95.5	Very high	91.4	Very high	26 Å²	26	38.6 Å²	38.6	13%	0.133	21%	0.213	C	C	.	.			trans	-102	145.5	-173.2	-66.8	150.7	0	0	0	110.2	L500 R503 R617	L500-I642 HydrophobicContact CD1-CG1 4.32Å; L500-I642 HydrophobicContact CD2-CD1 4.32Å; R503-I642 WeakPolarHBondContact O-CA 3.42Å; R617-I642 VanDerWaalsContact CZ-O 3.29Å; R617-I642 PolarHBondContact NE-O 3.34Å; R617-I642 PolarHBondContact NH2-O 2.88Å
643	I	96.6	Very high	91.1	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	138.5	170.2	-169.9	174	0	0	0	109.2	L238 I246 L250 R503 V504 R505 R617 V645	L238-I643 HydrophobicContact CD2-CD1 4.13Å; I246-I643 HydrophobicContact CG2-CD1 4.34Å; I246-I643 HydrophobicContact CG2-CG2 3.93Å; L250-I643 HydrophobicContact CD1-CB 4.22Å; L250-I643 HydrophobicContact CD1-CG2 3.81Å; R503-I643 PolarHBondContact O-N 3.36Å; V504-I643 WeakPolarHBondContact CA-O 3.48Å; V504-I643 HydrophobicContact CG2-CG2 3.96Å; R505-I643 PolarHBondContact N-O 3.35Å; R505-I643 VanDerWaalsContact N-O 3.08Å; R617-I643 HydrophobicContact CG-CD1 4.07Å; R617-I643 HydrophobicContact CG-CG1 4.22Å; I643-V645 HydrophobicContact CG2-CG1 4.38Å
644	H	97.1	Very high	90.7	Very high	17 Å²	17	40.2 Å²	40.2	8%	0.079	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	142.4	170.4	-65.7	69.2	0	0	0	110.7	R505 I507 D623 N626	R505-H644 VanDerWaalsContact CD-NE2 3.34Å; R505-H644 WeakPolarHBondContact CD-NE2 3.42Å; R505-H644 CarbonylContact O-C 3.52Å; R505-H644 VanDerWaalsContact O-CA 3.23Å; R505-H644 WeakPolarHBondContact O-CA 3.46Å; I507-H644 HydrophobicContact CG2-CB 4.15Å; D623-H644 PolarHBondContact OD1-N 2.82Å; D623-H644 IonicContact OD1-ND1 3.84Å; D623-H644 IonicContact OD2-CE1 3.55Å; D623-H644 IonicContact OD2-CG 3.34Å; D623-H644 PolarHBondContact OD2-N 3.14Å; D623-H644 IonicContact OD2-ND1 2.7Å; D623-H644 PolarHBondContact OD2-ND1 3.32Å; N626-H644 HydrophobicContact CB-CB 4.16Å; N626-H644 WeakPolarHBondContact CB-ND1 3.34Å; N626-H644 VanDerWaalsContact CG-CE1 3.45Å
645	V	96.5	Very high	90.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	163.9	-170.7	-60	0	0	0	0	110.9	L238 I240 I246 V504 R505 N506 I507 I643	L238-V645 HydrophobicContact CB-CG1 4.48Å; L238-V645 WeakPolarHBondContact O-CB 3.29Å; I240-V645 HydrophobicContact CB-CG2 4.15Å; I240-V645 HydrophobicContact CD1-CG2 4.04Å; I246-V645 HydrophobicContact CD1-CG1 3.82Å; V504-V645 HydrophobicContact CG1-CB 4.26Å; V504-V645 HydrophobicContact CG1-CG1 3.78Å; V504-V645 HydrophobicContact CG1-CG2 3.41Å; V504-V645 VanDerWaalsContact CG1-CG2 3.41Å; R505-V645 WeakPolarHBondContact O-CG2 3.34Å; R505-V645 PolarHBondContact O-N 2.83Å; N506-V645 WeakPolarHBondContact CA-O 3.27Å; I507-V645 WeakPolarHBondContact CG1-O 3.25Å; I507-V645 PolarHBondContact N-O 3.02Å; I643-V645 HydrophobicContact CG2-CG1 4.38Å
646	R	95.4	Very high	90.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-59.8	139.7	178.4	-73.7	173.5	-89.3	116.2	-1.1	111.1	L238 D239 I240 D610 Y625	L238-R646 VanDerWaalsContact N-NH2 3.2Å; L238-R646 PolarHBondContact O-N 2.99Å; D239-R646 IonicContact OD1-CZ 2.84Å; D239-R646 IonicContact OD1-NH1 2.85Å; D239-R646 PolarHBondContact OD1-NH1 3.19Å; D239-R646 IonicContact OD2-CZ 2.94Å; D239-R646 IonicContact OD2-NH1 3.69Å; D239-R646 PolarHBondContact OD2-NH1 3.21Å; I240-R646 PolarHBondContact N-O 2.85Å; D610-R646 IonicContact OD1-CZ 2.87Å; D610-R646 IonicContact OD1-NE 3.55Å; D610-R646 IonicContact OD1-NH2 2.94Å; D610-R646 PolarHBondContact OD1-NH2 3.46Å; D610-R646 IonicContact OD2-NH2 3.33Å; D610-R646 PolarHBondContact OD2-NH2 3.31Å; Y625-R646 HydrophobicContact CE2-CG 3.85Å; Y625-R646 WeakPolarHBondContact OH-CD 3.47Å; Y625-R646 WeakPolarHBondContact OH-CG 3.38Å
647	G	93.3	Very high	90	Very high	2 Å²	2	41 Å²	41	2%	0.021	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-77.1	167.3	178.7	0	0	0	0	0	113.2	I507 Q512	I507-G647 VanDerWaalsContact O-CA 3.27Å; I507-G647 WeakPolarHBondContact O-CA 3.47Å; Q512-G647 PolarHBondContact NE2-O 3.24Å; Q512-G647 VanDerWaalsContact NE2-O 3.13Å
648	P	90.9	Very high	89.8	Confident	72 Å²	72	45.1 Å²	45.1	47%	0.468	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-59.7	151.8	172.1	30.3	-35.5	0	0	0	110	G509	G509-P648 WeakPolarHBondContact CA-O 3.2Å
649	M	86	Confident	89.7	Confident	114 Å²	114	43.3 Å²	43.3	56%	0.562	24%	0.24	S	C	*	.	P	Polyproline II helix	trans	-55.6	128	-178.5	-167.4	165.5	167.3	0	0	111	V599	V599-M649 HydrophobicContact CB-CE 3.91Å; V599-M649 HydrophobicContact CB-CG 4.41Å; V599-M649 HydrophobicContact CG2-CE 4.38Å; V599-M649 HydrophobicContact CG2-CG 4.41Å
650	P	86.9	Confident	89.9	Confident	29 Å²	29	46.8 Å²	46.8	19%	0.188	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-54	134	177.1	-29.1	36.2	0	0	0	111.6	I510 V599 N652 I654	I510-P650 HydrophobicContact CG1-CG 4.03Å; V599-P650 HydrophobicContact CG2-CG 4.43Å; P650-N652 VanDerWaalsContact C-N 3.27Å; P650-N652 PolarHBondContact O-N 2.87Å; P650-I654 HydrophobicContact CG-CD1 4.26Å
651	P	82.1	Confident	90	Very high	129 Å²	129	53 Å²	53	84%	0.838	29%	0.288	S	S	*	.	S	Bend	trans	-75	-18.6	-178.1	30.4	-36	0	0	0	113.2
652	N	84.4	Confident	90.2	Very high	126 Å²	126	55.2 Å²	55.2	67%	0.674	30%	0.295	S	S	*	.	S	Bend	trans	-105.6	157.4	179.1	-61.6	-7.1	0	0	0	109.9	P650	P650-N652 VanDerWaalsContact C-N 3.27Å; P650-N652 PolarHBondContact O-N 2.87Å
653	R	83.6	Confident	90.2	Very high	111 Å²	111	55.8 Å²	55.8	42%	0.419	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-60.7	144.3	167.1	-60.7	-173.1	179.3	143.8	-3.6	110	E591 E596 N598	E591-R653 PolarHBondContact O-NH1 3.01Å; E591-R653 VanDerWaalsContact O-NH1 3.1Å; E596-R653 HydrophobicContact CB-CB 3.95Å; E596-R653 HydrophobicContact CG-CB 4.42Å; E596-R653 WeakPolarHBondContact OE2-CD 3.33Å; E596-R653 IonicContact OE2-NH1 3.42Å; E596-R653 PolarHBondContact OE2-NH1 3.05Å; N598-R653 WeakPolarHBondContact OD1-CG 3.24Å; N598-R653 PolarHBondContact OD1-NE 3.21Å
654	I	82.8	Confident	90.2	Very high	4 Å²	4	63 Å²	63	2%	0.021	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	138.2	179.5	-54.8	172.8	0	0	0	108.2	I510 I597 V599 P650 E658 V659	I510-I654 HydrophobicContact CB-CD1 4.06Å; I510-I654 HydrophobicContact CD1-CG2 4.26Å; I510-I654 HydrophobicContact CG1-CD1 3.79Å; I510-I654 HydrophobicContact CG1-CG1 4.21Å; I510-I654 HydrophobicContact CG1-CG2 4.45Å; I510-I654 HydrophobicContact CG2-CD1 3.86Å; I510-I654 HydrophobicContact CG2-CG2 4.22Å; I597-I654 PolarHBondContact N-O 3.21Å; I597-I654 PolarHBondContact O-N 2.9Å; V599-I654 HydrophobicContact CB-CD1 4.31Å; V599-I654 HydrophobicContact CG1-CD1 4.18Å; V599-I654 HydrophobicContact CG2-CD1 3.42Å; V599-I654 VanDerWaalsContact CG2-CD1 3.42Å; V599-I654 HydrophobicContact CG2-CG1 3.91Å; P650-I654 HydrophobicContact CG-CD1 4.26Å; I654-E658 HydrophobicContact CG2-CB 4.07Å; I654-E658 WeakPolarHBondContact CG2-OE2 3.06Å; I654-V659 HydrophobicContact CG2-CG2 3.78Å
655	S	86.8	Confident	90.1	Very high	40 Å²	40	64.6 Å²	64.6	28%	0.28	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	143.5	172.1	-178.9	0	0	0	0	111.8	A595 G657 E658 V659	A595-S655 CarbonylContact O-C 3.57Å; A595-S655 VanDerWaalsContact O-CA 3.29Å; A595-S655 WeakPolarHBondContact O-CA 3.27Å; S655-G657 PolarHBondContact O-N 2.92Å; S655-G657 VanDerWaalsContact O-N 3.15Å; S655-G657 PolarHBondContact OG-N 3.21Å; S655-E658 PolarHBondContact N-OE2 3.28Å; S655-E658 WeakPolarHBondContact O-CB 3.44Å; S655-E658 PolarHBondContact O-N 3.05Å; S655-V659 PolarHBondContact O-N 3.19Å
656	H	84.8	Confident	90.1	Very high	82 Å²	82	64.9 Å²	64.9	38%	0.38	34%	0.341	S	S	.	.	H	α-helix	trans	-55.3	-32.7	172.7	-170.9	60.3	0	0	0	112.4	A595 I597 V659 L660	A595-H656 PolarHBondContact O-N 3.48Å; I597-H656 HydrophobicContact CD1-CB 3.75Å; H656-V659 PolarHBondContact O-N 2.98Å; H656-L660 PolarHBondContact O-N 3.42Å
657	G	88.9	Confident	90	Very high	41 Å²	41	68.6 Å²	68.6	42%	0.423	36%	0.358	S	S	.	.	H	α-helix	trans	-64.8	-39.4	174.5	0	0	0	0	0	113.6	S655 V659 L660 E661	S655-G657 PolarHBondContact O-N 2.92Å; S655-G657 VanDerWaalsContact O-N 3.15Å; S655-G657 PolarHBondContact OG-N 3.21Å; G657-V659 VanDerWaalsContact C-N 3.31Å; G657-V659 PolarHBondContact O-N 3.31Å; G657-L660 PolarHBondContact O-N 3.2Å; G657-E661 WeakPolarHBondContact O-CB 3.33Å; G657-E661 PolarHBondContact O-N 3.45Å
658	E	89.9	Confident	90.1	Very high	93 Å²	93	74.8 Å²	74.8	44%	0.435	39%	0.387	S	S	.	.	H	α-helix	trans	-66.9	-33.5	178.5	-66.9	171.2	149.2	0	0	111.7	I654 S655 W662	I654-E658 HydrophobicContact CG2-CB 4.07Å; I654-E658 WeakPolarHBondContact CG2-OE2 3.06Å; S655-E658 PolarHBondContact N-OE2 3.28Å; S655-E658 WeakPolarHBondContact O-CB 3.44Å; S655-E658 PolarHBondContact O-N 3.05Å; E658-W662 VanDerWaalsContact O-CB 3.29Å; E658-W662 WeakPolarHBondContact O-CB 3.37Å; E658-W662 PolarHBondContact O-N 3.36Å
659	V	91.2	Very high	90.2	Very high	0 Å²	0	76.5 Å²	76.5	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-63.4	-47	175	173	0	0	0	0	110.9	Q515 I516 I654 S655 H656 G657 Q663	Q515-V659 HydrophobicContact CB-CG1 4.3Å; I516-V659 HydrophobicContact CD1-CG1 4.07Å; I516-V659 HydrophobicContact CD1-CG2 4.5Å; I516-V659 HydrophobicContact CG1-CG1 3.92Å; I654-V659 HydrophobicContact CG2-CG2 3.78Å; S655-V659 PolarHBondContact O-N 3.19Å; H656-V659 PolarHBondContact O-N 2.98Å; G657-V659 VanDerWaalsContact C-N 3.31Å; G657-V659 PolarHBondContact O-N 3.31Å; V659-Q663 WeakPolarHBondContact O-CG 3.47Å; V659-Q663 PolarHBondContact O-N 2.69Å; V659-Q663 VanDerWaalsContact O-N 3.12Å
660	L	92.6	Very high	90.5	Very high	88 Å²	88	71.3 Å²	71.3	46%	0.461	36%	0.361	S	S	.	.	H	α-helix	trans	-70.1	-39.5	179	-64.6	174.4	0	0	0	112.2	H656 G657 Q663 K664	H656-L660 PolarHBondContact O-N 3.42Å; G657-L660 PolarHBondContact O-N 3.2Å; L660-Q663 PolarHBondContact O-N 3.37Å; L660-K664 PolarHBondContact O-N 3.42Å
661	E	94.8	Very high	90.7	Very high	131 Å²	131	73.6 Å²	73.6	61%	0.612	38%	0.375	S	S	*	.	H	α-helix	trans	-62.3	-44.4	174.5	-175.1	172.7	-161	0	0	111.1	G657 Q663 K664 T665	G657-E661 WeakPolarHBondContact O-CB 3.33Å; G657-E661 PolarHBondContact O-N 3.45Å; E661-Q663 PolarHBondContact O-N 3.13Å; E661-K664 PolarHBondContact O-N 2.66Å; E661-T665 WeakPolarHBondContact O-CB 3.49Å; E661-T665 PolarHBondContact O-N 3.29Å; E661-T665 PolarHBondContact O-OG1 3.07Å; E661-T665 VanDerWaalsContact O-OG1 3.06Å
662	W	95	Very high	91	Very high	51 Å²	51	71.2 Å²	71.2	19%	0.193	36%	0.36	C	S	.	.	H	α-helix	trans	-57	-51.3	174.5	177.9	-89.7	0	0	0	111.8	I507 N508 T511 I516 E658 K664 T665 F666	I507-W662 HydrophobicContact CD1-CH2 4.33Å; I507-W662 HydrophobicContact CD1-CZ2 4.11Å; N508-W662 HydrophobicContact CB-CH2 4.04Å; N508-W662 HydrophobicContact CB-CZ3 3.83Å; T511-W662 HydrophobicContact CG2-CH2 4.27Å; T511-W662 HydrophobicContact CG2-CZ2 3.33Å; I516-W662 HydrophobicContact CD1-CB 4.44Å; I516-W662 HydrophobicContact CD1-CG 4.24Å; E658-W662 VanDerWaalsContact O-CB 3.29Å; E658-W662 WeakPolarHBondContact O-CB 3.37Å; E658-W662 PolarHBondContact O-N 3.36Å; W662-K664 VanDerWaalsContact C-N 3.34Å; W662-K664 PolarHBondContact O-N 3.13Å; W662-T665 PolarHBondContact O-N 3.35Å; W662-F666 AromaticContact CZ2-CD2 3.71Å; W662-F666 HydrophobicContact CZ2-CD2 3.71Å; W662-F666 HydrophobicContact CZ2-CE2 4.15Å; W662-F666 WeakPolarHBondContact O-CB 3.35Å; W662-F666 PolarHBondContact O-N 3.13Å
663	Q	94.2	Very high	91.1	Very high	37 Å²	37	66.7 Å²	66.7	17%	0.173	34%	0.335	C	S	.	.	H	α-helix	trans	-56	-48.2	179.7	-72.3	172.7	1.8	0	0	111.5	Q515 I516 N519 V659 L660 E661 F666 E667	Q515-Q663 PolarHBondContact O-NE2 3.3Å; I516-Q663 HydrophobicContact CG1-CG 4.18Å; N519-Q663 HydrophobicContact CB-CG 4.3Å; V659-Q663 WeakPolarHBondContact O-CG 3.47Å; V659-Q663 PolarHBondContact O-N 2.69Å; V659-Q663 VanDerWaalsContact O-N 3.12Å; L660-Q663 PolarHBondContact O-N 3.37Å; E661-Q663 PolarHBondContact O-N 3.13Å; Q663-F666 PolarHBondContact O-N 3.43Å; Q663-E667 PolarHBondContact O-N 3.15Å
