A0A5K4ETM9_SCHMA Loading...

DH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4ETM9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 825 aa.

						>A0A5K4ETM9_SCHMA|A0A5K4ETM9
MSSDPNNPIYVNHSIKPNRPPNIDRKENDEHDKHVYANSQELQNARKAKEFAASAIVDSVVSNYETHWKNELNNRNTTIQPVNMNYQQYYSTKSENSTPNLSIRSQSYPTYNHHELEKHYVTPNFLSAHHQVSSPKPTRPSNPPLISPMDHHQRCDRLDEKNEIGIRRLDLVNSINPGGKFTDYDHGHFDDTVRYYNTEPLSMQFQPHHSYTMRSERRIMSPTSLDRRYPQEYDQYYSSPEARRVQTMRYTDYPTRPRLYQPTYQSATLSFNEYDHHYNNGTLKPRRPKIITERYKCSEVYNWPPKFPKLKRRKTNPPKQIHTAQDHIVIKQQLKTSAENNHSSPVQHTQSNTEQIQCIKVNNQYQSPNGKRELSVSPEPQVTSLHSLQRSTLLEKSNRTSGTETRDQLFIADYKLAPNNQIGSTKPDSLALPYFAKMTENKRFSKFHYNTTTNNNTSNNNNNNIAVSAEVMRSESPKSSTTLKDALKIMHPLFQCLQDKQPTTSSSPTDNHESQNSKLLIDCLSEYLFTCMKLRSLDLQGEFATFVFPLKNFNEQVWNKYGIIDNWNEISIVCAPNTNYEYVVLNTAKESAQKIRFPTKTIDKLLTNWLDNQTTKTPSPENRHSMEKKNNTEKTSDNKLLHSISLAVTLKSLLNLFEKHKEESKAEAESGEQQHQHHHHEQQQCVDLFLTCIKLNVLLSLSECLDKDKSIQLDLIPEHILLILTPSNCLTIFKQYEKDKLPNTDSNHNEVILKETNLQCLLDALHIQSHSMNDSINDVLKQFYEIIQHNYQSKEMIISLLKSIAPPDWITMCVARICLYNQTNS
					

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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	30.8	Very low	30.4	Very low	247 Å²	247	138.2 Å²	138.2	100%	1.217	76%	0.759	S	S	*	*				0	147.7	0	-64.7	-179.3	81.2	0	0	108.2
2	S	31	Very low	29.9	Very low	110 Å²	110	137.9 Å²	137.9	77%	0.769	76%	0.756	S	S	*	*			trans	-84.9	136.9	-168.9	-157.6	0	0	0	0	113.2
3	S	33.7	Very low	29.6	Very low	96 Å²	96	138.8 Å²	138.8	67%	0.671	75%	0.751	S	S	*	*			trans	43.6	110.3	135.5	65.2	0	0	0	0	121.7
4	D	32.1	Very low	29.2	Very low	113 Å²	113	135.4 Å²	135.4	60%	0.604	74%	0.743	S	S	*	*				-146.5	117.9	122.1	-170.3	-25.8	0	0	0	108.3	N6	D4-N6 VanDerWaalsContact C-N 3.26Å; D4-N6 PolarHBondContact O-N 3.32Å; D4-N6 PolarHBondContact OD1-N 3.4Å; D4-N6 VanDerWaalsContact OD1-N 3.09Å
5	P	41.9	Very low	29	Very low	127 Å²	127	135.7 Å²	135.7	83%	0.825	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-8.8	-175.6	30.1	-35.6	0	0	0	114.8
6	N	34.2	Very low	28.7	Very low	147 Å²	147	138.6 Å²	138.6	79%	0.786	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	3.9	-177	-81.6	-23.6	0	0	0	115	D4	D4-N6 VanDerWaalsContact C-N 3.26Å; D4-N6 PolarHBondContact O-N 3.32Å; D4-N6 PolarHBondContact OD1-N 3.4Å; D4-N6 VanDerWaalsContact OD1-N 3.09Å
7	N	26.7	Very low	28.6	Very low	124 Å²	124	137.6 Å²	137.6	66%	0.663	75%	0.747	S	S	*	*	S	Bend	trans	-129.2	103.3	179	-148.8	-4.7	0	0	0	111.5	I9	N7-I9 PolarHBondContact O-N 3.48Å
8	P	27.4	Very low	28.6	Very low	97 Å²	97	138.8 Å²	138.8	63%	0.63	75%	0.753	S	S	*	*			trans	-68.1	109	-179.1	26.9	-32.9	0	0	0	110.4	Y10	P8-Y10 WeakPolarHBondContact O-CD2 3.42Å; P8-Y10 PolarHBondContact O-N 3.43Å
9	I	26.8	Very low	28.3	Very low	151 Å²	151	142.9 Å²	142.9	77%	0.774	76%	0.756	S	S	*	*			trans	-61.5	109.8	172	-60.6	175	0	0	0	108.1	N7 V11	N7-I9 PolarHBondContact O-N 3.48Å; I9-V11 VanDerWaalsContact C-N 3.3Å; I9-V11 HydrophobicContact CG2-CG2 4.07Å; I9-V11 PolarHBondContact O-N 3.21Å