664	K	96	Very high	90.9	Very high	155 Å²	155	63.4 Å²	63.4	67%	0.674	33%	0.325	S	S	*	.	H	α-helix	trans	-61.6	-51.3	178.7	-176.7	-177.5	176.4	-174.9	0	112.2	L660 E661 W662 F666 E667 E668	L660-K664 PolarHBondContact O-N 3.42Å; E661-K664 PolarHBondContact O-N 2.66Å; W662-K664 VanDerWaalsContact C-N 3.34Å; W662-K664 PolarHBondContact O-N 3.13Å; K664-F666 PolarHBondContact O-N 2.91Å; K664-E667 PolarHBondContact O-N 3.21Å; K664-E668 WeakPolarHBondContact O-CB 3.49Å; K664-E668 PolarHBondContact O-N 3.46Å
665	T	96.1	Very high	90.6	Very high	51 Å²	51	65.7 Å²	65.7	31%	0.313	34%	0.342	S	S	.	.	H	α-helix	trans	-64.5	-28.9	-180	-59.6	0	0	0	0	112.3	E661 W662 K669	E661-T665 WeakPolarHBondContact O-CB 3.49Å; E661-T665 PolarHBondContact O-N 3.29Å; E661-T665 PolarHBondContact O-OG1 3.07Å; E661-T665 VanDerWaalsContact O-OG1 3.06Å; W662-T665 PolarHBondContact O-N 3.35Å; T665-K669 WeakPolarHBondContact O-CG 3.47Å; T665-K669 PolarHBondContact O-N 3.37Å
666	F	95.8	Very high	89.8	Confident	6 Å²	6	69.7 Å²	69.7	3%	0.026	36%	0.364	C	S	.	.	H	α-helix	trans	-78.6	-42.6	178.9	-163.3	-91.6	0	0	0	112.1	Y624 Y625 T627 W662 Q663 K664 E668 K669 L670	Y624-F666 HydrophobicContact CD1-CE1 4.18Å; Y624-F666 AromaticContact CD1-CZ 3.93Å; Y624-F666 HydrophobicContact CD1-CZ 3.93Å; Y624-F666 AromaticContact CE1-CE1 3.49Å; Y624-F666 HydrophobicContact CE1-CE1 3.49Å; Y624-F666 VanDerWaalsContact CE1-CE1 3.49Å; Y624-F666 AromaticContact CE1-CZ 3.64Å; Y624-F666 HydrophobicContact CE1-CZ 3.64Å; Y624-F666 HydrophobicContact CE2-CE1 4.16Å; Y624-F666 AromaticContact CZ-CE1 3.46Å; Y624-F666 VanDerWaalsContact CZ-CE1 3.46Å; Y624-F666 WeakPolarHBondContact O-CZ 3.23Å; Y624-F666 WeakPolarHBondContact OH-CE1 3.46Å; Y625-F666 HydrophobicContact CD1-CZ 4.31Å; T627-F666 HydrophobicContact CG2-CD2 4.24Å; T627-F666 HydrophobicContact CG2-CE1 4.26Å; T627-F666 HydrophobicContact CG2-CE2 3.73Å; T627-F666 HydrophobicContact CG2-CZ 3.75Å; W662-F666 AromaticContact CZ2-CD2 3.71Å; W662-F666 HydrophobicContact CZ2-CD2 3.71Å; W662-F666 HydrophobicContact CZ2-CE2 4.15Å; W662-F666 WeakPolarHBondContact O-CB 3.35Å; W662-F666 PolarHBondContact O-N 3.13Å; Q663-F666 PolarHBondContact O-N 3.43Å; K664-F666 PolarHBondContact O-N 2.91Å; F666-E668 VanDerWaalsContact C-N 3.34Å; F666-E668 PolarHBondContact O-N 3.1Å; F666-K669 PolarHBondContact O-N 2.96Å; F666-L670 HydrophobicContact CD1-CD1 3.87Å; F666-L670 HydrophobicContact CD1-CG 4.21Å; F666-L670 HydrophobicContact CE1-CD1 3.62Å; F666-L670 HydrophobicContact CE1-CD2 4.42Å; F666-L670 HydrophobicContact CE1-CG 3.97Å; F666-L670 PolarHBondContact O-N 3.44Å
667	E	94.6	Very high	89	Confident	78 Å²	78	74.2 Å²	74.2	36%	0.364	38%	0.378	S	S	.	.	H	α-helix	trans	-63.6	-38.4	173.9	-174	168.7	-155.9	0	0	112.1	L523 Q663 K664 K669 L670 T671	L523-E667 HydrophobicContact CD1-CB 4.33Å; L523-E667 HydrophobicContact CD2-CG 4.12Å; Q663-E667 PolarHBondContact O-N 3.15Å; K664-E667 PolarHBondContact O-N 3.21Å; E667-K669 VanDerWaalsContact C-N 3.29Å; E667-K669 PolarHBondContact O-N 2.88Å; E667-L670 PolarHBondContact O-N 2.96Å; E667-T671 PolarHBondContact O-N 2.93Å; E667-T671 PolarHBondContact O-OG1 3.17Å
668	E	94.8	Very high	88.4	Confident	132 Å²	132	77 Å²	77	62%	0.617	38%	0.38	S	S	*	.	H	α-helix	trans	-57.8	-40.6	173.6	-172.9	177.1	176.8	0	0	112	K664 F666 P672	K664-E668 WeakPolarHBondContact O-CB 3.49Å; K664-E668 PolarHBondContact O-N 3.46Å; F666-E668 VanDerWaalsContact C-N 3.34Å; F666-E668 PolarHBondContact O-N 3.1Å; E668-P672 VanDerWaalsContact O-CD 3.26Å; E668-P672 WeakPolarHBondContact O-CD 3.39Å
669	K	93.3	Very high	88	Confident	109 Å²	109	76.6 Å²	76.6	47%	0.474	39%	0.388	S	S	.	.	H	α-helix	trans	-73.8	-29.3	176.8	-71.4	170.6	-176	172.2	0	114.1	T627 T665 F666 E667 P672	T627-K669 HydrophobicContact CG2-CB 3.87Å; T665-K669 WeakPolarHBondContact O-CG 3.47Å; T665-K669 PolarHBondContact O-N 3.37Å; F666-K669 PolarHBondContact O-N 2.96Å; E667-K669 VanDerWaalsContact C-N 3.29Å; E667-K669 PolarHBondContact O-N 2.88Å; K669-P672 WeakPolarHBondContact O-CD 3.34Å
670	L	92.1	Very high	87.7	Confident	4 Å²	4	78.4 Å²	78.4	2%	0.021	40%	0.397	C	S	.	.	H	α-helix	trans	-77.1	-28.6	175.2	-75.2	-179.6	0	0	0	112.9	L523 L527 Y624 T627 F666 E667 L673 L674	L523-L670 HydrophobicContact CB-CD1 4.14Å; L523-L670 HydrophobicContact CD1-CD1 4.09Å; L527-L670 HydrophobicContact CD1-CD1 4.1Å; L527-L670 HydrophobicContact CD1-CD2 4.1Å; Y624-L670 HydrophobicContact CE2-CD1 3.82Å; T627-L670 HydrophobicContact CG2-CD2 3.73Å; T627-L670 HydrophobicContact CG2-CG 4.03Å; F666-L670 HydrophobicContact CD1-CD1 3.87Å; F666-L670 HydrophobicContact CD1-CG 4.21Å; F666-L670 HydrophobicContact CE1-CD1 3.62Å; F666-L670 HydrophobicContact CE1-CD2 4.42Å; F666-L670 HydrophobicContact CE1-CG 3.97Å; F666-L670 PolarHBondContact O-N 3.44Å; E667-L670 PolarHBondContact O-N 2.96Å; L670-L673 HydrophobicContact CD2-CD1 3.76Å; L670-L673 WeakPolarHBondContact O-CB 3.44Å; L670-L673 PolarHBondContact O-N 3.11Å; L670-L674 PolarHBondContact O-N 2.88Å
671	T	90.4	Very high	87.6	Confident	78 Å²	78	77.8 Å²	77.8	48%	0.479	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-54.1	-42.2	-175	-63.1	0	0	0	0	113.9	E667 L673 L674 S675	E667-T671 PolarHBondContact O-N 2.93Å; E667-T671 PolarHBondContact O-OG1 3.17Å; T671-L673 VanDerWaalsContact C-N 3.28Å; T671-L673 PolarHBondContact O-N 3.33Å; T671-L674 PolarHBondContact O-N 3.5Å; T671-S675 PolarHBondContact O-N 2.87Å
672	P	89.3	Confident	87.3	Confident	79 Å²	79	78.2 Å²	78.2	51%	0.513	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-58.5	-31.3	173.1	-27.9	35.9	0	0	0	115.2	E668 K669 L674 S675	E668-P672 VanDerWaalsContact O-CD 3.26Å; E668-P672 WeakPolarHBondContact O-CD 3.39Å; K669-P672 WeakPolarHBondContact O-CD 3.34Å; P672-L674 VanDerWaalsContact C-N 3.31Å; P672-S675 WeakPolarHBondContact O-CB 3.26Å; P672-S675 PolarHBondContact O-N 3.34Å; P672-S675 PolarHBondContact O-OG 2.93Å
673	L	86.3	Confident	87	Confident	31 Å²	31	82.3 Å²	82.3	16%	0.162	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-73.5	-27.8	-179.3	-51	170.7	0	0	0	111.6	R534 L622 L670 T671 S675	R534-L673 PolarHBondContact NH1-O 3.16Å; L622-L673 HydrophobicContact CD1-CD1 4.04Å; L670-L673 HydrophobicContact CD2-CD1 3.76Å; L670-L673 WeakPolarHBondContact O-CB 3.44Å; L670-L673 PolarHBondContact O-N 3.11Å; T671-L673 VanDerWaalsContact C-N 3.28Å; T671-L673 PolarHBondContact O-N 3.33Å; L673-S675 VanDerWaalsContact C-N 3.34Å
674	L	80.1	Confident	86.7	Confident	41 Å²	41	83.4 Å²	83.4	22%	0.215	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-81.8	-9.6	172	-68.2	168.8	0	0	0	113	L527 T530 L670 T671 P672 V676	L527-L674 HydrophobicContact CD2-CD2 3.6Å; L527-L674 HydrophobicContact CD2-CG 3.85Å; L527-L674 HydrophobicContact CG-CD2 4.2Å; T530-L674 HydrophobicContact CG2-CD2 3.91Å; L670-L674 PolarHBondContact O-N 2.88Å; T671-L674 PolarHBondContact O-N 3.5Å; P672-L674 VanDerWaalsContact C-N 3.31Å; L674-V676 PolarHBondContact O-N 3.36Å
675	S	74.9	Confident	86.4	Confident	53 Å²	53	76.1 Å²	76.1	37%	0.371	40%	0.397	S	S	.	.			trans	-66.4	126.1	-175.4	69.6	0	0	0	0	111.9	T671 P672 L673	T671-S675 PolarHBondContact O-N 2.87Å; P672-S675 WeakPolarHBondContact O-CB 3.26Å; P672-S675 PolarHBondContact O-N 3.34Å; P672-S675 PolarHBondContact O-OG 2.93Å; L673-S675 VanDerWaalsContact C-N 3.34Å
676	V	70.6	Confident	86.1	Confident	123 Å²	123	79 Å²	79	75%	0.745	41%	0.407	S	S	*	.			trans	-67.4	150.4	168	-179.9	0	0	0	0	108.2	L674 E678	L674-V676 PolarHBondContact O-N 3.36Å; V676-E678 PolarHBondContact O-N 3.27Å
677	R	67.6	Low	85.7	Confident	178 Å²	178	83.4 Å²	83.4	67%	0.672	43%	0.426	S	S	*	.			trans	-57.1	108.2	174.5	-73.3	-172.5	177.4	-169	-1	110	S679	R677-S679 PolarHBondContact O-N 2.99Å; R677-S679 VanDerWaalsContact O-N 3.15Å; R677-S679 PolarHBondContact O-OG 3.38Å
678	E	76	Confident	85.3	Confident	100 Å²	100	80 Å²	80	47%	0.467	41%	0.41	S	S	.	.			trans	-57.1	118.3	175.8	-76.2	164.1	-140.8	0	0	109.8	V676 A757 K758	V676-E678 PolarHBondContact O-N 3.27Å; E678-A757 HydrophobicContact CB-CB 3.77Å; E678-A757 VanDerWaalsContact O-CB 3.27Å; E678-A757 WeakPolarHBondContact O-CB 3.48Å; E678-A757 PolarHBondContact O-N 2.66Å; E678-A757 VanDerWaalsContact O-N 3.08Å; E678-K758 VanDerWaalsContact CD-CE 3.47Å; E678-K758 VanDerWaalsContact OE1-CE 3.32Å; E678-K758 WeakPolarHBondContact OE1-CE 3.21Å; E678-K758 IonicContact OE1-NZ 2.91Å; E678-K758 PolarHBondContact OE1-NZ 2.65Å; E678-K758 WeakPolarHBondContact OE2-CE 3.29Å; E678-K758 IonicContact OE2-NZ 3.24Å; E678-K758 PolarHBondContact OE2-NZ 3.45Å
679	S	82.5	Confident	84.9	Confident	84 Å²	84	74.8 Å²	74.8	59%	0.587	39%	0.392	S	S	*	.	B	Isolated β-bridge	trans	-107	141.6	177.3	-60.6	0	0	0	0	108.7	R677 T755	R677-S679 PolarHBondContact O-N 2.99Å; R677-S679 VanDerWaalsContact O-N 3.15Å; R677-S679 PolarHBondContact O-OG 3.38Å; S679-T755 CarbonylContact C-O 3.57Å; S679-T755 VanDerWaalsContact CA-O 3.32Å; S679-T755 WeakPolarHBondContact CA-O 3.38Å
680	L	85.8	Confident	84.8	Confident	38 Å²	38	74.1 Å²	74.1	20%	0.199	39%	0.387	C	S	.	.			trans	-61.1	149.2	172.2	-61.8	-175.7	0	0	0	110.5	L754 T755 A757	L680-L754 VanDerWaalsContact CD1-O 3.23Å; L680-L754 WeakPolarHBondContact CD1-O 3.38Å; L680-T755 PolarHBondContact N-O 3.35Å; L680-A757 HydrophobicContact CD2-CB 4.06Å
681	S	89.6	Confident	84.9	Confident	75 Å²	75	76.9 Å²	76.9	52%	0.524	40%	0.399	S	S	.	.			trans	-63.1	155.1	170	63.7	0	0	0	0	110.6	E683 E684 A685	S681-E683 VanDerWaalsContact C-N 3.27Å; S681-E683 PolarHBondContact O-N 3.23Å; S681-E684 PolarHBondContact O-N 2.96Å; S681-E684 VanDerWaalsContact O-N 3.16Å; S681-E684 WeakPolarHBondContact OG-CB 3.42Å; S681-E684 PolarHBondContact OG-N 2.78Å; S681-A685 WeakPolarHBondContact O-CB 3.05Å; S681-A685 PolarHBondContact O-N 3.46Å
682	E	87.8	Confident	85	Confident	140 Å²	140	76.9 Å²	76.9	65%	0.654	40%	0.396	S	S	*	.	H	α-helix	trans	-61.6	-36.5	-177.1	-57.3	-153.9	117	0	0	112.5	A685 Q686 R690	E682-A685 PolarHBondContact O-N 2.82Å; E682-Q686 WeakPolarHBondContact O-CB 3.2Å; E682-Q686 VanDerWaalsContact O-CG 3.3Å; E682-Q686 WeakPolarHBondContact O-CG 3.49Å; E682-Q686 PolarHBondContact O-N 2.83Å; E682-R690 IonicContact OE1-NH1 2.63Å; E682-R690 PolarHBondContact OE1-NH1 3.41Å
683	E	89.4	Confident	85.2	Confident	137 Å²	137	75.5 Å²	75.5	64%	0.64	39%	0.387	S	S	*	.	H	α-helix	trans	-63	-44.8	174.3	-64.4	-174.4	-170.5	0	0	112.9	S681 Q686 K687	S681-E683 VanDerWaalsContact C-N 3.27Å; S681-E683 PolarHBondContact O-N 3.23Å; E683-Q686 PolarHBondContact O-N 2.67Å; E683-K687 WeakPolarHBondContact O-CG 3.37Å; E683-K687 PolarHBondContact O-N 2.85Å; E683-K687 IonicContact OE2-NZ 2.9Å
684	E	88.3	Confident	85.5	Confident	60 Å²	60	81 Å²	81	28%	0.28	41%	0.411	S	S	.	.	H	α-helix	trans	-71.3	-38.1	179.6	-170.8	63.6	-170.2	0	0	110.4	S681 Q686 K687 M688	S681-E684 PolarHBondContact O-N 2.96Å; S681-E684 VanDerWaalsContact O-N 3.16Å; S681-E684 WeakPolarHBondContact OG-CB 3.42Å; S681-E684 PolarHBondContact OG-N 2.78Å; E684-Q686 VanDerWaalsContact C-N 3.3Å; E684-Q686 PolarHBondContact O-N 3.02Å; E684-K687 PolarHBondContact O-N 2.98Å; E684-K687 WeakPolarHBondContact OE2-CD 3.48Å; E684-M688 HydrophobicContact CG-CG 4.29Å; E684-M688 VanDerWaalsContact O-CB 3.3Å; E684-M688 WeakPolarHBondContact O-CB 3.5Å; E684-M688 WeakPolarHBondContact O-CG 3.15Å; E684-M688 PolarHBondContact O-N 2.91Å
685	A	89.1	Confident	86.2	Confident	2 Å²	2	84.2 Å²	84.2	2%	0.017	43%	0.425	C	S	.	.	H	α-helix	trans	-58.9	-41.3	172.1	0	0	0	0	0	111.7	S681 E682 M688 G689 R690 L754	S681-A685 WeakPolarHBondContact O-CB 3.05Å; S681-A685 PolarHBondContact O-N 3.46Å; E682-A685 PolarHBondContact O-N 2.82Å; A685-M688 PolarHBondContact O-N 2.75Å; A685-G689 PolarHBondContact O-N 2.9Å; A685-G689 VanDerWaalsContact O-N 3.14Å; A685-R690 HydrophobicContact CB-CB 4.25Å; A685-R690 VanDerWaalsContact O-CB 3.28Å; A685-R690 WeakPolarHBondContact O-CB 3.4Å; A685-R690 PolarHBondContact O-N 2.95Å; A685-L754 HydrophobicContact CB-CD2 3.91Å
686	Q	89.7	Confident	87.1	Confident	111 Å²	111	83.3 Å²	83.3	52%	0.519	42%	0.415	S	S	.	.	H	α-helix	trans	-65.8	-46.1	174	-74.3	-67.1	-7	0	0	112.5	E682 E683 E684 M688 G689	E682-Q686 WeakPolarHBondContact O-CB 3.2Å; E682-Q686 VanDerWaalsContact O-CG 3.3Å; E682-Q686 WeakPolarHBondContact O-CG 3.49Å; E682-Q686 PolarHBondContact O-N 2.83Å; E683-Q686 PolarHBondContact O-N 2.67Å; E684-Q686 VanDerWaalsContact C-N 3.3Å; E684-Q686 PolarHBondContact O-N 3.02Å; Q686-M688 VanDerWaalsContact C-N 3.25Å; Q686-M688 PolarHBondContact O-N 2.7Å; Q686-G689 PolarHBondContact O-N 3.48Å
687	K	88.4	Confident	88.3	Confident	98 Å²	98	77.7 Å²	77.7	43%	0.426	38%	0.382	S	S	.	.	H	α-helix	trans	-57.1	-40	174.7	-71.8	165.2	-168.7	161.3	0	111.9	R181 E683 E684 G689	R181-K687 WeakPolarHBondContact CD-O 3.37Å; E683-K687 WeakPolarHBondContact O-CG 3.37Å; E683-K687 PolarHBondContact O-N 2.85Å; E683-K687 IonicContact OE2-NZ 2.9Å; E684-K687 PolarHBondContact O-N 2.98Å; E684-K687 WeakPolarHBondContact OE2-CD 3.48Å; K687-G689 VanDerWaalsContact C-N 3.25Å; K687-G689 PolarHBondContact O-N 3.27Å
688	M	84.6	Confident	89.6	Confident	6 Å²	6	72.5 Å²	72.5	3%	0.03	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-2.4	177.8	-64.3	-63.1	-63.1	0	0	113.8	R180 M184 E684 A685 Q686 L754	R180-M688 HydrophobicContact CB-CE 4.02Å; R180-M688 HydrophobicContact CB-SD 4.45Å; M184-M688 HydrophobicContact CG-CE 4.44Å; M184-M688 HydrophobicContact SD-CE 3.24Å; M184-M688 WeakPolarHBondContact SD-CE 3.47Å; E684-M688 HydrophobicContact CG-CG 4.29Å; E684-M688 VanDerWaalsContact O-CB 3.3Å; E684-M688 WeakPolarHBondContact O-CB 3.5Å; E684-M688 WeakPolarHBondContact O-CG 3.15Å; E684-M688 PolarHBondContact O-N 2.91Å; A685-M688 PolarHBondContact O-N 2.75Å; Q686-M688 VanDerWaalsContact C-N 3.25Å; Q686-M688 PolarHBondContact O-N 2.7Å; M688-L754 HydrophobicContact CB-CD1 4.44Å; M688-L754 HydrophobicContact CB-CD2 4.11Å; M688-L754 HydrophobicContact CB-CG 4.38Å; M688-L754 WeakPolarHBondContact O-CD1 3.43Å
689	G	87.9	Confident	90.4	Very high	24 Å²	24	72.2 Å²	72.2	25%	0.247	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	33.3	171	0	0	0	0	0	116.1	A685 Q686 K687 K691	A685-G689 PolarHBondContact O-N 2.9Å; A685-G689 VanDerWaalsContact O-N 3.14Å; Q686-G689 PolarHBondContact O-N 3.48Å; K687-G689 VanDerWaalsContact C-N 3.25Å; K687-G689 PolarHBondContact O-N 3.27Å; G689-K691 PolarHBondContact O-N 2.91Å
690	R	91.6	Very high	91	Very high	94 Å²	94	70.1 Å²	70.1	36%	0.355	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-48.5	125.9	169.6	-177.8	180	179.5	-174.8	0.3	110.2	E682 A685 L754	E682-R690 IonicContact OE1-NH1 2.63Å; E682-R690 PolarHBondContact OE1-NH1 3.41Å; A685-R690 HydrophobicContact CB-CB 4.25Å; A685-R690 VanDerWaalsContact O-CB 3.28Å; A685-R690 WeakPolarHBondContact O-CB 3.4Å; A685-R690 PolarHBondContact O-N 2.95Å; R690-L754 HydrophobicContact CB-CD2 4.46Å
691	K	92.4	Very high	91.5	Very high	62 Å²	62	68.5 Å²	68.5	27%	0.27	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-88.2	136.8	-178.8	-69.9	-174.2	174.8	-162.1	0	110.8	G689 E696 V747 F750 N751	G689-K691 PolarHBondContact O-N 2.91Å; K691-E696 WeakPolarHBondContact CD-OE1 3.49Å; K691-E696 WeakPolarHBondContact CE-OE1 3.48Å; K691-E696 IonicContact NZ-OE1 2.64Å; K691-E696 PolarHBondContact NZ-OE1 3.23Å; K691-V747 HydrophobicContact CB-CG1 3.87Å; K691-F750 HydrophobicContact CD-CD1 4Å; K691-F750 HydrophobicContact CD-CE1 4.4Å; K691-F750 HydrophobicContact CG-CD1 4Å; K691-F750 HydrophobicContact CG-CE1 4.17Å; K691-N751 PolarHBondContact N-OD1 2.94Å; K691-N751 PolarHBondContact O-ND2 3.1Å
692	D	94.3	Very high	91.6	Very high	79 Å²	79	68.7 Å²	68.7	42%	0.422	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-80.8	130.2	169.7	179.9	72.1	0	0	0	111.1	E694 Q695 E696	D692-E694 PolarHBondContact O-N 3.29Å; D692-E694 WeakPolarHBondContact OD2-CA 3.27Å; D692-E694 PolarHBondContact OD2-N 3.07Å; D692-Q695 HydrophobicContact CB-CB 3.87Å; D692-Q695 PolarHBondContact OD2-N 2.65Å; D692-E696 PolarHBondContact O-N 2.8Å; D692-E696 VanDerWaalsContact O-N 3.09Å
693	P	93.1	Very high	92	Very high	49 Å²	49	65.3 Å²	65.3	32%	0.318	32%	0.324	S	S	.	.	H	α-helix	trans	-63.6	-34.8	-178.3	-22.4	33.4	0	0	0	114.5	V697 K744 V747	P693-V697 VanDerWaalsContact O-CG2 3.25Å; P693-V697 WeakPolarHBondContact O-CG2 3.28Å; P693-V697 PolarHBondContact O-N 2.71Å; P693-K744 HydrophobicContact CB-CG 4.49Å; P693-V747 HydrophobicContact CB-CG1 4.24Å; P693-V747 HydrophobicContact CG-CG1 3.97Å
694	E	92.4	Very high	92.2	Very high	146 Å²	146	59.7 Å²	59.7	68%	0.682	30%	0.299	S	S	*	.	H	α-helix	trans	-79.5	-41.1	-177.5	-57.8	-166.6	165.6	0	0	110.5	D692 E696 V697 E698	D692-E694 PolarHBondContact O-N 3.29Å; D692-E694 WeakPolarHBondContact OD2-CA 3.27Å; D692-E694 PolarHBondContact OD2-N 3.07Å; E694-E696 VanDerWaalsContact C-N 3.34Å; E694-E696 PolarHBondContact O-N 3.13Å; E694-V697 PolarHBondContact O-N 2.86Å; E694-E698 WeakPolarHBondContact O-CB 3.47Å; E694-E698 PolarHBondContact O-N 3.1Å
695	Q	94.6	Very high	92.5	Very high	109 Å²	109	57.8 Å²	57.8	51%	0.509	29%	0.291	S	S	.	.	H	α-helix	trans	-61.4	-39	174.8	-159.2	-159.9	46.2	0	0	112.3	D692 E698 K699	D692-Q695 HydrophobicContact CB-CB 3.87Å; D692-Q695 PolarHBondContact OD2-N 2.65Å; Q695-E698 PolarHBondContact O-N 3.38Å; Q695-K699 WeakPolarHBondContact O-CG 3.38Å; Q695-K699 PolarHBondContact O-N 3.25Å
696	E	93.9	Very high	92.7	Very high	34 Å²	34	62.1 Å²	62.1	16%	0.159	31%	0.311	C	S	.	.	H	α-helix	trans	-73.8	-34.9	177.6	-154.3	81.6	155.1	0	0	112	K691 D692 E694 E698 K699 F700 V743 V747	K691-E696 WeakPolarHBondContact CD-OE1 3.49Å; K691-E696 WeakPolarHBondContact CE-OE1 3.48Å; K691-E696 IonicContact NZ-OE1 2.64Å; K691-E696 PolarHBondContact NZ-OE1 3.23Å; D692-E696 PolarHBondContact O-N 2.8Å; D692-E696 VanDerWaalsContact O-N 3.09Å; E694-E696 VanDerWaalsContact C-N 3.34Å; E694-E696 PolarHBondContact O-N 3.13Å; E696-E698 VanDerWaalsContact C-N 3.31Å; E696-E698 PolarHBondContact O-N 3.24Å; E696-K699 PolarHBondContact O-N 3.36Å; E696-K699 WeakPolarHBondContact OE2-CD 3.49Å; E696-K699 WeakPolarHBondContact OE2-CE 3.43Å; E696-K699 IonicContact OE2-NZ 3.61Å; E696-K699 PolarHBondContact OE2-NZ 2.92Å; E696-F700 WeakPolarHBondContact O-CB 3.42Å; E696-F700 PolarHBondContact O-N 2.88Å; E696-V743 HydrophobicContact CG-CG1 4.41Å; E696-V747 HydrophobicContact CB-CG2 3.56Å; E696-V747 HydrophobicContact CG-CG2 3.71Å
697	V	94.5	Very high	93	Very high	6 Å²	6	62.5 Å²	62.5	4%	0.036	31%	0.313	C	S	.	.	H	α-helix	trans	-62.7	-38.7	169.8	168.1	0	0	0	0	110.9	P693 E694 F700 V701 F733 I740 V743 K744	P693-V697 VanDerWaalsContact O-CG2 3.25Å; P693-V697 WeakPolarHBondContact O-CG2 3.28Å; P693-V697 PolarHBondContact O-N 2.71Å; E694-V697 PolarHBondContact O-N 2.86Å; V697-F700 WeakPolarHBondContact O-CB 3.25Å; V697-F700 PolarHBondContact O-N 3.32Å; V697-V701 HydrophobicContact CG1-CG2 4.42Å; V697-V701 WeakPolarHBondContact O-CG2 3.45Å; V697-V701 PolarHBondContact O-N 3.39Å; V697-F733 HydrophobicContact CG1-CE1 4.4Å; V697-F733 HydrophobicContact CG1-CZ 4.13Å; V697-I740 HydrophobicContact CG1-CB 4.39Å; V697-I740 HydrophobicContact CG1-CG2 4.29Å; V697-V743 HydrophobicContact CG2-CB 4.34Å; V697-V743 HydrophobicContact CG2-CG1 3.9Å; V697-K744 HydrophobicContact CG2-CD 4.48Å; V697-K744 HydrophobicContact CG2-CG 3.72Å
698	E	94.8	Very high	93.2	Very high	68 Å²	68	62.8 Å²	62.8	32%	0.318	32%	0.318	S	S	.	.	H	α-helix	trans	-65.6	-41.4	175.9	-168.6	62.6	-157.9	0	0	112	E694 Q695 E696 F700 V701 T702 R729	E694-E698 WeakPolarHBondContact O-CB 3.47Å; E694-E698 PolarHBondContact O-N 3.1Å; Q695-E698 PolarHBondContact O-N 3.38Å; E696-E698 VanDerWaalsContact C-N 3.31Å; E696-E698 PolarHBondContact O-N 3.24Å; E698-F700 VanDerWaalsContact C-N 3.31Å; E698-F700 PolarHBondContact O-N 3.35Å; E698-V701 PolarHBondContact O-N 3.06Å; E698-T702 WeakPolarHBondContact O-CB 3.46Å; E698-T702 WeakPolarHBondContact O-CG2 3.36Å; E698-T702 PolarHBondContact O-N 3.36Å; E698-T702 PolarHBondContact O-OG1 3.47Å; E698-R729 VanDerWaalsContact CD-NH1 3.35Å; E698-R729 IonicContact OE1-CZ 3.03Å; E698-R729 IonicContact OE1-NH1 3.63Å; E698-R729 PolarHBondContact OE1-NH1 3.3Å; E698-R729 IonicContact OE1-NH2 2.74Å; E698-R729 IonicContact OE2-CZ 2.86Å; E698-R729 IonicContact OE2-NH1 3.48Å; E698-R729 PolarHBondContact OE2-NH1 3.04Å; E698-R729 IonicContact OE2-NH2 3.05Å; E698-R729 PolarHBondContact OE2-NH2 3.26Å
699	K	94.8	Very high	93.4	Very high	94 Å²	94	63.7 Å²	63.7	41%	0.409	33%	0.329	S	S	.	.	H	α-helix	trans	-61.5	-38.1	170.6	-69.2	172.2	-147.7	157.2	0	111.9	Q695 E696 T702 S703	Q695-K699 WeakPolarHBondContact O-CG 3.38Å; Q695-K699 PolarHBondContact O-N 3.25Å; E696-K699 PolarHBondContact O-N 3.36Å; E696-K699 WeakPolarHBondContact OE2-CD 3.49Å; E696-K699 WeakPolarHBondContact OE2-CE 3.43Å; E696-K699 IonicContact OE2-NZ 3.61Å; E696-K699 PolarHBondContact OE2-NZ 2.92Å; K699-T702 WeakPolarHBondContact CA-OG1 3.4Å; K699-T702 PolarHBondContact O-OG1 2.72Å; K699-T702 VanDerWaalsContact O-OG1 3.12Å; K699-S703 VanDerWaalsContact O-CB 3.31Å; K699-S703 WeakPolarHBondContact O-CB 3.15Å; K699-S703 PolarHBondContact O-N 3.36Å; K699-S703 PolarHBondContact O-OG 3.07Å
700	F	94.9	Very high	93.6	Very high	41 Å²	41	71.4 Å²	71.4	18%	0.18	36%	0.356	C	S	.	.	H	α-helix	trans	-67.1	-43.4	175.6	178.7	-97.2	0	0	0	112.1	E696 V697 E698 S703 N704 L717 I732 K739 I740 V743	E696-F700 WeakPolarHBondContact O-CB 3.42Å; E696-F700 PolarHBondContact O-N 2.88Å; V697-F700 WeakPolarHBondContact O-CB 3.25Å; V697-F700 PolarHBondContact O-N 3.32Å; E698-F700 VanDerWaalsContact C-N 3.31Å; E698-F700 PolarHBondContact O-N 3.35Å; F700-S703 WeakPolarHBondContact CA-OG 3.34Å; F700-S703 PolarHBondContact O-OG 2.79Å; F700-S703 VanDerWaalsContact O-OG 3.1Å; F700-N704 WeakPolarHBondContact CD2-ND2 3.42Å; F700-N704 VanDerWaalsContact CE2-ND2 3.35Å; F700-N704 WeakPolarHBondContact CE2-ND2 3.42Å; F700-N704 WeakPolarHBondContact O-CB 3.47Å; F700-N704 PolarHBondContact O-N 3.43Å; F700-N704 VanDerWaalsContact O-N 3.12Å; F700-N704 PolarHBondContact O-ND2 2.92Å; F700-L717 HydrophobicContact CE1-CD1 3.92Å; F700-L717 HydrophobicContact CZ-CD1 3.79Å; F700-L717 HydrophobicContact CZ-CD2 4.17Å; F700-I732 HydrophobicContact CE1-CG2 4.39Å; F700-K739 HydrophobicContact CE1-CB 4.33Å; F700-K739 HydrophobicContact CZ-CB 4.14Å; F700-I740 HydrophobicContact CD1-CG2 4.36Å; F700-I740 HydrophobicContact CE1-CG2 4.4Å; F700-V743 HydrophobicContact CB-CG1 4.38Å; F700-V743 HydrophobicContact CB-CG2 4.18Å; F700-V743 HydrophobicContact CD1-CG2 4.17Å; F700-V743 HydrophobicContact CD2-CG2 3.65Å; F700-V743 HydrophobicContact CE1-CG2 4.49Å; F700-V743 HydrophobicContact CE2-CG2 4Å; F700-V743 HydrophobicContact CG-CG2 3.73Å; F700-V743 HydrophobicContact CZ-CG2 4.41Å
701	V	94.6	Very high	93.5	Very high	3 Å²	3	72.8 Å²	72.8	2%	0.018	37%	0.37	C	S	.	.	H	α-helix	trans	-63.7	-46.3	176.9	168.5	0	0	0	0	111	V697 E698 N704 T705 R729 I732 F733	V697-V701 HydrophobicContact CG1-CG2 4.42Å; V697-V701 WeakPolarHBondContact O-CG2 3.45Å; V697-V701 PolarHBondContact O-N 3.39Å; E698-V701 PolarHBondContact O-N 3.06Å; V701-N704 CarbonylContact O-C 3.58Å; V701-N704 PolarHBondContact O-N 2.98Å; V701-T705 WeakPolarHBondContact O-CB 3.28Å; V701-T705 PolarHBondContact O-N 2.91Å; V701-T705 VanDerWaalsContact O-N 3.14Å; V701-T705 PolarHBondContact O-OG1 3.46Å; V701-R729 HydrophobicContact CG1-CB 4.21Å; V701-R729 HydrophobicContact CG1-CG 4.05Å; V701-I732 HydrophobicContact CG1-CD1 4.44Å; V701-I732 HydrophobicContact CG2-CG2 4.16Å; V701-F733 HydrophobicContact CG2-CE2 3.81Å; V701-F733 HydrophobicContact CG2-CZ 4.19Å
702	T	93.6	Very high	93.6	Very high	79 Å²	79	76.2 Å²	76.2	49%	0.485	39%	0.386	S	S	.	.	H	α-helix	trans	-67.2	-44.6	-179.3	48	0	0	0	0	112.5	E698 K699 N704 T705	E698-T702 WeakPolarHBondContact O-CB 3.46Å; E698-T702 WeakPolarHBondContact O-CG2 3.36Å; E698-T702 PolarHBondContact O-N 3.36Å; E698-T702 PolarHBondContact O-OG1 3.47Å; K699-T702 WeakPolarHBondContact CA-OG1 3.4Å; K699-T702 PolarHBondContact O-OG1 2.72Å; K699-T702 VanDerWaalsContact O-OG1 3.12Å; T702-N704 VanDerWaalsContact C-N 3.27Å; T702-N704 PolarHBondContact O-N 3.06Å; T702-T705 PolarHBondContact O-N 3.48Å