10	Y	23.8	Very low	28.3	Very low	213 Å²	213	141.1 Å²	141.1	84%	0.835	75%	0.753	S	S	*	*			trans	-67.5	85.5	175	-87.4	-96.5	0	0	0	110.5	P8 N12	P8-Y10 WeakPolarHBondContact O-CD2 3.42Å; P8-Y10 PolarHBondContact O-N 3.43Å; Y10-N12 VanDerWaalsContact C-N 3.35Å; Y10-N12 PolarHBondContact O-N 3.01Å
11	V	26.5	Very low	28.2	Very low	95 Å²	95	140.4 Å²	140.4	58%	0.576	76%	0.756	S	S	*	*			trans	-74.7	91.6	172.4	-174.3	0	0	0	0	109.1	I9 H13	I9-V11 VanDerWaalsContact C-N 3.3Å; I9-V11 HydrophobicContact CG2-CG2 4.07Å; I9-V11 PolarHBondContact O-N 3.21Å; V11-H13 WeakPolarHBondContact CG1-NE2 3.47Å; V11-H13 PolarHBondContact O-N 3.06Å
12	N	23.4	Very low	28	Very low	135 Å²	135	133 Å²	133	72%	0.722	72%	0.721	S	S	*	*			trans	-68.3	89.7	176.4	-123.9	-27.6	0	0	0	109.8	Y10 S14	Y10-N12 VanDerWaalsContact C-N 3.35Å; Y10-N12 PolarHBondContact O-N 3.01Å; N12-S14 PolarHBondContact O-N 2.7Å
13	H	26.4	Very low	27.8	Very low	150 Å²	150	134.5 Å²	134.5	69%	0.694	72%	0.719	S	S	*	*			trans	-72.9	50.6	170	-70.5	-63.3	0	0	0	112.2	V11 I15	V11-H13 WeakPolarHBondContact CG1-NE2 3.47Å; V11-H13 PolarHBondContact O-N 3.06Å; H13-I15 PolarHBondContact O-N 2.97Å
14	S	24	Very low	27.5	Very low	90 Å²	90	131.8 Å²	131.8	63%	0.629	70%	0.697	S	S	*	*			trans	-79.2	48.4	164	-70.2	0	0	0	0	110.8	N12 K16	N12-S14 PolarHBondContact O-N 2.7Å; S14-K16 VanDerWaalsContact C-N 3.3Å; S14-K16 PolarHBondContact O-N 3.4Å
15	I	26.5	Very low	27.4	Very low	140 Å²	140	132.4 Å²	132.4	72%	0.718	69%	0.691	S	S	*	*			trans	-75.8	90.8	169.9	-59.1	178.5	0	0	0	106.6	H13 P17	H13-I15 PolarHBondContact O-N 2.97Å; I15-P17 VanDerWaalsContact O-CD 3.31Å; I15-P17 WeakPolarHBondContact O-CD 3.44Å
16	K	23.6	Very low	26.7	Very low	182 Å²	182	131.4 Å²	131.4	79%	0.791	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-59.5	121.4	170.9	-67.6	173.7	-179.9	171.3	0	108.3	S14 N18	S14-K16 VanDerWaalsContact C-N 3.3Å; S14-K16 PolarHBondContact O-N 3.4Å; K16-N18 PolarHBondContact O-N 3.45Å
17	P	27.9	Very low	26.4	Very low	122 Å²	122	131.7 Å²	131.7	79%	0.792	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-61.8	130.8	164.5	-17.8	32	0	0	0	108.4	I15 R19	I15-P17 VanDerWaalsContact O-CD 3.31Å; I15-P17 WeakPolarHBondContact O-CD 3.44Å; P17-R19 PolarHBondContact O-N 3.13Å
18	N	27.6	Very low	26.5	Very low	159 Å²	159	131.9 Å²	131.9	85%	0.85	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-57.3	127.7	175.9	-83.7	-31.9	0	0	0	109.9	K16 P20	K16-N18 PolarHBondContact O-N 3.45Å; N18-P20 VanDerWaalsContact O-CD 3.28Å; N18-P20 WeakPolarHBondContact O-CD 3.39Å
19	R	22.8	Very low	26.7	Very low	217 Å²	217	135.5 Å²	135.5	82%	0.819	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-71.5	116.9	179.7	-169.8	-167.9	-158.9	177	8.6	109.6	P17	P17-R19 PolarHBondContact O-N 3.13Å
20	P	28.4	Very low	26.9	Very low	107 Å²	107	136.8 Å²	136.8	70%	0.695	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-67.3	155.4	165.9	-13.8	30.7	0	0	0	110	N18	N18-P20 VanDerWaalsContact O-CD 3.28Å; N18-P20 WeakPolarHBondContact O-CD 3.39Å
21	P	27.5	Very low	27.3	Very low	126 Å²	126	135.5 Å²	135.5	82%	0.818	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-72.4	158	-163.4	27.3	-34.6	0	0	0	115	I23	P21-I23 PolarHBondContact O-N 3.34Å