703	S	94.7	Very high	93.6	Very high	70 Å²	70	74.8 Å²	74.8	49%	0.49	37%	0.374	S	S	.	.	H	α-helix	trans	-63.6	-28.7	175	54.7	0	0	0	0	114	K699 F700 T705	K699-S703 VanDerWaalsContact O-CB 3.31Å; K699-S703 WeakPolarHBondContact O-CB 3.15Å; K699-S703 PolarHBondContact O-N 3.36Å; K699-S703 PolarHBondContact O-OG 3.07Å; F700-S703 WeakPolarHBondContact CA-OG 3.34Å; F700-S703 PolarHBondContact O-OG 2.79Å; F700-S703 VanDerWaalsContact O-OG 3.1Å; S703-T705 VanDerWaalsContact C-N 3.33Å
704	N	94.5	Very high	93.7	Very high	19 Å²	19	74 Å²	74	10%	0.102	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	9.4	172.2	-72.8	-77.2	0	0	0	114.1	F700 V701 T702 C715 P716 L717 I732	F700-N704 WeakPolarHBondContact CD2-ND2 3.42Å; F700-N704 VanDerWaalsContact CE2-ND2 3.35Å; F700-N704 WeakPolarHBondContact CE2-ND2 3.42Å; F700-N704 WeakPolarHBondContact O-CB 3.47Å; F700-N704 PolarHBondContact O-N 3.43Å; F700-N704 VanDerWaalsContact O-N 3.12Å; F700-N704 PolarHBondContact O-ND2 2.92Å; V701-N704 CarbonylContact O-C 3.58Å; V701-N704 PolarHBondContact O-N 2.98Å; T702-N704 VanDerWaalsContact C-N 3.27Å; T702-N704 PolarHBondContact O-N 3.06Å; N704-C715 WeakPolarHBondContact O-CA 3.31Å; N704-P716 WeakPolarHBondContact O-CD 3.29Å; N704-L717 HydrophobicContact CB-CD1 4.3Å; N704-L717 HydrophobicContact CB-CG 4.36Å; N704-L717 WeakPolarHBondContact OD1-CG 3.17Å; N704-I732 HydrophobicContact CB-CD1 3.85Å
705	T	94.5	Very high	93.8	Very high	19 Å²	19	67.1 Å²	67.1	12%	0.117	34%	0.335	C	S	.	.			trans	-114.4	77.5	176	-60.5	0	0	0	0	109.2	V701 T702 S703 W713 P725 V728	V701-T705 WeakPolarHBondContact O-CB 3.28Å; V701-T705 PolarHBondContact O-N 2.91Å; V701-T705 VanDerWaalsContact O-N 3.14Å; V701-T705 PolarHBondContact O-OG1 3.46Å; T702-T705 PolarHBondContact O-N 3.48Å; S703-T705 VanDerWaalsContact C-N 3.33Å; T705-W713 HydrophobicContact CG2-CD2 4.48Å; T705-W713 HydrophobicContact CG2-CE3 3.55Å; T705-W713 HydrophobicContact CG2-CZ3 3.88Å; T705-W713 WeakPolarHBondContact O-CZ3 3.44Å; T705-P725 HydrophobicContact CG2-CB 3.69Å; T705-V728 HydrophobicContact CG2-CB 3.85Å; T705-V728 HydrophobicContact CG2-CG1 4.12Å; T705-V728 HydrophobicContact CG2-CG2 4.12Å; T705-V728 WeakPolarHBondContact OG1-CG1 3.3Å
706	Q	93.7	Very high	93.7	Very high	94 Å²	94	64.7 Å²	64.7	44%	0.439	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	129.7	-171.8	-63.4	-177.2	-4.1	0	0	111.7	W713 L714 P716	Q706-W713 CarbonylContact O-C 3.6Å; Q706-W713 WeakPolarHBondContact O-CA 3.35Å; Q706-L714 PolarHBondContact N-O 3.5Å; Q706-L714 PolarHBondContact O-N 3.21Å; Q706-P716 HydrophobicContact CG-CG 4.09Å
707	E	94.8	Very high	93.6	Very high	119 Å²	119	65.6 Å²	65.6	56%	0.556	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	115.3	173.2	-166	178	178.8	0	0	110.2	W713	E707-W713 HydrophobicContact CB-CD2 4.33Å; E707-W713 HydrophobicContact CB-CE3 4.01Å; E707-W713 HydrophobicContact CB-CH2 3.84Å; E707-W713 HydrophobicContact CB-CZ2 4.14Å; E707-W713 HydrophobicContact CB-CZ3 3.77Å; E707-W713 HydrophobicContact CG-CD2 4.42Å; E707-W713 HydrophobicContact CG-CH2 4.16Å; E707-W713 HydrophobicContact CG-CZ2 3.96Å; E707-W713 HydrophobicContact CG-CZ3 4.47Å
708	L	92.1	Very high	93.4	Very high	103 Å²	103	67.1 Å²	67.1	54%	0.539	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-13.2	169	-65.9	174.8	0	0	0	112.2	K712 L714	L708-K712 HydrophobicContact CB-CB 4.43Å; L708-K712 WeakPolarHBondContact CB-O 3.4Å; L708-K712 PolarHBondContact N-O 2.91Å; L708-L714 HydrophobicContact CD1-CB 3.76Å; L708-L714 HydrophobicContact CD1-CD2 4.12Å; L708-L714 HydrophobicContact CD1-CG 4.41Å; L708-L714 HydrophobicContact CD2-CD2 4.4Å; L708-L714 HydrophobicContact CG-CB 3.96Å; L708-L714 HydrophobicContact CG-CD2 4.5Å
709	G	90.5	Very high	93.3	Very high	26 Å²	26	66.3 Å²	66.3	27%	0.268	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	151.6	-178.8	179.4	0	0	0	0	0	111.2	D711 K712	G709-D711 PolarHBondContact O-N 3.29Å; G709-K712 PolarHBondContact N-O 3.4Å; G709-K712 CarbonylContact O-C 3.6Å; G709-K712 WeakPolarHBondContact O-CA 3.41Å; G709-K712 PolarHBondContact O-N 2.71Å
710	K	90.8	Very high	93.3	Very high	185 Å²	185	67.5 Å²	67.5	80%	0.804	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	128.1	-178.4	-59.9	-174.9	-179.9	-175.4	0	111.6	K712	K710-K712 PolarHBondContact O-N 3.34Å; K710-K712 VanDerWaalsContact O-N 3.13Å
711	D	90.6	Very high	93.3	Very high	123 Å²	123	73.1 Å²	73.1	66%	0.658	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	25.3	-176.2	-49.4	-34.8	0	0	0	114.9	G709 K723	G709-D711 PolarHBondContact O-N 3.29Å; D711-K723 WeakPolarHBondContact O-CA 3.42Å
712	K	93.2	Very high	93.3	Very high	135 Å²	135	75 Å²	75	59%	0.587	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.8	88.5	-177.9	-69.5	176.9	-175.8	171.9	0	111	L708 G709 K710	L708-K712 HydrophobicContact CB-CB 4.43Å; L708-K712 WeakPolarHBondContact CB-O 3.4Å; L708-K712 PolarHBondContact N-O 2.91Å; G709-K712 PolarHBondContact N-O 3.4Å; G709-K712 CarbonylContact O-C 3.6Å; G709-K712 WeakPolarHBondContact O-CA 3.41Å; G709-K712 PolarHBondContact O-N 2.71Å; K710-K712 PolarHBondContact O-N 3.34Å; K710-K712 VanDerWaalsContact O-N 3.13Å
713	W	95.3	Very high	93.3	Very high	48 Å²	48	79.3 Å²	79.3	18%	0.182	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	143.2	175.3	-63.8	77.6	0	0	0	110.2	T705 Q706 E707 K721 F722 G724 P725 V728	T705-W713 HydrophobicContact CG2-CD2 4.48Å; T705-W713 HydrophobicContact CG2-CE3 3.55Å; T705-W713 HydrophobicContact CG2-CZ3 3.88Å; T705-W713 WeakPolarHBondContact O-CZ3 3.44Å; Q706-W713 CarbonylContact O-C 3.6Å; Q706-W713 WeakPolarHBondContact O-CA 3.35Å; E707-W713 HydrophobicContact CB-CD2 4.33Å; E707-W713 HydrophobicContact CB-CE3 4.01Å; E707-W713 HydrophobicContact CB-CH2 3.84Å; E707-W713 HydrophobicContact CB-CZ2 4.14Å; E707-W713 HydrophobicContact CB-CZ3 3.77Å; E707-W713 HydrophobicContact CG-CD2 4.42Å; E707-W713 HydrophobicContact CG-CH2 4.16Å; E707-W713 HydrophobicContact CG-CZ2 3.96Å; E707-W713 HydrophobicContact CG-CZ3 4.47Å; W713-K721 CarbonylContact O-C 3.6Å; W713-K721 VanDerWaalsContact O-CA 3.24Å; W713-K721 WeakPolarHBondContact O-CA 3.47Å; W713-F722 HydrophobicContact CB-CB 4.44Å; W713-F722 PolarHBondContact N-O 3.21Å; W713-F722 PolarHBondContact O-N 3.27Å; W713-G724 VanDerWaalsContact CD1-CA 3.4Å; W713-P725 HydrophobicContact CD2-CB 4.16Å; W713-P725 HydrophobicContact CE3-CB 4.1Å; W713-P725 HydrophobicContact CH2-CB 4.24Å; W713-P725 HydrophobicContact CH2-CG 4.45Å; W713-P725 HydrophobicContact CZ2-CB 4.31Å; W713-P725 HydrophobicContact CZ2-CG 4.17Å; W713-P725 HydrophobicContact CZ3-CB 4.13Å; W713-V728 HydrophobicContact CB-CG2 3.71Å
714	L	94.3	Very high	93.1	Very high	34 Å²	34	76.5 Å²	76.5	18%	0.178	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.4	179.4	179.3	67.4	0	0	0	110	Q706 L708 G719 K721	Q706-L714 PolarHBondContact N-O 3.5Å; Q706-L714 PolarHBondContact O-N 3.21Å; L708-L714 HydrophobicContact CD1-CB 3.76Å; L708-L714 HydrophobicContact CD1-CD2 4.12Å; L708-L714 HydrophobicContact CD1-CG 4.41Å; L708-L714 HydrophobicContact CD2-CD2 4.4Å; L708-L714 HydrophobicContact CG-CB 3.96Å; L708-L714 HydrophobicContact CG-CD2 4.5Å; L714-G719 VanDerWaalsContact CD1-C 3.5Å; L714-G719 WeakPolarHBondContact CD1-O 3.39Å; L714-K721 HydrophobicContact CD1-CG 4.01Å
715	C	94.3	Very high	93.1	Very high	0 Å²	0	78.1 Å²	78.1	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.1	165.5	-169.2	0	0	0	0	109.9	N704 L717 S718 G719 K720 F722 V728	N704-C715 WeakPolarHBondContact O-CA 3.31Å; C715-L717 PolarHBondContact O-N 3.23Å; C715-S718 PolarHBondContact O-N 2.95Å; C715-G719 WeakPolarHBondContact O-CA 3.39Å; C715-G719 PolarHBondContact O-N 3.23Å; C715-K720 PolarHBondContact N-O 3.47Å; C715-K720 VanDerWaalsContact N-O 3.12Å; C715-F722 HydrophobicContact CB-CE2 4.22Å; C715-V728 HydrophobicContact CB-CG1 3.86Å
716	P	94.1	Very high	93	Very high	59 Å²	59	82.6 Å²	82.6	38%	0.383	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-33.9	177.7	-25.1	35.7	0	0	0	113.1	N704 Q706 S718	N704-P716 WeakPolarHBondContact O-CD 3.29Å; Q706-P716 HydrophobicContact CG-CG 4.09Å; P716-S718 PolarHBondContact O-N 2.95Å
717	L	91.8	Very high	93.1	Very high	53 Å²	53	84.2 Å²	84.2	28%	0.277	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-23	-178.2	-55.9	175.6	0	0	0	114.1	F700 N704 C715 I732 H736	F700-L717 HydrophobicContact CE1-CD1 3.92Å; F700-L717 HydrophobicContact CZ-CD1 3.79Å; F700-L717 HydrophobicContact CZ-CD2 4.17Å; N704-L717 HydrophobicContact CB-CD1 4.3Å; N704-L717 HydrophobicContact CB-CG 4.36Å; N704-L717 WeakPolarHBondContact OD1-CG 3.17Å; C715-L717 PolarHBondContact O-N 3.23Å; L717-I732 HydrophobicContact CD1-CG1 4.42Å; L717-H736 VanDerWaalsContact C-CE1 3.41Å; L717-H736 HydrophobicContact CD1-CB 4.29Å; L717-H736 PolarHBondContact O-CE1 3.4Å
718	S	90.2	Very high	93.1	Very high	38 Å²	38	78.5 Å²	78.5	27%	0.266	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	0.2	180	71.3	0	0	0	0	115.1	C715 P716 K720 H731 H736	C715-S718 PolarHBondContact O-N 2.95Å; P716-S718 PolarHBondContact O-N 2.95Å; S718-K720 PolarHBondContact O-N 3.24Å; S718-K720 WeakPolarHBondContact OG-CB 3.49Å; S718-K720 PolarHBondContact OG-N 3.35Å; S718-H731 WeakPolarHBondContact CB-NE2 3.41Å; S718-H731 PolarHBondContact OG-NE2 3.48Å; S718-H736 WeakPolarHBondContact CB-NE2 3.36Å; S718-H736 PolarHBondContact OG-NE2 2.93Å
719	G	92.9	Very high	93.2	Very high	50 Å²	50	77.5 Å²	77.5	52%	0.515	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	9.1	-173.4	0	0	0	0	0	115.4	L714 C715	L714-G719 VanDerWaalsContact CD1-C 3.5Å; L714-G719 WeakPolarHBondContact CD1-O 3.39Å; C715-G719 WeakPolarHBondContact O-CA 3.39Å; C715-G719 PolarHBondContact O-N 3.23Å
720	K	93.8	Very high	93.4	Very high	120 Å²	120	82.7 Å²	82.7	52%	0.522	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	137	-173.3	-68.5	-175.5	-178.6	-178.1	0	110.8	C715 S718 F722	C715-K720 PolarHBondContact N-O 3.47Å; C715-K720 VanDerWaalsContact N-O 3.12Å; S718-K720 PolarHBondContact O-N 3.24Å; S718-K720 WeakPolarHBondContact OG-CB 3.49Å; S718-K720 PolarHBondContact OG-N 3.35Å; K720-F722 HydrophobicContact CB-CD2 4.49Å; K720-F722 HydrophobicContact CB-CE2 3.59Å; K720-F722 HydrophobicContact CB-CZ 3.84Å; K720-F722 VanDerWaalsContact O-CD2 3.29Å; K720-F722 WeakPolarHBondContact O-CD2 3.37Å; K720-F722 VanDerWaalsContact O-CE2 3.31Å; K720-F722 WeakPolarHBondContact O-CE2 3.29Å
721	K	95.1	Very high	93.6	Very high	158 Å²	158	75.1 Å²	75.1	69%	0.687	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	139.6	179.1	-66.1	174.8	-176.5	171.1	0	110.8	W713 L714	W713-K721 CarbonylContact O-C 3.6Å; W713-K721 VanDerWaalsContact O-CA 3.24Å; W713-K721 WeakPolarHBondContact O-CA 3.47Å; L714-K721 HydrophobicContact CD1-CG 4.01Å
722	F	95.3	Very high	93.8	Very high	43 Å²	43	69.3 Å²	69.3	19%	0.189	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	157.9	-174.7	-63.9	-87.5	0	0	0	110.9	W713 C715 K720 F727 V728 H731	W713-F722 HydrophobicContact CB-CB 4.44Å; W713-F722 PolarHBondContact N-O 3.21Å; W713-F722 PolarHBondContact O-N 3.27Å; C715-F722 HydrophobicContact CB-CE2 4.22Å; K720-F722 HydrophobicContact CB-CD2 4.49Å; K720-F722 HydrophobicContact CB-CE2 3.59Å; K720-F722 HydrophobicContact CB-CZ 3.84Å; K720-F722 VanDerWaalsContact O-CD2 3.29Å; K720-F722 WeakPolarHBondContact O-CD2 3.37Å; K720-F722 VanDerWaalsContact O-CE2 3.31Å; K720-F722 WeakPolarHBondContact O-CE2 3.29Å; F722-F727 HydrophobicContact CB-CB 4.08Å; F722-F727 HydrophobicContact CD1-CB 3.81Å; F722-F727 HydrophobicContact CG-CB 4.26Å; F722-V728 HydrophobicContact CB-CG2 3.8Å; F722-V728 HydrophobicContact CD2-CG2 3.7Å; F722-V728 HydrophobicContact CG-CG2 3.93Å; F722-H731 HydrophobicContact CE1-CB 3.92Å; F722-H731 HydrophobicContact CE2-CB 4.31Å; F722-H731 AromaticContact CE2-CD2 3.66Å; F722-H731 AromaticContact CE2-CG 4Å; F722-H731 HydrophobicContact CZ-CB 3.6Å; F722-H731 AromaticContact CZ-CD2 3.47Å; F722-H731 VanDerWaalsContact CZ-CD2 3.47Å; F722-H731 WeakPolarHBondContact CZ-CD2 3.18Å; F722-H731 AromaticContact CZ-CG 3.34Å; F722-H731 AromaticContact CZ-ND1 3.84Å
723	K	92.9	Very high	93.8	Very high	170 Å²	170	66.4 Å²	66.4	74%	0.739	33%	0.325	S	S	*	.	S	Bend	trans	-83.8	-10.5	-178	-66.3	-174.2	178.5	-178.2	0	114.7	D711	D711-K723 WeakPolarHBondContact O-CA 3.42Å
724	G	90.9	Very high	93.8	Very high	11 Å²	11	70.1 Å²	70.1	11%	0.113	35%	0.349	C	S	.	.	S	Bend	trans	-166.4	161.1	-178.4	0	0	0	0	0	112	W713 E726 F727	W713-G724 VanDerWaalsContact CD1-CA 3.4Å; G724-E726 VanDerWaalsContact C-N 3.35Å; G724-E726 PolarHBondContact O-N 3.27Å; G724-F727 PolarHBondContact O-N 3.41Å
725	P	93.3	Very high	93.8	Very high	53 Å²	53	75.9 Å²	75.9	34%	0.344	37%	0.372	S	S	.	.	H	α-helix	trans	-66	-36.3	-173.5	26.8	-33.6	0	0	0	112.2	T705 W713 F727 V728 R729	T705-P725 HydrophobicContact CG2-CB 3.69Å; W713-P725 HydrophobicContact CD2-CB 4.16Å; W713-P725 HydrophobicContact CE3-CB 4.1Å; W713-P725 HydrophobicContact CH2-CB 4.24Å; W713-P725 HydrophobicContact CH2-CG 4.45Å; W713-P725 HydrophobicContact CZ2-CB 4.31Å; W713-P725 HydrophobicContact CZ2-CG 4.17Å; W713-P725 HydrophobicContact CZ3-CB 4.13Å; P725-F727 PolarHBondContact O-N 2.71Å; P725-V728 WeakPolarHBondContact O-CA 3.22Å; P725-V728 WeakPolarHBondContact O-CB 3.46Å; P725-V728 PolarHBondContact O-N 2.85Å; P725-R729 PolarHBondContact O-N 3.49Å
726	E	93.9	Very high	93.8	Very high	113 Å²	113	78 Å²	78	53%	0.528	38%	0.382	S	S	.	.	H	α-helix	trans	-58	-32	176.2	-64.4	-53.3	138.9	0	0	113.7	G724 K730	G724-E726 VanDerWaalsContact C-N 3.35Å; G724-E726 PolarHBondContact O-N 3.27Å; E726-K730 WeakPolarHBondContact O-CG 3.39Å; E726-K730 PolarHBondContact O-N 2.91Å
727	F	94.6	Very high	93.8	Very high	127 Å²	127	77.2 Å²	77.2	56%	0.557	38%	0.381	S	S	*	.	H	α-helix	trans	-73.9	-34.5	175.5	-64	-79.1	0	0	0	111.6	F722 G724 P725 H731	F722-F727 HydrophobicContact CB-CB 4.08Å; F722-F727 HydrophobicContact CD1-CB 3.81Å; F722-F727 HydrophobicContact CG-CB 4.26Å; G724-F727 PolarHBondContact O-N 3.41Å; P725-F727 PolarHBondContact O-N 2.71Å; F727-H731 WeakPolarHBondContact O-CB 3.37Å; F727-H731 PolarHBondContact O-N 3.19Å
728	V	94.3	Very high	93.9	Very high	0 Å²	0	82.6 Å²	82.6	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-67	-46	172.6	-173.9	0	0	0	0	110.3	T705 W713 C715 F722 P725 K730 H731 I732	T705-V728 HydrophobicContact CG2-CB 3.85Å; T705-V728 HydrophobicContact CG2-CG1 4.12Å; T705-V728 HydrophobicContact CG2-CG2 4.12Å; T705-V728 WeakPolarHBondContact OG1-CG1 3.3Å; W713-V728 HydrophobicContact CB-CG2 3.71Å; C715-V728 HydrophobicContact CB-CG1 3.86Å; F722-V728 HydrophobicContact CB-CG2 3.8Å; F722-V728 HydrophobicContact CD2-CG2 3.7Å; F722-V728 HydrophobicContact CG-CG2 3.93Å; P725-V728 WeakPolarHBondContact O-CA 3.22Å; P725-V728 WeakPolarHBondContact O-CB 3.46Å; P725-V728 PolarHBondContact O-N 2.85Å; V728-K730 PolarHBondContact O-N 2.88Å; V728-H731 WeakPolarHBondContact O-CB 3.43Å; V728-H731 PolarHBondContact O-N 3.46Å; V728-I732 HydrophobicContact CG1-CD1 3.84Å; V728-I732 HydrophobicContact CG1-CG1 4.3Å; V728-I732 WeakPolarHBondContact O-CG1 3.47Å; V728-I732 PolarHBondContact O-N 2.77Å
729	R	94.5	Very high	94	Very high	81 Å²	81	85 Å²	85	31%	0.306	41%	0.41	S	S	.	.	H	α-helix	trans	-52.1	-58	174.1	-178.8	179.3	-167.2	107.2	15.2	111.2	E698 V701 P725 H731 I732 F733	E698-R729 VanDerWaalsContact CD-NH1 3.35Å; E698-R729 IonicContact OE1-CZ 3.03Å; E698-R729 IonicContact OE1-NH1 3.63Å; E698-R729 PolarHBondContact OE1-NH1 3.3Å; E698-R729 IonicContact OE1-NH2 2.74Å; E698-R729 IonicContact OE2-CZ 2.86Å; E698-R729 IonicContact OE2-NH1 3.48Å; E698-R729 PolarHBondContact OE2-NH1 3.04Å; E698-R729 IonicContact OE2-NH2 3.05Å; E698-R729 PolarHBondContact OE2-NH2 3.26Å; V701-R729 HydrophobicContact CG1-CB 4.21Å; V701-R729 HydrophobicContact CG1-CG 4.05Å; P725-R729 PolarHBondContact O-N 3.49Å; R729-H731 VanDerWaalsContact C-N 3.27Å; R729-H731 PolarHBondContact O-N 2.94Å; R729-I732 PolarHBondContact O-N 3.38Å; R729-I732 VanDerWaalsContact O-N 3.14Å; R729-F733 HydrophobicContact CG-CD2 3.97Å; R729-F733 HydrophobicContact CG-CE2 3.96Å; R729-F733 WeakPolarHBondContact O-CD2 3.26Å; R729-F733 PolarHBondContact O-N 3.49Å
730	K	95.1	Very high	94.1	Very high	136 Å²	136	83.5 Å²	83.5	59%	0.591	39%	0.39	S	S	*	.	H	α-helix	trans	-60.2	-35.2	179	-71.3	177.7	-178.3	-178.3	0	112.7	E726 V728 N734	E726-K730 WeakPolarHBondContact O-CG 3.39Å; E726-K730 PolarHBondContact O-N 2.91Å; V728-K730 PolarHBondContact O-N 2.88Å; K730-N734 VanDerWaalsContact O-CB 3.25Å; K730-N734 WeakPolarHBondContact O-CB 3.49Å; K730-N734 PolarHBondContact O-N 3.26Å
731	H	94.6	Very high	94	Very high	26 Å²	26	83.1 Å²	83.1	12%	0.12	39%	0.39	C	S	.	.	H	α-helix	trans	-65.7	-44.3	174	170	66.3	0	0	0	112.5	S718 F722 F727 V728 R729 N734 K735 H736	S718-H731 WeakPolarHBondContact CB-NE2 3.41Å; S718-H731 PolarHBondContact OG-NE2 3.48Å; F722-H731 HydrophobicContact CE1-CB 3.92Å; F722-H731 HydrophobicContact CE2-CB 4.31Å; F722-H731 AromaticContact CE2-CD2 3.66Å; F722-H731 AromaticContact CE2-CG 4Å; F722-H731 HydrophobicContact CZ-CB 3.6Å; F722-H731 AromaticContact CZ-CD2 3.47Å; F722-H731 VanDerWaalsContact CZ-CD2 3.47Å; F722-H731 WeakPolarHBondContact CZ-CD2 3.18Å; F722-H731 AromaticContact CZ-CG 3.34Å; F722-H731 AromaticContact CZ-ND1 3.84Å; F727-H731 WeakPolarHBondContact O-CB 3.37Å; F727-H731 PolarHBondContact O-N 3.19Å; V728-H731 WeakPolarHBondContact O-CB 3.43Å; V728-H731 PolarHBondContact O-N 3.46Å; R729-H731 VanDerWaalsContact C-N 3.27Å; R729-H731 PolarHBondContact O-N 2.94Å; H731-N734 PolarHBondContact O-N 3.38Å; H731-K735 WeakPolarHBondContact O-CB 3.46Å; H731-K735 PolarHBondContact O-N 3.27Å; H731-H736 AromaticContact CD2-NE2 3.74Å; H731-H736 AromaticContact CE1-NE2 3.41Å; H731-H736 PolarHBondContact CE1-NE2 3.29Å; H731-H736 AromaticContact NE2-CD2 3.78Å; H731-H736 AromaticContact NE2-NE2 2.24Å; H731-H736 PolarHBondContact NE2-NE2 3.16Å
732	I	94.8	Very high	94	Very high	0 Å²	0	80 Å²	80	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-60.9	-51.5	176.6	-67.1	168.4	0	0	0	110.4	F700 V701 N704 L717 V728 R729 N734 H736 I740	F700-I732 HydrophobicContact CE1-CG2 4.39Å; V701-I732 HydrophobicContact CG1-CD1 4.44Å; V701-I732 HydrophobicContact CG2-CG2 4.16Å; N704-I732 HydrophobicContact CB-CD1 3.85Å; L717-I732 HydrophobicContact CD1-CG1 4.42Å; V728-I732 HydrophobicContact CG1-CD1 3.84Å; V728-I732 HydrophobicContact CG1-CG1 4.3Å; V728-I732 WeakPolarHBondContact O-CG1 3.47Å; V728-I732 PolarHBondContact O-N 2.77Å; R729-I732 PolarHBondContact O-N 3.38Å; R729-I732 VanDerWaalsContact O-N 3.14Å; I732-N734 VanDerWaalsContact C-N 3.34Å; I732-N734 PolarHBondContact O-N 2.99Å; I732-H736 HydrophobicContact CG2-CB 4.44Å; I732-H736 CarbonylContact O-C 3.27Å; I732-H736 VanDerWaalsContact O-CA 3.3Å; I732-H736 WeakPolarHBondContact O-CA 3.43Å; I732-H736 WeakPolarHBondContact O-CB 3.5Å; I732-H736 PolarHBondContact O-N 3.09Å; I732-I740 HydrophobicContact CG2-CG2 4.02Å
733	F	94.5	Very high	93.9	Very high	74 Å²	74	79.1 Å²	79.1	33%	0.325	38%	0.376	S	S	.	.	H	α-helix	trans	-61.1	-39.1	179.3	-81.2	-81.5	0	0	0	113.3	V697 V701 R729 I740	V697-F733 HydrophobicContact CG1-CE1 4.4Å; V697-F733 HydrophobicContact CG1-CZ 4.13Å; V701-F733 HydrophobicContact CG2-CE2 3.81Å; V701-F733 HydrophobicContact CG2-CZ 4.19Å; R729-F733 HydrophobicContact CG-CD2 3.97Å; R729-F733 HydrophobicContact CG-CE2 3.96Å; R729-F733 WeakPolarHBondContact O-CD2 3.26Å; R729-F733 PolarHBondContact O-N 3.49Å; F733-I740 HydrophobicContact CD1-CD1 3.48Å; F733-I740 VanDerWaalsContact CD1-CD1 3.48Å; F733-I740 HydrophobicContact CE1-CD1 3.83Å; F733-I740 HydrophobicContact CG-CD1 4.4Å
734	N	94.7	Very high	93.9	Very high	127 Å²	127	75.5 Å²	75.5	68%	0.679	36%	0.36	S	S	*	.	H	α-helix	trans	-90	-22.2	-174	-65.8	-3.4	0	0	0	114.9	K730 H731 I732	K730-N734 VanDerWaalsContact O-CB 3.25Å; K730-N734 WeakPolarHBondContact O-CB 3.49Å; K730-N734 PolarHBondContact O-N 3.26Å; H731-N734 PolarHBondContact O-N 3.38Å; I732-N734 VanDerWaalsContact C-N 3.34Å; I732-N734 PolarHBondContact O-N 2.99Å
735	K	94.4	Very high	94	Very high	154 Å²	154	78.1 Å²	78.1	67%	0.67	37%	0.369	S	S	*	.	H	α-helix	trans	-119	-15.1	-176.2	-63.7	-60.3	-176.6	-172.8	0	114.3	H731	H731-K735 WeakPolarHBondContact O-CB 3.46Å; H731-K735 PolarHBondContact O-N 3.27Å
736	H	94.8	Very high	94	Very high	44 Å²	44	78.5 Å²	78.5	20%	0.204	37%	0.366	C	S	.	.			trans	-124.6	37.4	177.9	-60.7	-76.3	0	0	0	110.9	L717 S718 H731 I732 E738 K739 I740	L717-H736 VanDerWaalsContact C-CE1 3.41Å; L717-H736 HydrophobicContact CD1-CB 4.29Å; L717-H736 PolarHBondContact O-CE1 3.4Å; S718-H736 WeakPolarHBondContact CB-NE2 3.36Å; S718-H736 PolarHBondContact OG-NE2 2.93Å; H731-H736 AromaticContact CD2-NE2 3.74Å; H731-H736 AromaticContact CE1-NE2 3.41Å; H731-H736 PolarHBondContact CE1-NE2 3.29Å; H731-H736 AromaticContact NE2-CD2 3.78Å; H731-H736 AromaticContact NE2-NE2 2.24Å; H731-H736 PolarHBondContact NE2-NE2 3.16Å; I732-H736 HydrophobicContact CG2-CB 4.44Å; I732-H736 CarbonylContact O-C 3.27Å; I732-H736 VanDerWaalsContact O-CA 3.3Å; I732-H736 WeakPolarHBondContact O-CA 3.43Å; I732-H736 WeakPolarHBondContact O-CB 3.5Å; I732-H736 PolarHBondContact O-N 3.09Å; H736-E738 VanDerWaalsContact C-N 3.26Å; H736-E738 PolarHBondContact O-N 3Å; H736-K739 HydrophobicContact CB-CB 4.26Å; H736-K739 PolarHBondContact O-N 2.81Å; H736-I740 PolarHBondContact O-N 3.08Å
737	A	93.4	Very high	94	Very high	44 Å²	44	73.3 Å²	73.3	36%	0.364	34%	0.342	S	S	.	.	H	α-helix	trans	-53.8	-42.4	177.5	0	0	0	0	0	112.1	K739 I740 E741	A737-K739 VanDerWaalsContact C-N 3.28Å; A737-K739 PolarHBondContact O-N 3.15Å; A737-I740 WeakPolarHBondContact O-CG1 3.45Å; A737-I740 PolarHBondContact O-N 3.44Å; A737-E741 PolarHBondContact O-N 3.12Å; A737-E741 VanDerWaalsContact O-N 3.08Å
738	E	93.3	Very high	93.9	Very high	165 Å²	165	68.8 Å²	68.8	77%	0.771	33%	0.328	S	S	*	.	H	α-helix	trans	-58.4	-37.9	175.6	-61.7	173.5	-178.6	0	0	112.4	H736 E741 E742	H736-E738 VanDerWaalsContact C-N 3.26Å; H736-E738 PolarHBondContact O-N 3Å; E738-E741 PolarHBondContact O-N 3.4Å; E738-E742 WeakPolarHBondContact O-CB 3.49Å; E738-E742 PolarHBondContact O-N 3.48Å
739	K	93.6	Very high	93.9	Very high	88 Å²	88	68.8 Å²	68.8	38%	0.383	33%	0.328	S	S	.	.	H	α-helix	trans	-74.4	-35.8	-179.2	-70.2	-75.2	157.1	-160.8	0	112.6	F700 H736 A737 E741 E742 V743	F700-K739 HydrophobicContact CE1-CB 4.33Å; F700-K739 HydrophobicContact CZ-CB 4.14Å; H736-K739 HydrophobicContact CB-CB 4.26Å; H736-K739 PolarHBondContact O-N 2.81Å; A737-K739 VanDerWaalsContact C-N 3.28Å; A737-K739 PolarHBondContact O-N 3.15Å; K739-E741 VanDerWaalsContact C-N 3.33Å; K739-E742 VanDerWaalsContact CD-OE2 3.29Å; K739-E742 WeakPolarHBondContact CD-OE2 3.36Å; K739-E742 WeakPolarHBondContact CE-OE2 3.43Å; K739-E742 IonicContact NZ-OE1 3.13Å; K739-E742 IonicContact NZ-OE2 3.33Å; K739-E742 PolarHBondContact NZ-OE2 3.45Å; K739-E742 PolarHBondContact O-N 3.27Å; K739-V743 WeakPolarHBondContact O-CG2 3.44Å; K739-V743 PolarHBondContact O-N 2.99Å
740	I	93.6	Very high	93.8	Very high	19 Å²	19	65.6 Å²	65.6	10%	0.097	32%	0.316	C	S	.	.	H	α-helix	trans	-70.7	-31.2	173.6	59.8	171.5	0	0	0	111.8	V697 F700 I732 F733 H736 A737 K744	V697-I740 HydrophobicContact CG1-CB 4.39Å; V697-I740 HydrophobicContact CG1-CG2 4.29Å; F700-I740 HydrophobicContact CD1-CG2 4.36Å; F700-I740 HydrophobicContact CE1-CG2 4.4Å; I732-I740 HydrophobicContact CG2-CG2 4.02Å; F733-I740 HydrophobicContact CD1-CD1 3.48Å; F733-I740 VanDerWaalsContact CD1-CD1 3.48Å; F733-I740 HydrophobicContact CE1-CD1 3.83Å; F733-I740 HydrophobicContact CG-CD1 4.4Å; H736-I740 PolarHBondContact O-N 3.08Å; A737-I740 WeakPolarHBondContact O-CG1 3.45Å; A737-I740 PolarHBondContact O-N 3.44Å; I740-K744 WeakPolarHBondContact O-CG 3.41Å; I740-K744 PolarHBondContact O-N 3.42Å; I740-K744 VanDerWaalsContact O-N 3.14Å