22	N	24.8	Very low	27.6	Very low	91 Å²	91	138.5 Å²	138.5	49%	0.487	70%	0.702	S	S	.	*			trans	-71.3	98	-173.2	-175.8	67.7	0	0	0	111.6	D24 K136	N22-D24 WeakPolarHBondContact ND2-CB 3.33Å; N22-D24 VanDerWaalsContact ND2-CG 3.3Å; N22-D24 PolarHBondContact ND2-OD2 3.25Å; N22-D24 PolarHBondContact O-N 3.48Å; N22-D24 VanDerWaalsContact O-N 3.13Å; N22-K136 PolarHBondContact OD1-NZ 3.42Å
23	I	28.4	Very low	28	Very low	142 Å²	142	141.5 Å²	141.5	73%	0.728	71%	0.709	S	S	*	*			trans	-84.7	73.5	153.1	-58.5	-177.6	0	0	0	107.3	P21 R25	P21-I23 PolarHBondContact O-N 3.34Å; I23-R25 PolarHBondContact O-N 3.09Å
24	D	26.4	Very low	28.3	Very low	39 Å²	39	141.2 Å²	141.2	21%	0.209	71%	0.708	C	S	.	*			trans	-38.9	127.4	167.3	-141.1	-31.2	0	0	0	110.8	N22 S134 K136	N22-D24 WeakPolarHBondContact ND2-CB 3.33Å; N22-D24 VanDerWaalsContact ND2-CG 3.3Å; N22-D24 PolarHBondContact ND2-OD2 3.25Å; N22-D24 PolarHBondContact O-N 3.48Å; N22-D24 VanDerWaalsContact O-N 3.13Å; D24-S134 VanDerWaalsContact C-OG 3.23Å; D24-S134 VanDerWaalsContact CB-CB 3.47Å; D24-S134 WeakPolarHBondContact O-CB 3.31Å; D24-S134 PolarHBondContact O-OG 3.11Å; D24-S134 WeakPolarHBondContact OD1-CB 3.41Å; D24-K136 IonicContact OD1-NZ 2.67Å; D24-K136 IonicContact OD2-NZ 3.37Å
25	R	29.8	Very low	28.9	Very low	127 Å²	127	141.9 Å²	141.9	48%	0.479	71%	0.708	S	S	.	*			trans	-146.4	140.5	164.6	-59.9	-172.1	176.6	-140.7	7.5	112.8	I23 Q131 V132 S134	I23-R25 PolarHBondContact O-N 3.09Å; R25-Q131 WeakPolarHBondContact CD-O 3.4Å; R25-Q131 PolarHBondContact NH1-O 3.38Å; R25-V132 HydrophobicContact CB-CB 3.82Å; R25-V132 HydrophobicContact CB-CG2 3.62Å; R25-V132 VanDerWaalsContact CD-O 3.31Å; R25-V132 WeakPolarHBondContact CD-O 3.08Å; R25-V132 HydrophobicContact CG-CB 4.45Å; R25-V132 HydrophobicContact CG-CG2 4.11Å; R25-V132 PolarHBondContact NH1-O 3.4Å; R25-S134 VanDerWaalsContact CA-CB 3.5Å
26	K	26.8	Very low	29.4	Very low	105 Å²	105	145.5 Å²	145.5	46%	0.457	71%	0.714	S	S	.	*	B	Isolated β-bridge	trans	-99.6	165.8	169	-60.1	161	176.4	154	0	108.4	S133 S134 P135	K26-S133 CarbonylContact C-O 3.32Å; K26-S133 VanDerWaalsContact C-O 3.32Å; K26-S133 WeakPolarHBondContact CA-O 3.43Å; K26-S133 WeakPolarHBondContact CB-O 3.26Å; K26-S133 PolarHBondContact N-O 3.04Å; K26-S133 PolarHBondContact O-N 3.01Å; K26-S134 VanDerWaalsContact CD-C 3.41Å; K26-S134 WeakPolarHBondContact CD-O 3.48Å; K26-S134 VanDerWaalsContact CE-C 3.44Å; K26-S134 WeakPolarHBondContact CE-O 3.06Å; K26-S134 PolarHBondContact NZ-O 3.38Å; K26-S134 VanDerWaalsContact NZ-O 3.08Å; K26-P135 WeakPolarHBondContact CE-O 3.15Å
27	E	29.2	Very low	30.1	Very low	153 Å²	153	139.3 Å²	139.3	72%	0.715	70%	0.697	S	S	*	*				-158.7	148.2	60.2	-114.8	-171.3	129.4	0	0	113.4
28	N	28.7	Very low	31.1	Very low	129 Å²	129	138.4 Å²	138.4	69%	0.69	69%	0.685	S	S	*	*			trans	38.6	105.8	154.4	-45.2	-23.5	0	0	0	116.9
29	D	30.7	Very low	32.8	Very low	172 Å²	172	133 Å²	133	92%	0.92	66%	0.66	S	S	*	*			cis	66.6	61.2	32.2	-95.1	0.9	0	0	0	115.8