741	E	93.3	Very high	93.7	Very high	113 Å²	113	59.9 Å²	59.9	53%	0.528	29%	0.292	S	S	.	.	H	α-helix	trans	-69.5	-41.1	171.2	-72.8	-173.8	-171.3	0	0	112.1	A737 E738 K739 V743 K744 K745	A737-E741 PolarHBondContact O-N 3.12Å; A737-E741 VanDerWaalsContact O-N 3.08Å; E738-E741 PolarHBondContact O-N 3.4Å; K739-E741 VanDerWaalsContact C-N 3.33Å; E741-V743 VanDerWaalsContact C-N 3.33Å; E741-V743 PolarHBondContact O-N 2.99Å; E741-K744 PolarHBondContact O-N 2.91Å; E741-K744 VanDerWaalsContact O-N 3.15Å; E741-K745 WeakPolarHBondContact O-CG 3.31Å; E741-K745 PolarHBondContact O-N 3.41Å
742	E	93.5	Very high	93.6	Very high	92 Å²	92	62.1 Å²	62.1	43%	0.43	31%	0.305	S	S	.	.	H	α-helix	trans	-58.6	-42.4	173.7	-169	176.5	-169.4	0	0	111.7	E738 K739 K744 K745 E746	E738-E742 WeakPolarHBondContact O-CB 3.49Å; E738-E742 PolarHBondContact O-N 3.48Å; K739-E742 VanDerWaalsContact CD-OE2 3.29Å; K739-E742 WeakPolarHBondContact CD-OE2 3.36Å; K739-E742 WeakPolarHBondContact CE-OE2 3.43Å; K739-E742 IonicContact NZ-OE1 3.13Å; K739-E742 IonicContact NZ-OE2 3.33Å; K739-E742 PolarHBondContact NZ-OE2 3.45Å; K739-E742 PolarHBondContact O-N 3.27Å; E742-K744 PolarHBondContact O-N 3.33Å; E742-K745 PolarHBondContact O-N 3.45Å; E742-E746 PolarHBondContact O-N 3.33Å
743	V	94.2	Very high	93.4	Very high	24 Å²	24	62.2 Å²	62.2	15%	0.145	31%	0.306	C	S	.	.	H	α-helix	trans	-61.2	-43.9	172.9	171.8	0	0	0	0	111.8	E696 V697 F700 K739 E741 K745 E746 V747	E696-V743 HydrophobicContact CG-CG1 4.41Å; V697-V743 HydrophobicContact CG2-CB 4.34Å; V697-V743 HydrophobicContact CG2-CG1 3.9Å; F700-V743 HydrophobicContact CB-CG1 4.38Å; F700-V743 HydrophobicContact CB-CG2 4.18Å; F700-V743 HydrophobicContact CD1-CG2 4.17Å; F700-V743 HydrophobicContact CD2-CG2 3.65Å; F700-V743 HydrophobicContact CE1-CG2 4.49Å; F700-V743 HydrophobicContact CE2-CG2 4Å; F700-V743 HydrophobicContact CG-CG2 3.73Å; F700-V743 HydrophobicContact CZ-CG2 4.41Å; K739-V743 WeakPolarHBondContact O-CG2 3.44Å; K739-V743 PolarHBondContact O-N 2.99Å; E741-V743 VanDerWaalsContact C-N 3.33Å; E741-V743 PolarHBondContact O-N 2.99Å; V743-K745 VanDerWaalsContact C-N 3.3Å; V743-K745 PolarHBondContact O-N 3.16Å; V743-E746 PolarHBondContact O-N 3.46Å; V743-V747 WeakPolarHBondContact O-CG2 3.47Å; V743-V747 PolarHBondContact O-N 3.46Å
744	K	93.6	Very high	93.3	Very high	94 Å²	94	58.7 Å²	58.7	41%	0.409	29%	0.29	S	S	.	.	H	α-helix	trans	-62.6	-36.8	175.2	-71.6	179.3	178.4	-171.9	0	112	P693 V697 I740 E741 E742 V747 A748	P693-K744 HydrophobicContact CB-CG 4.49Å; V697-K744 HydrophobicContact CG2-CD 4.48Å; V697-K744 HydrophobicContact CG2-CG 3.72Å; I740-K744 WeakPolarHBondContact O-CG 3.41Å; I740-K744 PolarHBondContact O-N 3.42Å; I740-K744 VanDerWaalsContact O-N 3.14Å; E741-K744 PolarHBondContact O-N 2.91Å; E741-K744 VanDerWaalsContact O-N 3.15Å; E742-K744 PolarHBondContact O-N 3.33Å; K744-V747 PolarHBondContact O-N 3.37Å; K744-A748 WeakPolarHBondContact O-CB 3.45Å; K744-A748 PolarHBondContact O-N 3.4Å
745	K	92.8	Very high	93.1	Very high	67 Å²	67	54.4 Å²	54.4	29%	0.291	27%	0.269	S	S	.	.	H	α-helix	trans	-68.5	-42.3	176.4	-72.2	175.4	178.8	-171.6	0	112.3	P203 D204 E741 E742 V743 A748 F749	P203-K745 HydrophobicContact CG-CB 4.03Å; P203-K745 HydrophobicContact CG-CG 4.01Å; D204-K745 WeakPolarHBondContact OD1-CE 3.42Å; D204-K745 IonicContact OD1-NZ 2.76Å; D204-K745 PolarHBondContact OD1-NZ 3.09Å; D204-K745 WeakPolarHBondContact OD2-CE 3.22Å; D204-K745 IonicContact OD2-NZ 3.28Å; D204-K745 PolarHBondContact OD2-NZ 3.38Å; E741-K745 WeakPolarHBondContact O-CG 3.31Å; E741-K745 PolarHBondContact O-N 3.41Å; E742-K745 PolarHBondContact O-N 3.45Å; V743-K745 VanDerWaalsContact C-N 3.3Å; V743-K745 PolarHBondContact O-N 3.16Å; K745-A748 PolarHBondContact O-N 3.46Å; K745-F749 VanDerWaalsContact O-CB 3.22Å; K745-F749 WeakPolarHBondContact O-CB 3.49Å; K745-F749 PolarHBondContact O-N 3.43Å
746	E	92.3	Very high	92.8	Very high	60 Å²	60	48.2 Å²	48.2	28%	0.28	24%	0.242	S	C	.	.	H	α-helix	trans	-61.7	-41.5	172.7	-79.6	-74.4	175.6	0	0	111.9	E742 V743 F749 F750	E742-E746 PolarHBondContact O-N 3.33Å; V743-E746 PolarHBondContact O-N 3.46Å; E746-F749 WeakPolarHBondContact O-CB 3.49Å; E746-F749 PolarHBondContact O-N 3.43Å; E746-F750 PolarHBondContact O-N 2.85Å
747	V	93.6	Very high	92.3	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.024	25%	0.248	C	C	.	.	H	α-helix	trans	-63	-45.8	173	170.7	0	0	0	0	111.6	K691 P693 E696 V743 K744 F749 F750 N751	K691-V747 HydrophobicContact CB-CG1 3.87Å; P693-V747 HydrophobicContact CB-CG1 4.24Å; P693-V747 HydrophobicContact CG-CG1 3.97Å; E696-V747 HydrophobicContact CB-CG2 3.56Å; E696-V747 HydrophobicContact CG-CG2 3.71Å; V743-V747 WeakPolarHBondContact O-CG2 3.47Å; V743-V747 PolarHBondContact O-N 3.46Å; K744-V747 PolarHBondContact O-N 3.37Å; V747-F749 VanDerWaalsContact C-N 3.33Å; V747-F749 PolarHBondContact O-N 2.92Å; V747-F750 PolarHBondContact O-N 2.86Å; V747-N751 VanDerWaalsContact O-CB 3.31Å; V747-N751 WeakPolarHBondContact O-CB 3.44Å; V747-N751 VanDerWaalsContact O-CG 3.22Å; V747-N751 PolarHBondContact O-N 3.22Å; V747-N751 PolarHBondContact O-ND2 3.39Å
748	A	93.1	Very high	91.9	Very high	32 Å²	32	51.7 Å²	51.7	26%	0.264	26%	0.256	S	S	.	.	H	α-helix	trans	-62.8	-39.9	176.7	0	0	0	0	0	111.9	P203 K744 K745 N751 N752	P203-A748 HydrophobicContact CG-CB 4.32Å; K744-A748 WeakPolarHBondContact O-CB 3.45Å; K744-A748 PolarHBondContact O-N 3.4Å; K745-A748 PolarHBondContact O-N 3.46Å; A748-N751 PolarHBondContact O-N 3.38Å; A748-N752 VanDerWaalsContact O-CB 3.28Å; A748-N752 WeakPolarHBondContact O-CB 3.49Å; A748-N752 PolarHBondContact O-N 2.77Å; A748-N752 PolarHBondContact O-ND2 3.41Å; A748-N752 PolarHBondContact O-OD1 3Å
749	F	93.6	Very high	91.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.2	-48.5	176.1	178.2	-157.2	0	0	0	111.7	F188 K192 F197 R198 H202 K745 E746 V747 N752 F753	F188-F749 HydrophobicContact CE2-CB 4.5Å; F188-F749 AromaticContact CE2-CD1 3.76Å; F188-F749 HydrophobicContact CE2-CD1 3.76Å; F188-F749 AromaticContact CE2-CD2 3.97Å; F188-F749 HydrophobicContact CE2-CD2 3.97Å; F188-F749 AromaticContact CE2-CE1 3.94Å; F188-F749 HydrophobicContact CE2-CE1 3.94Å; F188-F749 HydrophobicContact CE2-CE2 4.14Å; F188-F749 AromaticContact CE2-CG 3.79Å; F188-F749 HydrophobicContact CE2-CG 3.79Å; F188-F749 HydrophobicContact CE2-CZ 4.14Å; F188-F749 AromaticContact CZ-CD1 3.56Å; F188-F749 HydrophobicContact CZ-CD1 3.56Å; F188-F749 AromaticContact CZ-CE1 3.88Å; F188-F749 HydrophobicContact CZ-CE1 3.88Å; F188-F749 AromaticContact CZ-CG 3.97Å; F188-F749 HydrophobicContact CZ-CG 3.97Å; K192-F749 HydrophobicContact CB-CE1 3.82Å; K192-F749 HydrophobicContact CB-CZ 4.2Å; K192-F749 WeakPolarHBondContact O-CE1 3.34Å; F197-F749 AromaticContact CD1-CE2 3.69Å; F197-F749 HydrophobicContact CD1-CE2 3.69Å; F197-F749 AromaticContact CD1-CZ 3.58Å; F197-F749 HydrophobicContact CD1-CZ 3.58Å; F197-F749 AromaticContact CE1-CE2 3.63Å; F197-F749 HydrophobicContact CE1-CE2 3.63Å; F197-F749 AromaticContact CE1-CZ 3.72Å; F197-F749 HydrophobicContact CE1-CZ 3.72Å; R198-F749 HydrophobicContact CB-CZ 4.32Å; R198-F749 HydrophobicContact CG-CE1 4.29Å; R198-F749 HydrophobicContact CG-CZ 3.82Å; H202-F749 HydrophobicContact CB-CD2 3.97Å; H202-F749 HydrophobicContact CB-CE2 4.13Å; H202-F749 HydrophobicContact CB-CG 4.16Å; H202-F749 HydrophobicContact CB-CZ 4.46Å; H202-F749 AromaticContact CD2-CD1 3.93Å; K745-F749 VanDerWaalsContact O-CB 3.22Å; K745-F749 WeakPolarHBondContact O-CB 3.49Å; K745-F749 PolarHBondContact O-N 3.43Å; E746-F749 WeakPolarHBondContact O-CB 3.49Å; E746-F749 PolarHBondContact O-N 3.43Å; V747-F749 VanDerWaalsContact C-N 3.33Å; V747-F749 PolarHBondContact O-N 2.92Å; F749-N752 PolarHBondContact O-N 2.91Å; F749-F753 PolarHBondContact O-N 3.45Å
750	F	92.9	Very high	91.2	Very high	14 Å²	14	44 Å²	44	6%	0.061	22%	0.22	C	C	.	.	H	α-helix	trans	-61.8	-46.6	174.4	-178.2	-104.7	0	0	0	112.1	F188 K691 E746 V747 N752 F753 L754	F188-F750 HydrophobicContact CB-CD2 3.99Å; F188-F750 HydrophobicContact CB-CE2 4.11Å; F188-F750 AromaticContact CD1-CD2 3.88Å; F188-F750 HydrophobicContact CD1-CD2 3.88Å; F188-F750 HydrophobicContact CD2-CB 4.4Å; F188-F750 AromaticContact CD2-CD2 3.78Å; F188-F750 HydrophobicContact CD2-CD2 3.78Å; F188-F750 HydrophobicContact CE1-CB 4.42Å; F188-F750 HydrophobicContact CE1-CD2 4.29Å; F188-F750 HydrophobicContact CE2-CB 4Å; F188-F750 HydrophobicContact CE2-CD2 4.21Å; F188-F750 AromaticContact CG-CD2 3.6Å; F188-F750 HydrophobicContact CG-CD2 3.6Å; F188-F750 HydrophobicContact CG-CE2 4.22Å; F188-F750 HydrophobicContact CZ-CB 4.01Å; F188-F750 HydrophobicContact CZ-CD2 4.44Å; K691-F750 HydrophobicContact CD-CD1 4Å; K691-F750 HydrophobicContact CD-CE1 4.4Å; K691-F750 HydrophobicContact CG-CD1 4Å; K691-F750 HydrophobicContact CG-CE1 4.17Å; E746-F750 PolarHBondContact O-N 2.85Å; V747-F750 PolarHBondContact O-N 2.86Å; F750-N752 PolarHBondContact O-N 2.94Å; F750-F753 PolarHBondContact O-N 3.04Å; F750-L754 HydrophobicContact CD1-CD1 4.42Å; F750-L754 HydrophobicContact CE1-CD1 3.61Å; F750-L754 HydrophobicContact CZ-CD1 3.94Å; F750-L754 WeakPolarHBondContact O-CB 3.29Å; F750-L754 PolarHBondContact O-N 3.12Å
751	N	92.6	Very high	90.7	Very high	16 Å²	16	45.8 Å²	45.8	9%	0.086	24%	0.237	C	C	.	.	H	α-helix	trans	-64.6	-37.3	179.7	-74.1	-18.4	0	0	0	112.8	K691 V747 A748 F753 L754 T755	K691-N751 PolarHBondContact N-OD1 2.94Å; K691-N751 PolarHBondContact O-ND2 3.1Å; V747-N751 VanDerWaalsContact O-CB 3.31Å; V747-N751 WeakPolarHBondContact O-CB 3.44Å; V747-N751 VanDerWaalsContact O-CG 3.22Å; V747-N751 PolarHBondContact O-N 3.22Å; V747-N751 PolarHBondContact O-ND2 3.39Å; A748-N751 PolarHBondContact O-N 3.38Å; N751-F753 VanDerWaalsContact C-N 3.34Å; N751-L754 PolarHBondContact O-N 3.43Å; N751-T755 VanDerWaalsContact O-CB 3.27Å; N751-T755 WeakPolarHBondContact O-CB 3.46Å; N751-T755 PolarHBondContact O-N 2.94Å; N751-T755 PolarHBondContact O-OG1 3.46Å
752	N	92.3	Very high	90	Very high	74 Å²	74	44.7 Å²	44.7	40%	0.396	24%	0.235	S	C	.	.	H	α-helix	trans	-64.4	-38.9	175.5	-74	-19.3	0	0	0	111.7	Y201 A748 F749 F750	Y201-N752 HydrophobicContact CD1-CB 4.24Å; Y201-N752 WeakPolarHBondContact CD1-O 3.46Å; Y201-N752 WeakPolarHBondContact O-CB 3.34Å; Y201-N752 PolarHBondContact O-ND2 3.15Å; A748-N752 VanDerWaalsContact O-CB 3.28Å; A748-N752 WeakPolarHBondContact O-CB 3.49Å; A748-N752 PolarHBondContact O-N 2.77Å; A748-N752 PolarHBondContact O-ND2 3.41Å; A748-N752 PolarHBondContact O-OD1 3Å; F749-N752 PolarHBondContact O-N 2.91Å; F750-N752 PolarHBondContact O-N 2.94Å
753	F	92.4	Very high	89.3	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.009	24%	0.235	C	C	.	.	H	α-helix	trans	-67.8	-43.7	172.6	162.3	-112.7	0	0	0	111.9	M184 F187 F188 F197 Y201 F749 F750 N751 D756 R759	M184-F753 HydrophobicContact CB-CE1 4.27Å; M184-F753 HydrophobicContact CE-CD1 4.35Å; M184-F753 HydrophobicContact CE-CE1 3.85Å; M184-F753 HydrophobicContact CE-CZ 4.21Å; F187-F753 HydrophobicContact CD1-CE1 4.37Å; F187-F753 AromaticContact CD1-CE2 3.89Å; F187-F753 HydrophobicContact CD1-CE2 3.89Å; F187-F753 AromaticContact CD1-CZ 3.53Å; F187-F753 HydrophobicContact CD1-CZ 3.53Å; F187-F753 AromaticContact CE1-CE2 3.99Å; F187-F753 HydrophobicContact CE1-CE2 3.99Å; F187-F753 HydrophobicContact CE1-CZ 4.12Å; F187-F753 HydrophobicContact CG-CZ 4.4Å; F188-F753 HydrophobicContact CB-CD1 4.28Å; F188-F753 HydrophobicContact CB-CE1 4.23Å; F188-F753 HydrophobicContact CD2-CD1 4.17Å; F197-F753 HydrophobicContact CE2-CB 4.49Å; F197-F753 AromaticContact CE2-CD2 3.51Å; F197-F753 HydrophobicContact CE2-CD2 3.51Å; F197-F753 AromaticContact CE2-CE2 3.87Å; F197-F753 HydrophobicContact CE2-CE2 3.87Å; F197-F753 HydrophobicContact CE2-CG 4.04Å; F197-F753 HydrophobicContact CZ-CB 3.92Å; F197-F753 HydrophobicContact CZ-CD1 4.18Å; F197-F753 AromaticContact CZ-CD2 3.61Å; F197-F753 HydrophobicContact CZ-CD2 3.61Å; F197-F753 HydrophobicContact CZ-CE2 4.14Å; F197-F753 AromaticContact CZ-CG 3.63Å; F197-F753 HydrophobicContact CZ-CG 3.63Å; Y201-F753 HydrophobicContact CD1-CB 4.24Å; Y201-F753 HydrophobicContact CD2-CB 4.13Å; Y201-F753 HydrophobicContact CD2-CD2 4.44Å; Y201-F753 HydrophobicContact CE2-CB 4.47Å; Y201-F753 HydrophobicContact CE2-CD2 4.04Å; Y201-F753 HydrophobicContact CG-CB 4.01Å; F749-F753 PolarHBondContact O-N 3.45Å; F750-F753 PolarHBondContact O-N 3.04Å; N751-F753 VanDerWaalsContact C-N 3.34Å; F753-D756 PolarHBondContact O-N 3.26Å; F753-R759 HydrophobicContact CD2-CB 4.25Å; F753-R759 HydrophobicContact CE2-CB 3.97Å