30	E	31.6	Very low	34.6	Very low	178 Å²	178	127.9 Å²	127.9	83%	0.832	65%	0.645	S	S	*	*			trans	-140.1	2.8	164.2	-134.5	177.6	-154.7	0	0	116.9
31	H	31.4	Very low	36.3	Very low	186 Å²	186	128.6 Å²	128.6	86%	0.861	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-86.4	-9.8	-172.8	-82.8	-40.7	0	0	0	117.3	K33	H31-K33 PolarHBondContact O-N 3.05Å
32	D	34.3	Very low	38.2	Very low	158 Å²	158	127.6 Å²	127.6	85%	0.845	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-85.2	8.6	-169	-104.2	-1.6	0	0	0	116.3
33	K	30.5	Very low	40.1	Very low	198 Å²	198	126.3 Å²	126.3	86%	0.861	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-98.2	-9.6	179.7	-78.4	-176.8	178	171.7	0	116.6	H31	H31-K33 PolarHBondContact O-N 3.05Å
34	H	32.6	Very low	42.1	Very low	144 Å²	144	123.5 Å²	123.5	67%	0.667	60%	0.604	S	S	*	*			trans	-94.9	0.5	-173.3	-85.7	-82.1	0	0	0	116.7	Y36 A37	H34-Y36 VanDerWaalsContact C-N 3.26Å; H34-Y36 PolarHBondContact O-N 3.42Å; H34-Y36 VanDerWaalsContact O-N 3.15Å; H34-A37 PolarHBondContact O-N 3.31Å
35	V	37.3	Very low	44.2	Very low	104 Å²	104	124.1 Å²	124.1	63%	0.63	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-25	-172.3	-178.1	0	0	0	0	114
36	Y	36.1	Very low	45.8	Very low	216 Å²	216	125.1 Å²	125.1	85%	0.847	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-23.2	-178.5	-79.7	-85.8	0	0	0	115.2	H34	H34-Y36 VanDerWaalsContact C-N 3.26Å; H34-Y36 PolarHBondContact O-N 3.42Å; H34-Y36 VanDerWaalsContact O-N 3.15Å
37	A	40.1	Very low	47.6	Very low	53 Å²	53	126.7 Å²	126.7	44%	0.438	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.5	-38.9	179.3	0	0	0	0	0	112.5	H34 S39 Q40	H34-A37 PolarHBondContact O-N 3.31Å; A37-S39 PolarHBondContact O-N 3.36Å; A37-Q40 PolarHBondContact O-N 3.49Å; A37-Q40 VanDerWaalsContact O-N 3.16Å
38	N	48.8	Very low	49.3	Very low	102 Å²	102	122.1 Å²	122.1	55%	0.545	61%	0.614	S	S	.	*	H	α-helix	trans	-57.4	-20.3	-176	-109.8	-52.7	0	0	0	114.8	L42	N38-L42 VanDerWaalsContact O-CB 3.24Å; N38-L42 WeakPolarHBondContact O-CB 3.26Å; N38-L42 PolarHBondContact O-N 3.46Å; N38-L42 VanDerWaalsContact O-N 3.1Å
39	S	63.4	Low	50.9	Low	45 Å²	45	123.4 Å²	123.4	32%	0.315	61%	0.613	S	S	.	*	H	α-helix	trans	-68.5	-34.6	179.3	-175.2	0	0	0	0	112.9	A37 K306	A37-S39 PolarHBondContact O-N 3.36Å; S39-K306 PolarHBondContact OG-NZ 3.34Å
40	Q	59.4	Low	52.2	Low	110 Å²	110	121.3 Å²	121.3	51%	0.514	60%	0.598	S	S	.	*	H	α-helix	trans	-83.6	-42.2	-178.2	-169.4	61.5	40.5	0	0	110.6	A37 L42 Q43 N44	A37-Q40 PolarHBondContact O-N 3.49Å; A37-Q40 VanDerWaalsContact O-N 3.16Å; Q40-L42 PolarHBondContact O-N 2.84Å; Q40-Q43 PolarHBondContact O-N 3.18Å; Q40-N44 PolarHBondContact NE2-OD1 3.27Å; Q40-N44 WeakPolarHBondContact O-CB 3.31Å; Q40-N44 PolarHBondContact O-N 3.39Å; Q40-N44 PolarHBondContact O-OD1 3.42Å
41	E	63.8	Low	53.6	Low	123 Å²	123	120.4 Å²	120.4	58%	0.575	59%	0.592	S	S	*	*	H	α-helix	trans	-59.6	-43.1	174.9	-70.2	-177.8	134.4	0	0	112	Q43 N44 A45	E41-Q43 VanDerWaalsContact C-N 3.33Å; E41-Q43 PolarHBondContact O-N 3.06Å; E41-N44 PolarHBondContact O-N 3Å; E41-A45 VanDerWaalsContact O-CB 3.28Å; E41-A45 WeakPolarHBondContact O-CB 3.29Å; E41-A45 PolarHBondContact O-N 2.92Å
42	L	67.2	Low	54.7	Low	104 Å²	104	113.7 Å²	113.7	55%	0.545	57%	0.568	S	S	.	*	H	α-helix	trans	-63.7	-35.8	177	-173.3	68	0	0	0	112.8	N38 Q40 R46	N38-L42 VanDerWaalsContact O-CB 3.24Å; N38-L42 WeakPolarHBondContact O-CB 3.26Å; N38-L42 PolarHBondContact O-N 3.46Å; N38-L42 VanDerWaalsContact O-N 3.1Å; Q40-L42 PolarHBondContact O-N 2.84Å; L42-R46 WeakPolarHBondContact O-CG 3.4Å; L42-R46 PolarHBondContact O-N 2.9Å
43	Q	66.1	Low	55.3	Low	65 Å²	65	108.8 Å²	108.8	30%	0.304	55%	0.549	S	S	.	.	H	α-helix	trans	-72.2	-40.4	174.2	-77.7	-165.1	-6.9	0	0	112.1	Q40 E41 A45 R46 K47	Q40-Q43 PolarHBondContact O-N 3.18Å; E41-Q43 VanDerWaalsContact C-N 3.33Å; E41-Q43 PolarHBondContact O-N 3.06Å; Q43-A45 VanDerWaalsContact C-N 3.34Å; Q43-R46 PolarHBondContact O-N 3.02Å; Q43-K47 PolarHBondContact O-N 3.08Å
44	N	70.3	Confident	56.1	Low	83 Å²	83	102.5 Å²	102.5	44%	0.444	53%	0.531	S	S	.	.	H	α-helix	trans	-63.2	-41.7	175.4	-68.1	-4.7	0	0	0	110.7	Q40 E41 K47 A48	Q40-N44 PolarHBondContact NE2-OD1 3.27Å; Q40-N44 WeakPolarHBondContact O-CB 3.31Å; Q40-N44 PolarHBondContact O-N 3.39Å; Q40-N44 PolarHBondContact O-OD1 3.42Å; E41-N44 PolarHBondContact O-N 3Å; N44-K47 PolarHBondContact O-N 3.38Å; N44-A48 VanDerWaalsContact O-CB 3.29Å; N44-A48 WeakPolarHBondContact O-CB 3.45Å; N44-A48 PolarHBondContact O-N 3.32Å
45	A	69.3	Low	56.7	Low	51 Å²	51	97.7 Å²	97.7	42%	0.421	52%	0.516	S	S	.	.	H	α-helix	trans	-65.2	-38	175.7	0	0	0	0	0	112.7	E41 Q43 A48 K49	E41-A45 VanDerWaalsContact O-CB 3.28Å; E41-A45 WeakPolarHBondContact O-CB 3.29Å; E41-A45 PolarHBondContact O-N 2.92Å; Q43-A45 VanDerWaalsContact C-N 3.34Å; A45-A48 PolarHBondContact O-N 2.87Å; A45-K49 WeakPolarHBondContact O-CG 3.24Å; A45-K49 PolarHBondContact O-N 3.29Å
46	R	63.1	Low	57.3	Low	149 Å²	149	98 Å²	98	56%	0.562	51%	0.513	S	S	*	.	H	α-helix	trans	-64.8	-48.1	172.4	-78.8	-179.8	175.2	-163.6	-5.4	112	L42 Q43 A48 K49 E50	L42-R46 WeakPolarHBondContact O-CG 3.4Å; L42-R46 PolarHBondContact O-N 2.9Å; Q43-R46 PolarHBondContact O-N 3.02Å; R46-A48 VanDerWaalsContact C-N 3.29Å; R46-A48 PolarHBondContact O-N 3.24Å; R46-K49 WeakPolarHBondContact O-CB 3.24Å; R46-K49 PolarHBondContact O-N 3.46Å; R46-K49 VanDerWaalsContact O-N 3.13Å; R46-E50 WeakPolarHBondContact O-CG 3.31Å; R46-E50 PolarHBondContact O-N 2.85Å
47	K	64.9	Low	57.8	Low	137 Å²	137	91.8 Å²	91.8	60%	0.596	50%	0.497	S	S	*	.	H	α-helix	trans	-61.1	-37.3	175	-74.6	-176.1	175.4	-176.3	0	112.6	Q43 N44 E50 F51	Q43-K47 PolarHBondContact O-N 3.08Å; N44-K47 PolarHBondContact O-N 3.38Å; K47-E50 PolarHBondContact O-N 3.43Å; K47-F51 VanDerWaalsContact O-CB 3.25Å; K47-F51 WeakPolarHBondContact O-CB 3.28Å; K47-F51 PolarHBondContact O-N 3.37Å
48	A	64.9	Low	57.8	Low	58 Å²	58	94.4 Å²	94.4	48%	0.479	50%	0.504	S	S	.	.	H	α-helix	trans	-66.3	-38.5	174.8	0	0	0	0	0	111.8	N44 A45 R46 A52	N44-A48 VanDerWaalsContact O-CB 3.29Å; N44-A48 WeakPolarHBondContact O-CB 3.45Å; N44-A48 PolarHBondContact O-N 3.32Å; A45-A48 PolarHBondContact O-N 2.87Å; R46-A48 VanDerWaalsContact C-N 3.29Å; R46-A48 PolarHBondContact O-N 3.24Å; A48-A52 WeakPolarHBondContact O-CB 3.45Å; A48-A52 PolarHBondContact O-N 2.82Å