754	L	90.8	Very high	87.9	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.4	-40.9	-177.5	-172.2	154.8	0	0	0	112.2	M184 L680 A685 M688 R690 F750 N751 D756	M184-L754 HydrophobicContact CE-CB 4.14Å; M184-L754 HydrophobicContact CE-CG 3.95Å; L680-L754 VanDerWaalsContact CD1-O 3.23Å; L680-L754 WeakPolarHBondContact CD1-O 3.38Å; A685-L754 HydrophobicContact CB-CD2 3.91Å; M688-L754 HydrophobicContact CB-CD1 4.44Å; M688-L754 HydrophobicContact CB-CD2 4.11Å; M688-L754 HydrophobicContact CB-CG 4.38Å; M688-L754 WeakPolarHBondContact O-CD1 3.43Å; R690-L754 HydrophobicContact CB-CD2 4.46Å; F750-L754 HydrophobicContact CD1-CD1 4.42Å; F750-L754 HydrophobicContact CE1-CD1 3.61Å; F750-L754 HydrophobicContact CZ-CD1 3.94Å; F750-L754 WeakPolarHBondContact O-CB 3.29Å; F750-L754 PolarHBondContact O-N 3.12Å; N751-L754 PolarHBondContact O-N 3.43Å; L754-D756 VanDerWaalsContact C-N 3.28Å; L754-D756 PolarHBondContact O-N 3.31Å
755	T	90.6	Very high	86.1	Confident	37 Å²	37	53.7 Å²	53.7	23%	0.227	29%	0.286	C	S	.	.	H	α-helix	trans	-71.9	-20.2	-177.4	-55.8	0	0	0	0	112.8	S679 L680 N751 A757	S679-T755 CarbonylContact C-O 3.57Å; S679-T755 VanDerWaalsContact CA-O 3.32Å; S679-T755 WeakPolarHBondContact CA-O 3.38Å; L680-T755 PolarHBondContact N-O 3.35Å; N751-T755 VanDerWaalsContact O-CB 3.27Å; N751-T755 WeakPolarHBondContact O-CB 3.46Å; N751-T755 PolarHBondContact O-N 2.94Å; N751-T755 PolarHBondContact O-OG1 3.46Å; T755-A757 PolarHBondContact O-N 3.16Å
756	D	89.2	Confident	83.9	Confident	23 Å²	23	58.7 Å²	58.7	12%	0.123	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-69.1	113.8	177.6	-175.4	0.6	0	0	0	111.2	K200 Y201 F753 L754 K758 R759	K200-D756 IonicContact NZ-OD2 3.68Å; Y201-D756 HydrophobicContact CE1-CB 3.89Å; Y201-D756 WeakPolarHBondContact CE1-OD2 3.31Å; Y201-D756 PolarHBondContact OH-OD2 2.82Å; F753-D756 PolarHBondContact O-N 3.26Å; L754-D756 VanDerWaalsContact C-N 3.28Å; L754-D756 PolarHBondContact O-N 3.31Å; D756-K758 VanDerWaalsContact C-N 3.29Å; D756-K758 PolarHBondContact O-N 3.32Å; D756-K758 VanDerWaalsContact OD1-C 3.27Å; D756-K758 WeakPolarHBondContact OD1-CA 3.41Å; D756-K758 PolarHBondContact OD1-N 3.15Å; D756-R759 HydrophobicContact CB-CB 4.11Å; D756-R759 WeakPolarHBondContact O-CB 3.43Å; D756-R759 WeakPolarHBondContact O-CG 3.16Å; D756-R759 PolarHBondContact O-N 3.01Å; D756-R759 PolarHBondContact O-NH1 3Å; D756-R759 PolarHBondContact OD1-N 2.89Å
757	A	84.5	Confident	81.6	Confident	38 Å²	38	61.2 Å²	61.2	31%	0.314	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-29.6	176.7	0	0	0	0	0	112	E678 L680 T755	E678-A757 HydrophobicContact CB-CB 3.77Å; E678-A757 VanDerWaalsContact O-CB 3.27Å; E678-A757 WeakPolarHBondContact O-CB 3.48Å; E678-A757 PolarHBondContact O-N 2.66Å; E678-A757 VanDerWaalsContact O-N 3.08Å; L680-A757 HydrophobicContact CD2-CB 4.06Å; T755-A757 PolarHBondContact O-N 3.16Å
758	K	84.3	Confident	79	Confident	123 Å²	123	65.7 Å²	65.7	54%	0.535	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	37.2	178.3	-67.1	175.6	-175.7	162.2	0	111.1	E678 D756	E678-K758 VanDerWaalsContact CD-CE 3.47Å; E678-K758 VanDerWaalsContact OE1-CE 3.32Å; E678-K758 WeakPolarHBondContact OE1-CE 3.21Å; E678-K758 IonicContact OE1-NZ 2.91Å; E678-K758 PolarHBondContact OE1-NZ 2.65Å; E678-K758 WeakPolarHBondContact OE2-CE 3.29Å; E678-K758 IonicContact OE2-NZ 3.24Å; E678-K758 PolarHBondContact OE2-NZ 3.45Å; D756-K758 VanDerWaalsContact C-N 3.29Å; D756-K758 PolarHBondContact O-N 3.32Å; D756-K758 VanDerWaalsContact OD1-C 3.27Å; D756-K758 WeakPolarHBondContact OD1-CA 3.41Å; D756-K758 PolarHBondContact OD1-N 3.15Å
759	R	85.3	Confident	76.5	Confident	73 Å²	73	72.9 Å²	72.9	28%	0.275	40%	0.395	S	S	.	.			trans	-60.8	144.8	177.6	60.5	-172.4	172.6	-78.2	-1.2	112.7	F753 D756 A761	F753-R759 HydrophobicContact CD2-CB 4.25Å; F753-R759 HydrophobicContact CE2-CB 3.97Å; D756-R759 HydrophobicContact CB-CB 4.11Å; D756-R759 WeakPolarHBondContact O-CB 3.43Å; D756-R759 WeakPolarHBondContact O-CG 3.16Å; D756-R759 PolarHBondContact O-N 3.01Å; D756-R759 PolarHBondContact O-NH1 3Å; D756-R759 PolarHBondContact OD1-N 2.89Å; R759-A761 PolarHBondContact O-N 2.94Å
760	P	86.3	Confident	74	Confident	19 Å²	19	78.1 Å²	78.1	12%	0.123	43%	0.429	C	S	.	.			trans	-57.2	134.5	167.8	-19.2	28.1	0	0	0	110.8	F187 W196 Y201 F461	F187-P760 HydrophobicContact CE1-CB 4.36Å; F187-P760 HydrophobicContact CZ-CB 4.08Å; W196-P760 HydrophobicContact CH2-CB 3.8Å; W196-P760 HydrophobicContact CH2-CG 3.86Å; W196-P760 HydrophobicContact CZ3-CB 4.11Å; W196-P760 HydrophobicContact CZ3-CG 3.67Å; Y201-P760 WeakPolarHBondContact OH-CD 3.45Å; F461-P760 HydrophobicContact CE1-CB 3.88Å; F461-P760 HydrophobicContact CZ-CB 4.41Å
761	A	83.4	Confident	71.9	Confident	56 Å²	56	83.7 Å²	83.7	46%	0.463	47%	0.467	S	S	.	.			trans	-144.9	158	172.5	0	0	0	0	0	109.2	P457 R759	P457-A761 WeakPolarHBondContact CB-O 3.2Å; R759-A761 PolarHBondContact O-N 2.94Å
762	L	79.8	Confident	69.8	Low	90 Å²	90	85.9 Å²	85.9	47%	0.471	49%	0.493	S	S	.	.			trans	-65	135.3	168.2	-70.2	169.2	0	0	0	108.9	P146 F461 E764	P146-L762 HydrophobicContact CG-CD1 4.46Å; F461-L762 HydrophobicContact CE2-CD2 3.79Å; F461-L762 HydrophobicContact CE2-CG 4.38Å; L762-E764 PolarHBondContact O-N 3.07Å
763	P	77.1	Confident	67.5	Low	67 Å²	67	88.5 Å²	88.5	44%	0.435	51%	0.514	S	S	.	.			trans	-65	133.4	177.4	27.5	-32.8	0	0	0	109.5	I765	P763-I765 PolarHBondContact O-N 2.87Å
764	E	65.3	Low	65	Low	172 Å²	172	93 Å²	93	80%	0.804	55%	0.551	S	S	*	*			trans	-60.3	109	176.1	-68.6	-175	165.6	0	0	109.9	L762 K766	L762-E764 PolarHBondContact O-N 3.07Å; E764-K766 PolarHBondContact O-N 3.04Å
765	I	57.1	Low	62.5	Low	161 Å²	161	101.7 Å²	101.7	83%	0.826	59%	0.592	S	S	*	*			trans	-70.8	87.7	171.6	-56.4	173.3	0	0	0	106.8	P763 P767	P763-I765 PolarHBondContact O-N 2.87Å; I765-P767 VanDerWaalsContact O-CD 3.32Å; I765-P767 WeakPolarHBondContact O-CD 3.43Å; I765-P767 VanDerWaalsContact O-N 3.13Å
766	K	45.9	Very low	60	Low	171 Å²	171	108 Å²	108	74%	0.743	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-57.7	117.4	168.6	-69.2	-177.5	179.1	178.5	0	107.3	E764 A768	E764-K766 PolarHBondContact O-N 3.04Å; K766-A768 PolarHBondContact O-N 2.88Å
767	P	43.8	Very low	57.6	Low	114 Å²	114	114.1 Å²	114.1	74%	0.74	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-59.6	131.4	177.4	24.2	-32.4	0	0	0	108.4	I765 Q769	I765-P767 VanDerWaalsContact O-CD 3.32Å; I765-P767 WeakPolarHBondContact O-CD 3.43Å; I765-P767 VanDerWaalsContact O-N 3.13Å; P767-Q769 PolarHBondContact O-N 3.41Å; P767-Q769 VanDerWaalsContact O-N 3.15Å
768	A	38.7	Very low	55.2	Low	98 Å²	98	117.5 Å²	117.5	81%	0.81	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-56.8	122.6	175.8	0	0	0	0	0	108.4	K766	K766-A768 PolarHBondContact O-N 2.88Å
769	Q	39.8	Very low	52.9	Low	183 Å²	183	118.2 Å²	118.2	86%	0.855	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-62	135.9	-179.3	-71.4	-160.8	-16	0	0	109.6	P767	P767-Q769 PolarHBondContact O-N 3.41Å; P767-Q769 VanDerWaalsContact O-N 3.15Å
770	P	42.8	Very low	50.9	Low	110 Å²	110	118.3 Å²	118.3	71%	0.714	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-61.6	143.3	174.7	26.8	-33.8	0	0	0	109.5	G772	P770-G772 PolarHBondContact O-N 3Å
771	P	48.2	Very low	48.4	Very low	131 Å²	131	125.4 Å²	125.4	85%	0.851	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-59.7	125.2	177.8	24.7	-33.1	0	0	0	109.9
772	G	48.8	Very low	46.1	Very low	61 Å²	61	129.1 Å²	129.1	63%	0.629	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-62.7	158.9	179.7	0	0	0	0	0	112.8	P770 A774	P770-G772 PolarHBondContact O-N 3Å; G772-A774 PolarHBondContact O-N 2.86Å
773	P	44.2	Very low	44	Very low	130 Å²	130	131 Å²	131	84%	0.844	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-62.9	122.5	-175.3	25.8	-34.1	0	0	0	111.3	Q775	P773-Q775 PolarHBondContact O-N 2.99Å
774	A	39.2	Very low	41.8	Very low	95 Å²	95	131.2 Å²	131.2	79%	0.785	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-63.8	125.1	178.8	0	0	0	0	0	111	G772 I776	G772-A774 PolarHBondContact O-N 2.86Å; A774-I776 PolarHBondContact O-N 3.16Å
775	Q	37.8	Very low	40.3	Very low	184 Å²	184	131 Å²	131	86%	0.86	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-70.4	127.3	171.8	-70.1	-173.7	-8.6	0	0	110	P773 L777	P773-Q775 PolarHBondContact O-N 2.99Å; Q775-L777 PolarHBondContact O-N 3.2Å
776	I	38.6	Very low	39.4	Very low	168 Å²	168	129.1 Å²	129.1	86%	0.862	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-73.5	117.4	178	-60.7	170	0	0	0	108.6	A774	A774-I776 PolarHBondContact O-N 3.16Å
777	L	37.8	Very low	38.8	Very low	152 Å²	152	131.2 Å²	131.2	80%	0.796	81%	0.805	S	S	*	*			trans	-106.8	149.9	168.9	-78.3	170.2	0	0	0	110.4	Q775	Q775-L777 PolarHBondContact O-N 3.2Å
778	P	34.8	Very low	38.4	Very low	110 Å²	110	131.4 Å²	131.4	71%	0.714	81%	0.806	S	S	*	*			trans	-70.2	153.5	-170.2	27.9	-35.1	0	0	0	113.2	G780	P778-G780 PolarHBondContact O-N 3.3Å
779	P	36.8	Very low	37.9	Very low	138 Å²	138	135.9 Å²	135.9	90%	0.896	81%	0.81	S	S	*	*	S	Bend	trans	-78.1	121.3	-168.9	30.6	-34.5	0	0	0	111.9
780	G	41.7	Very low	37.5	Very low	74 Å²	74	135.3 Å²	135.3	76%	0.763	81%	0.808	S	S	*	*			trans	168.3	14.7	176.1	0	0	0	0	0	118.8	P778	P778-G780 PolarHBondContact O-N 3.3Å
781	L	35.5	Very low	36.9	Very low	168 Å²	168	135.3 Å²	135.3	88%	0.88	81%	0.806	S	S	*	*	S	Bend	trans	-150.2	134.6	169.5	-90.6	170.8	0	0	0	109.6
782	T	34.5	Very low	36.1	Very low	134 Å²	134	135.4 Å²	135.4	82%	0.822	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-75.7	125	-178	48.4	0	0	0	0	111.9	G784	T782-G784 PolarHBondContact O-N 3.27Å
783	P	34.7	Very low	35.2	Very low	131 Å²	131	139.7 Å²	139.7	85%	0.851	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-70.9	120.6	177.2	-19.7	33.4	0	0	0	112.6
784	G	32.7	Very low	34.5	Very low	70 Å²	70	136.8 Å²	136.8	72%	0.722	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-77.2	159.9	166.4	0	0	0	0	0	112.5	T782	T782-G784 PolarHBondContact O-N 3.27Å
785	L	33.5	Very low	34.3	Very low	167 Å²	167	140.9 Å²	140.9	87%	0.874	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-54.3	130.5	-178.9	-66.9	156.7	0	0	0	113.1
786	P	37	Very low	34	Very low	123 Å²	123	140.5 Å²	140.5	80%	0.799	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-79.6	125.4	170.3	30.7	-31.5	0	0	0	111.5
787	Y	33	Very low	33.7	Very low	215 Å²	215	138.2 Å²	138.2	84%	0.843	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-67.5	152.1	165.5	-96.7	-111.5	0	0	0	111.1
788	P	35.4	Very low	33.2	Very low	118 Å²	118	142.5 Å²	142.5	77%	0.766	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-70.3	139.8	172.6	29.6	-33.9	0	0	0	111.7
789	H	28.9	Very low	32.9	Very low	192 Å²	192	140.5 Å²	140.5	89%	0.889	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-64.7	138.2	179	-91.3	-99	0	0	0	113
790	Q	32.4	Very low	32.7	Very low	171 Å²	171	142.5 Å²	142.5	80%	0.799	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-81.8	141	162.9	-69.5	176.7	-6.1	0	0	110.4
791	T	28.9	Very low	32.4	Very low	110 Å²	110	144.3 Å²	144.3	68%	0.675	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-73.9	164.1	157.8	43.9	0	0	0	0	109.7	Q793	T791-Q793 PolarHBondContact O-N 3.41Å; T791-Q793 PolarHBondContact O-OE1 3.45Å
792	P	32.1	Very low	32.2	Very low	133 Å²	133	147.2 Å²	147.2	86%	0.864	81%	0.809	S	S	*	*			trans	-77.2	98.5	-165	29.1	-34.9	0	0	0	113
793	Q	30.6	Very low	32.1	Very low	151 Å²	151	145.9 Å²	145.9	71%	0.706	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-69.5	132.8	159.8	-96.8	75.3	7.8	0	0	110.2	T791	T791-Q793 PolarHBondContact O-N 3.41Å; T791-Q793 PolarHBondContact O-OE1 3.45Å
794	G	29.4	Very low	32.1	Very low	69 Å²	69	145.9 Å²	145.9	71%	0.711	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-65.6	158.5	178.7	0	0	0	0	0	113.9	M796	G794-M796 PolarHBondContact O-N 2.92Å