49	K	62.1	Low	57.3	Low	156 Å²	156	92.3 Å²	92.3	68%	0.678	50%	0.497	S	S	*	.	H	α-helix	trans	-66.2	-44.4	172.1	-77.3	-171.2	173	-157.6	0	112.7	A45 R46 A52 A53	A45-K49 WeakPolarHBondContact O-CG 3.24Å; A45-K49 PolarHBondContact O-N 3.29Å; R46-K49 WeakPolarHBondContact O-CB 3.24Å; R46-K49 PolarHBondContact O-N 3.46Å; R46-K49 VanDerWaalsContact O-N 3.13Å; K49-A52 PolarHBondContact O-N 3.36Å; K49-A53 WeakPolarHBondContact O-CB 3.49Å; K49-A53 PolarHBondContact O-N 2.87Å
50	E	58.1	Low	56.3	Low	127 Å²	127	93.4 Å²	93.4	59%	0.593	50%	0.501	S	S	*	.	H	α-helix	trans	-60.9	-46.4	175.2	-72.9	167.6	-179.4	0	0	111	R46 K47 A53 S54	R46-E50 WeakPolarHBondContact O-CG 3.31Å; R46-E50 PolarHBondContact O-N 2.85Å; K47-E50 PolarHBondContact O-N 3.43Å; E50-A53 PolarHBondContact O-N 3.46Å; E50-S54 PolarHBondContact O-N 2.86Å; E50-S54 PolarHBondContact O-OG 3.35Å
51	F	61.1	Low	55.6	Low	160 Å²	160	92.3 Å²	92.3	70%	0.702	50%	0.502	S	S	*	.	H	α-helix	trans	-64.2	-41.5	176.4	-174.9	-96.4	0	0	0	112.4	K47 S54 A55	K47-F51 VanDerWaalsContact O-CB 3.25Å; K47-F51 WeakPolarHBondContact O-CB 3.28Å; K47-F51 PolarHBondContact O-N 3.37Å; F51-S54 PolarHBondContact O-N 2.87Å; F51-A55 VanDerWaalsContact O-CB 3.26Å; F51-A55 WeakPolarHBondContact O-CB 3.29Å; F51-A55 PolarHBondContact O-N 2.97Å
52	A	54.8	Low	54.2	Low	45 Å²	45	89.6 Å²	89.6	37%	0.372	50%	0.497	S	S	.	.	H	α-helix	trans	-64.8	-40.4	174.9	0	0	0	0	0	111.9	A48 K49 A55 I56	A48-A52 WeakPolarHBondContact O-CB 3.45Å; A48-A52 PolarHBondContact O-N 2.82Å; K49-A52 PolarHBondContact O-N 3.36Å; A52-A55 PolarHBondContact O-N 3.01Å; A52-I56 WeakPolarHBondContact O-CB 3.4Å; A52-I56 WeakPolarHBondContact O-CD1 3.47Å; A52-I56 WeakPolarHBondContact O-CG1 3.25Å; A52-I56 PolarHBondContact O-N 3.3Å
53	A	48.4	Very low	52.8	Low	54 Å²	54	89.3 Å²	89.3	45%	0.446	50%	0.496	S	S	.	.	H	α-helix	trans	-63.5	-46.4	175.4	0	0	0	0	0	111.5	K49 E50 I56 V57	K49-A53 WeakPolarHBondContact O-CB 3.49Å; K49-A53 PolarHBondContact O-N 2.87Å; E50-A53 PolarHBondContact O-N 3.46Å; A53-I56 PolarHBondContact O-N 3.03Å; A53-V57 WeakPolarHBondContact O-CG2 3.19Å; A53-V57 PolarHBondContact O-N 2.97Å
54	S	46.9	Very low	51.5	Low	67 Å²	67	92 Å²	92	47%	0.469	50%	0.504	S	S	.	.	H	α-helix	trans	-60.7	-45	172.9	-71.8	0	0	0	0	112.2	E50 F51 I56 V57 D58	E50-S54 PolarHBondContact O-N 2.86Å; E50-S54 PolarHBondContact O-OG 3.35Å; F51-S54 PolarHBondContact O-N 2.87Å; S54-I56 VanDerWaalsContact C-N 3.31Å; S54-I56 PolarHBondContact O-N 3.31Å; S54-V57 PolarHBondContact O-N 3.43Å; S54-V57 VanDerWaalsContact O-N 3.14Å; S54-D58 WeakPolarHBondContact O-CB 3.43Å; S54-D58 PolarHBondContact O-N 3.27Å
55	A	45.1	Very low	50.1	Low	43 Å²	43	93.4 Å²	93.4	36%	0.355	51%	0.508	S	S	.	.	H	α-helix	trans	-65.2	-32.3	178.1	0	0	0	0	0	112.9	F51 A52 S59	F51-A55 VanDerWaalsContact O-CB 3.26Å; F51-A55 WeakPolarHBondContact O-CB 3.29Å; F51-A55 PolarHBondContact O-N 2.97Å; A52-A55 PolarHBondContact O-N 3.01Å; A55-S59 WeakPolarHBondContact O-CB 3.21Å; A55-S59 PolarHBondContact O-N 3.36Å
56	I	48.7	Very low	49	Very low	110 Å²	110	94.1 Å²	94.1	56%	0.564	51%	0.507	S	S	*	.	H	α-helix	trans	-68.6	-44.5	171.2	-71	162.8	0	0	0	110.2	A52 A53 S54 S59 V60	A52-I56 WeakPolarHBondContact O-CB 3.4Å; A52-I56 WeakPolarHBondContact O-CD1 3.47Å; A52-I56 WeakPolarHBondContact O-CG1 3.25Å; A52-I56 PolarHBondContact O-N 3.3Å; A53-I56 PolarHBondContact O-N 3.03Å; S54-I56 VanDerWaalsContact C-N 3.31Å; S54-I56 PolarHBondContact O-N 3.31Å; I56-S59 PolarHBondContact O-N 3.22Å; I56-V60 HydrophobicContact CG2-CG2 4.27Å; I56-V60 WeakPolarHBondContact O-CB 3.47Å; I56-V60 WeakPolarHBondContact O-CG2 3.28Å; I56-V60 PolarHBondContact O-N 3.15Å
57	V	46.4	Very low	47.7	Very low	85 Å²	85	92 Å²	92	52%	0.515	50%	0.504	S	S	.	.	H	α-helix	trans	-61	-48.1	175.9	170.4	0	0	0	0	110.9	A53 S54 S59 V60 V61	A53-V57 WeakPolarHBondContact O-CG2 3.19Å; A53-V57 PolarHBondContact O-N 2.97Å; S54-V57 PolarHBondContact O-N 3.43Å; S54-V57 VanDerWaalsContact O-N 3.14Å; V57-S59 PolarHBondContact O-N 2.96Å; V57-V60 PolarHBondContact O-N 2.98Å; V57-V61 HydrophobicContact CG1-CG2 4.38Å; V57-V61 WeakPolarHBondContact O-CB 3.34Å; V57-V61 VanDerWaalsContact O-CG2 3.28Å; V57-V61 WeakPolarHBondContact O-CG2 3.43Å; V57-V61 PolarHBondContact O-N 2.93Å
58	D	40.9	Very low	46.2	Very low	109 Å²	109	92.5 Å²	92.5	58%	0.583	50%	0.502	S	S	*	.	H	α-helix	trans	-63.8	-39.5	177.9	-68	-23	0	0	0	111.8	S54 S62	S54-D58 WeakPolarHBondContact O-CB 3.43Å; S54-D58 PolarHBondContact O-N 3.27Å; D58-S62 WeakPolarHBondContact O-CB 3.41Å; D58-S62 PolarHBondContact O-N 3.03Å
59	S	38	Very low	44.9	Very low	58 Å²	58	95.1 Å²	95.1	41%	0.406	50%	0.502	S	S	.	.	H	α-helix	trans	-62.9	-46	173.5	173.1	0	0	0	0	112.1	A55 I56 V57 S62 N63	A55-S59 WeakPolarHBondContact O-CB 3.21Å; A55-S59 PolarHBondContact O-N 3.36Å; I56-S59 PolarHBondContact O-N 3.22Å; V57-S59 PolarHBondContact O-N 2.96Å; S59-S62 PolarHBondContact O-N 3.27Å; S59-N63 VanDerWaalsContact O-CB 3.26Å; S59-N63 WeakPolarHBondContact O-CB 3.37Å; S59-N63 PolarHBondContact O-N 3.35Å; S59-N63 PolarHBondContact O-ND2 3.21Å
60	V	43.5	Very low	44	Very low	67 Å²	67	92.5 Å²	92.5	41%	0.406	50%	0.496	S	S	.	.	H	α-helix	trans	-64.5	-47.3	178	168.6	0	0	0	0	110.1	I56 V57 S62 N63 Y64	I56-V60 HydrophobicContact CG2-CG2 4.27Å; I56-V60 WeakPolarHBondContact O-CB 3.47Å; I56-V60 WeakPolarHBondContact O-CG2 3.28Å; I56-V60 PolarHBondContact O-N 3.15Å; V57-V60 PolarHBondContact O-N 2.98Å; V60-S62 PolarHBondContact O-N 3.1Å; V60-N63 PolarHBondContact O-N 3.38Å; V60-Y64 HydrophobicContact CG1-CD2 3.67Å; V60-Y64 HydrophobicContact CG1-CE2 3.69Å; V60-Y64 WeakPolarHBondContact O-CB 3.21Å; V60-Y64 VanDerWaalsContact O-CD2 3.22Å; V60-Y64 WeakPolarHBondContact O-CD2 3.22Å; V60-Y64 PolarHBondContact O-N 3.37Å
61	V	43.7	Very low	43.1	Very low	88 Å²	88	89.4 Å²	89.4	53%	0.533	48%	0.481	S	S	.	.	H	α-helix	trans	-61.6	-42.4	176.8	171.6	0	0	0	0	111.6	V57 Y64 E65	V57-V61 HydrophobicContact CG1-CG2 4.38Å; V57-V61 WeakPolarHBondContact O-CB 3.34Å; V57-V61 VanDerWaalsContact O-CG2 3.28Å; V57-V61 WeakPolarHBondContact O-CG2 3.43Å; V57-V61 PolarHBondContact O-N 2.93Å; V61-Y64 PolarHBondContact O-N 3.16Å; V61-E65 PolarHBondContact O-N 3.45Å