795	L	34.2	Very low	32.1	Very low	181 Å²	181	149.8 Å²	149.8	95%	0.948	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-54.6	128.8	173.8	-72	149.6	0	0	0	111.2
796	M	32.3	Very low	31.9	Very low	176 Å²	176	150.2 Å²	150.2	87%	0.867	81%	0.808	S	S	*	*			trans	-132.1	146.4	163.4	-82.8	-72.6	178.1	0	0	109.6	G794	G794-M796 PolarHBondContact O-N 2.92Å
797	P	32.4	Very low	31.5	Very low	119 Å²	119	147.8 Å²	147.8	77%	0.773	81%	0.805	S	S	*	*			trans	-89.3	165.7	-160	-8.3	28.8	0	0	0	114.8
798	Y	26.6	Very low	31.2	Very low	243 Å²	243	149.2 Å²	149.2	95%	0.953	81%	0.81	S	S	*	*			trans	-68.6	140.8	173.1	-87.8	-109.4	0	0	0	112.8
799	G	28.8	Very low	30.8	Very low	67 Å²	67	147.3 Å²	147.3	69%	0.691	81%	0.812	S	S	*	*			trans	170.8	82.3	165.2	0	0	0	0	0	119.3
800	Q	32.3	Very low	30.8	Very low	180 Å²	180	143.6 Å²	143.6	84%	0.841	82%	0.815	S	S	*	*			trans	68	168.7	153.9	-59.6	-71.7	-15.2	0	0	117.3
801	P	35.3	Very low	30.6	Very low	112 Å²	112	139.4 Å²	139.4	73%	0.727	82%	0.817	S	S	*	*				-119.9	164.8	-81.7	29.7	-11.1	0	0	0	114.5
802	R	30.8	Very low	30.7	Very low	230 Å²	230	138.7 Å²	138.7	87%	0.868	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-94.7	130.3	-171.3	-170.3	-174.2	-168.7	-176.6	5.4	112.7
803	P	32.1	Very low	30.7	Very low	105 Å²	105	138.8 Å²	138.8	68%	0.682	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-80.4	150.2	168.5	32.5	-33.1	0	0	0	111.7
804	P	35.7	Very low	30.5	Very low	132 Å²	132	142.4 Å²	142.4	86%	0.857	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-80.8	143.6	-176.7	32.1	-34.6	0	0	0	113.1
805	I	32.5	Very low	31.7	Very low	152 Å²	152	144.8 Å²	144.8	78%	0.779	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-99.4	131.6	169.4	-67.1	169.2	0	0	0	108.3
806	L	29.8	Very low	31.4	Very low	176 Å²	176	141.1 Å²	141.1	92%	0.921	83%	0.826	S	S	*	*			trans	-165.4	149	148	-136.4	85.3	0	0	0	113.2
807	G	27.9	Very low	31.2	Very low	72 Å²	72	139.3 Å²	139.3	74%	0.742	83%	0.825	S	S	*	*			trans	101.6	89.1	139.9	0	0	0	0	0	118.8
808	Y	27.5	Very low	32.1	Very low	244 Å²	244	138.8 Å²	138.8	96%	0.957	82%	0.822	S	S	*	*			trans	-65.2	145	158.9	-111.8	-112.6	0	0	0	111.4
809	G	26.7	Very low	32.3	Very low	78 Å²	78	134.6 Å²	134.6	80%	0.804	82%	0.821	S	S	*	*			trans	-170.5	117.8	169.9	0	0	0	0	0	112.8
810	A	28.3	Very low	32.3	Very low	114 Å²	114	135 Å²	135	94%	0.942	83%	0.826	S	S	*	*			trans	-99.1	151.8	-178.1	0	0	0	0	0	112.4
811	G	29	Very low	32.1	Very low	83 Å²	83	130.1 Å²	130.1	86%	0.856	82%	0.824	S	S	*	*			trans	171.3	138	171.5	0	0	0	0	0	112.4
812	A	31.1	Very low	32.9	Very low	96 Å²	96	130.9 Å²	130.9	79%	0.793	83%	0.829	S	S	*	*			trans	-131.8	162.6	-173.6	0	0	0	0	0	112.9
813	V	31.3	Very low	33.8	Very low	134 Å²	134	125.6 Å²	125.6	81%	0.812	82%	0.824	S	S	*	*			trans	79.4	107.4	164.6	-165.3	0	0	0	0	118.4
814	R	26.3	Very low	33.9	Very low	228 Å²	228	131.1 Å²	131.1	86%	0.86	83%	0.833	S	S	*	*			trans	8.4	172	135	-48.9	177.8	157.9	-123.3	-1.4	120.8
815	P	54.3	Low	34.8	Very low	119 Å²	119	129.2 Å²	129.2	77%	0.773	82%	0.82	S	S	*	*				-137.3	156.5	-63.1	40.5	-23.9	0	0	0	113.6
816	A	27.8	Very low	34.7	Very low	103 Å²	103	130.3 Å²	130.3	85%	0.851	82%	0.822	S	S	*	*			trans	-165.9	167.4	162.3	0	0	0	0	0	113.7
817	V	28.5	Very low	34.8	Very low	139 Å²	139	126.2 Å²	126.2	84%	0.842	81%	0.814	S	S	*	*			trans	-116	-162.6	-168.7	-152.9	0	0	0	0	110.8
818	P	51.7	Low	35.9	Very low	108 Å²	108	127.9 Å²	127.9	70%	0.701	81%	0.811	S	S	*	*				-106.4	167	-111.8	39.4	-25.2	0	0	0	116.7
819	T	30.8	Very low	36.1	Very low	154 Å²	154	127.4 Å²	127.4	95%	0.945	81%	0.81	S	S	*	*			trans	168.6	151.3	150.2	21.8	0	0	0	0	107.8
820	G	28.3	Very low	36.1	Very low	77 Å²	77	127.1 Å²	127.1	79%	0.794	81%	0.806	S	S	*	*			cis	-178.2	143.8	-10.6	0	0	0	0	0	107.9
821	G	27.5	Very low	36.2	Very low	77 Å²	77	127 Å²	127	79%	0.794	81%	0.806	S	S	*	*			trans	-92.2	-156.1	177.2	0	0	0	0	0	112.6
822	P	52.3	Low	36.1	Very low	127 Å²	127	126.5 Å²	126.5	83%	0.825	80%	0.8	S	S	*	*			cis	-126.2	-146	-21.9	40	-19.7	0	0	0	109.1
823	P	50.4	Low	36.1	Very low	119 Å²	119	134.3 Å²	134.3	77%	0.773	81%	0.809	S	S	*	*			cis	-136.3	-175.7	-8.8	39.6	-17.7	0	0	0	118
824	Y	35.1	Very low	35.9	Very low	221 Å²	221	131.8 Å²	131.8	87%	0.867	81%	0.811	S	S	*	*			trans	-59.1	-170.9	169.1	-86.6	-97	0	0	0	115.5
825	P	53.2	Low	36.1	Very low	92 Å²	92	128 Å²	128	60%	0.597	81%	0.808	S	S	*	*			cis	-131.5	-169.9	3.7	15.1	15.2	0	0	0	114.1
826	H	30.3	Very low	34.9	Very low	176 Å²	176	132.5 Å²	132.5	82%	0.815	81%	0.81	S	S	*	*			cis	-158.4	158.2	39	-73.2	-95.1	0	0	0	114
827	A	32.6	Very low	35.2	Very low	90 Å²	90	134.7 Å²	134.7	74%	0.744	81%	0.808	S	S	*	*			trans	-94.1	176.6	158.8	0	0	0	0	0	110.1
828	P	50.6	Low	35.5	Very low	107 Å²	107	132.1 Å²	132.1	70%	0.695	80%	0.801	S	S	*	*				-162.4	176	75.8	43.1	-21.4	0	0	0	119.3
829	Y	31.1	Very low	34.6	Very low	234 Å²	234	136.2 Å²	136.2	92%	0.918	81%	0.808	S	S	*	*			trans	62.1	151.4	164.4	-67.3	-75	0	0	0	119.3
830	G	27.9	Very low	34.7	Very low	71 Å²	71	140.9 Å²	140.9	73%	0.732	81%	0.809	S	S	*	*			cis	-174	165.5	-0.4	0	0	0	0	0	111.7
831	A	30.6	Very low	34.8	Very low	113 Å²	113	140.1 Å²	140.1	93%	0.934	80%	0.801	S	S	*	*			trans	-104.1	163.7	-169.6	0	0	0	0	0	114.4
832	G	27.4	Very low	35.1	Very low	72 Å²	72	146.1 Å²	146.1	74%	0.742	81%	0.808	S	S	*	*			trans	137.9	110.6	144	0	0	0	0	0	119.6
833	R	30.2	Very low	34.1	Very low	259 Å²	259	143.5 Å²	143.5	98%	0.977	80%	0.804	S	S	*	*			trans	36.1	138.1	139.3	-51.2	-166.2	-173.9	-77.2	3.9	121.8
834	G	28	Very low	33	Very low	82 Å²	82	141.8 Å²	141.8	85%	0.845	81%	0.808	S	S	*	*			trans	174.5	129.8	155.6	0	0	0	0	0	115
835	N	29.2	Very low	32.8	Very low	149 Å²	149	142.6 Å²	142.6	80%	0.797	81%	0.811	S	S	*	*			trans	-96.5	173.8	-164.3	-155.6	19	0	0	0	114.4
836	Y	28.9	Very low	32.6	Very low	212 Å²	212	143.7 Å²	143.7	83%	0.831	82%	0.819	S	S	*	*			trans	91.2	128.3	155.9	-96.9	-81.3	0	0	0	124
837	D	35.5	Very low	32.5	Very low	150 Å²	150	139 Å²	139	80%	0.802	82%	0.818	S	S	*	*			trans	-62.8	158.3	157.4	-84.4	-75.7	0	0	0	114.4
838	A	33.1	Very low	32.4	Very low	84 Å²	84	144.6 Å²	144.6	69%	0.694	83%	0.825	S	S	*	*				164.1	126.5	114.3	0	0	0	0	0	117.1
839	F	33.7	Very low	32.5	Very low	195 Å²	195	145 Å²	145	86%	0.855	83%	0.827	S	S	*	*			trans	69	117.1	135.2	-89.6	-99.3	0	0	0	125
840	R	32.1	Very low	32.3	Very low	252 Å²	252	145.9 Å²	145.9	95%	0.951	83%	0.829	S	S	*	*				179.9	145.5	99.4	-92	-177.3	-175	-159.4	2.6	109.5
841	G	30.9	Very low	32.6	Very low	61 Å²	61	150 Å²	150	63%	0.629	84%	0.835	S	S	*	*			cis	158.4	152.5	-8.6	0	0	0	0	0	113.3
842	Q	33.7	Very low	32.5	Very low	203 Å²	203	155.2 Å²	155.2	95%	0.949	83%	0.83	S	S	*	*			trans	87	134.9	161.7	-63	-79.1	-3.7	0	0	119
843	G	31.1	Very low	32.6	Very low	71 Å²	71	159.1 Å²	159.1	73%	0.732	83%	0.831	S	S	*	*			cis	163.3	152.5	-9	0	0	0	0	0	113.4
844	G	27.7	Very low	32.8	Very low	84 Å²	84	153.2 Å²	153.2	87%	0.866	82%	0.823	S	S	*	*			trans	131.6	131.3	163.6	0	0	0	0	0	119.7
845	Y	30.4	Very low	33	Very low	237 Å²	237	161.3 Å²	161.3	93%	0.929	83%	0.828	S	S	*	*			trans	-117.7	-171.6	175.7	-102.3	-84.6	0	0	0	109.6
846	P	50	Low	33.1	Very low	116 Å²	116	157.6 Å²	157.6	75%	0.753	83%	0.825	S	S	*	*			cis	-136.7	170.5	-25.6	35	-15.8	0	0	0	116.7
847	G	28.4	Very low	33.4	Very low	77 Å²	77	155.4 Å²	155.4	79%	0.794	83%	0.828	S	S	*	*			trans	110.2	125.4	138.6	0	0	0	0	0	123
848	K	29.2	Very low	33.9	Very low	208 Å²	208	153 Å²	153	90%	0.904	82%	0.82	S	S	*	*			trans	1.6	174.9	154.5	-65	-175.2	177.4	-179.5	0	122
849	P	52.4	Low	34.5	Very low	114 Å²	114	160.9 Å²	160.9	74%	0.74	83%	0.832	S	S	*	*				-135.9	166.3	-50.8	40	-24.6	0	0	0	113.6
850	R	27.7	Very low	34.8	Very low	254 Å²	254	156 Å²	156	96%	0.958	83%	0.828	S	S	*	*			trans	-174.7	156	142	-116.5	172.6	170.7	149	-2.7	115.9
851	N	34.8	Very low	35.5	Very low	158 Å²	158	151.5 Å²	151.5	85%	0.845	82%	0.821	S	S	*	*			trans	-102	165.5	176	-156.1	-7.6	0	0	0	110.7
852	R	28.2	Very low	36	Very low	221 Å²	221	154.6 Å²	154.6	83%	0.834	83%	0.828	S	S	*	*			trans	112.1	139	152.5	-139.9	-177.9	-153.5	-170.8	7.8	120.2
853	M	28.7	Very low	36.4	Very low	155 Å²	155	153.5 Å²	153.5	76%	0.764	82%	0.823	S	S	*	*			trans	87.6	85.5	158.7	-80.6	141.8	71.9	0	0	121.4
854	V	35.8	Very low	37.2	Very low	135 Å²	135	160.4 Å²	160.4	82%	0.818	83%	0.828	S	S	*	*				37.4	116.8	107.6	-176.1	0	0	0	0	118.6
855	R	31.4	Very low	38.2	Very low	252 Å²	252	165.9 Å²	165.9	95%	0.951	82%	0.823	S	S	*	*				-140.5	128.5	124.5	-92.2	-169.7	179	-172.4	-0.4	108.6
856	G	31.7	Very low	39.6	Very low	71 Å²	71	161 Å²	161	73%	0.732	81%	0.812	S	S	*	*			trans	-107.3	176.1	172.9	0	0	0	0	0	111.7
857	D	35.1	Very low	39.8	Very low	166 Å²	166	163.4 Å²	163.4	89%	0.888	82%	0.818	S	S	*	*			trans	-142.8	152.1	169	-147.1	46.3	0	0	0	107.6
858	P	45.3	Very low	41.3	Very low	99 Å²	99	167.2 Å²	167.2	64%	0.643	82%	0.821	S	S	*	*			trans	-127	141.7	-133.3	38.4	-24.6	0	0	0	115.5
859	R	45.3	Very low	42.8	Very low	249 Å²	249	160.1 Å²	160.1	94%	0.94	80%	0.8	S	S	*	*			trans	-168.1	128.6	133.9	-99.4	138.7	-169.7	163.7	3.4	108.9
860	A	41.5	Very low	43	Very low	94 Å²	94	159.7 Å²	159.7	78%	0.777	80%	0.798	S	S	*	*			trans	-75.3	152.9	-169.5	0	0	0	0	0	112.6
861	I	46.9	Very low	43.7	Very low	157 Å²	157	154.1 Å²	154.1	81%	0.805	79%	0.787	S	S	*	*			trans	-68.9	133	164.6	-64.1	164.7	0	0	0	107.3	E863	I861-E863 PolarHBondContact O-N 2.87Å
862	V	41.3	Very low	44.3	Very low	126 Å²	126	154.2 Å²	154.2	76%	0.764	79%	0.788	S	S	*	*			trans	-88	104.8	174.4	178.7	0	0	0	0	108
863	E	42.5	Very low	45.3	Very low	180 Å²	180	149.4 Å²	149.4	84%	0.841	78%	0.783	S	S	*	*			trans	-81.6	134.9	162.8	-72.2	-178.2	147.8	0	0	109.3	I861	I861-E863 PolarHBondContact O-N 2.87Å
864	Y	47.3	Very low	45.9	Very low	216 Å²	216	148.1 Å²	148.1	85%	0.847	78%	0.779	S	S	*	*			trans	-89.6	130.8	176	-127.9	-99.1	0	0	0	109.1
865	R	48.7	Very low	45.9	Very low	199 Å²	199	149.8 Å²	149.8	75%	0.751	78%	0.775	S	S	*	*			trans	-114.7	127.8	173.6	177.2	175.1	169.4	136.4	-4.3	107.8
866	D	58.8	Low	46.3	Very low	133 Å²	133	149.9 Å²	149.9	71%	0.711	78%	0.783	S	S	*	*			trans	-62.5	138.5	179.2	-88.2	-41.5	0	0	0	111.6
867	L	54.4	Low	47.1	Very low	167 Å²	167	153.9 Å²	153.9	87%	0.874	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-10.5	-177.3	-76.9	164.3	0	0	0	113.6
868	D	60.3	Low	47.7	Very low	158 Å²	158	153.2 Å²	153.2	85%	0.845	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	4.6	-179.4	-65.3	-37.2	0	0	0	113.2	P870	D868-P870 WeakPolarHBondContact O-CD 3.29Å
869	A	59.7	Low	47.8	Very low	58 Å²	58	156.2 Å²	156.2	48%	0.479	79%	0.788	S	S	.	*			trans	-73.4	118.6	174.1	0	0	0	0	0	109.9
870	P	57.3	Low	48	Very low	106 Å²	106	150.8 Å²	150.8	69%	0.688	78%	0.779	S	S	*	*			trans	-64.7	144.6	176.2	27.4	-33.8	0	0	0	110.9	D868 D872	D868-P870 WeakPolarHBondContact O-CD 3.29Å; P870-D872 PolarHBondContact O-N 3.07Å
871	D	42.3	Very low	48.4	Very low	137 Å²	137	154.3 Å²	154.3	73%	0.733	78%	0.779	S	S	*	*			trans	-70.5	95.3	175.6	-76.1	-43.5	0	0	0	110.1	V873	D871-V873 WeakPolarHBondContact O-CG2 3.2Å; D871-V873 PolarHBondContact O-N 3.02Å
872	D	48.3	Very low	48.5	Very low	160 Å²	160	154.1 Å²	154.1	86%	0.856	78%	0.777	S	S	*	*			trans	-69.8	101.9	170.4	-88.8	-20.8	0	0	0	110.3	P870	P870-D872 PolarHBondContact O-N 3.07Å
873	V	48.1	Very low	49	Very low	120 Å²	120	156.1 Å²	156.1	73%	0.727	78%	0.778	S	S	*	*			trans	-72.7	127.3	175.4	-135.4	0	0	0	0	110.6	D871	D871-V873 WeakPolarHBondContact O-CG2 3.2Å; D871-V873 PolarHBondContact O-N 3.02Å
874	D	42.8	Very low	49.5	Very low	127 Å²	127	154.3 Å²	154.3	68%	0.679	77%	0.773	S	S	*	*			trans	54.4	141.8	143	-74.6	-25	0	0	0	122.7
875	F	35.7	Very low	49.6	Very low	170 Å²	170	149.2 Å²	149.2	75%	0.746	77%	0.767	S	S	*	*			trans	68.2	136.6	163.6	-65.4	-70.5	0	0	0	117.5
876	F	39.4	Very low	49.7	Very low	255 Å²	255	144.6 Å²	144.6	100%	1.118	77%	0.769	S	S	*	*			cis	-146.9	0	13.4	-129.8	-64.8	0	0	0	111.4

Retrieved 876 of 876 residues in 1421.2 ms (Link to these results)

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