62	S	35.1	Very low	42.2	Very low	66 Å²	66	86.6 Å²	86.6	46%	0.462	47%	0.473	S	S	.	.	H	α-helix	trans	-67.4	-40.4	177	-174.6	0	0	0	0	113	D58 S59 V60 Y64 E65 T66	D58-S62 WeakPolarHBondContact O-CB 3.41Å; D58-S62 PolarHBondContact O-N 3.03Å; S59-S62 PolarHBondContact O-N 3.27Å; V60-S62 PolarHBondContact O-N 3.1Å; S62-Y64 VanDerWaalsContact C-N 3.34Å; S62-E65 PolarHBondContact O-N 2.78Å; S62-T66 PolarHBondContact O-N 3.25Å; S62-T66 PolarHBondContact O-OG1 3Å; S62-T66 VanDerWaalsContact O-OG1 3.06Å
63	N	37.8	Very low	41.5	Very low	98 Å²	98	89.2 Å²	89.2	52%	0.524	48%	0.481	S	S	.	.	H	α-helix	trans	-67.2	-34.7	174.1	-73.5	-24.3	0	0	0	111.7	S59 V60 T66 H67	S59-N63 VanDerWaalsContact O-CB 3.26Å; S59-N63 WeakPolarHBondContact O-CB 3.37Å; S59-N63 PolarHBondContact O-N 3.35Å; S59-N63 PolarHBondContact O-ND2 3.21Å; V60-N63 PolarHBondContact O-N 3.38Å; N63-T66 WeakPolarHBondContact CA-OG1 3.33Å; N63-T66 PolarHBondContact O-OG1 3.46Å; N63-H67 VanDerWaalsContact O-CB 3.31Å; N63-H67 WeakPolarHBondContact O-CB 3.41Å; N63-H67 PolarHBondContact O-N 2.87Å
64	Y	39.6	Very low	41.2	Very low	122 Å²	122	92.4 Å²	92.4	48%	0.478	49%	0.49	S	S	.	.	H	α-helix	trans	-68.7	-42.4	170.4	-86.6	-66.8	0	0	0	112	V60 V61 S62 T66 H67 W68	V60-Y64 HydrophobicContact CG1-CD2 3.67Å; V60-Y64 HydrophobicContact CG1-CE2 3.69Å; V60-Y64 WeakPolarHBondContact O-CB 3.21Å; V60-Y64 VanDerWaalsContact O-CD2 3.22Å; V60-Y64 WeakPolarHBondContact O-CD2 3.22Å; V60-Y64 PolarHBondContact O-N 3.37Å; V61-Y64 PolarHBondContact O-N 3.16Å; S62-Y64 VanDerWaalsContact C-N 3.34Å; Y64-T66 VanDerWaalsContact C-N 3.3Å; Y64-T66 PolarHBondContact O-N 3.06Å; Y64-H67 PolarHBondContact O-N 2.87Å; Y64-W68 WeakPolarHBondContact O-CB 3.33Å; Y64-W68 PolarHBondContact O-N 3.38Å
65	E	39.6	Very low	40.7	Very low	111 Å²	111	96.9 Å²	96.9	52%	0.519	50%	0.497	S	S	.	.	H	α-helix	trans	-58.4	-41.1	175.9	-107.9	-148.2	-178	0	0	112.4	V61 S62 K69	V61-E65 PolarHBondContact O-N 3.45Å; S62-E65 PolarHBondContact O-N 2.78Å; E65-K69 WeakPolarHBondContact O-CB 3.49Å; E65-K69 WeakPolarHBondContact O-CD 3.18Å; E65-K69 VanDerWaalsContact O-CG 3.29Å; E65-K69 WeakPolarHBondContact O-CG 3.03Å; E65-K69 PolarHBondContact O-N 3.34Å; E65-K69 IonicContact OE2-NZ 2.7Å; E65-K69 PolarHBondContact OE2-NZ 2.95Å
66	T	46.4	Very low	40.3	Very low	66 Å²	66	100.8 Å²	100.8	41%	0.405	51%	0.512	S	S	.	.	H	α-helix	trans	-71.9	-40.1	176.8	49.7	0	0	0	0	112.3	S62 N63 Y64 K69 N70	S62-T66 PolarHBondContact O-N 3.25Å; S62-T66 PolarHBondContact O-OG1 3Å; S62-T66 VanDerWaalsContact O-OG1 3.06Å; N63-T66 WeakPolarHBondContact CA-OG1 3.33Å; N63-T66 PolarHBondContact O-OG1 3.46Å; Y64-T66 VanDerWaalsContact C-N 3.3Å; Y64-T66 PolarHBondContact O-N 3.06Å; T66-K69 PolarHBondContact O-N 2.82Å; T66-N70 WeakPolarHBondContact O-CB 3.35Å; T66-N70 VanDerWaalsContact O-CG 3.26Å; T66-N70 PolarHBondContact O-N 3.38Å; T66-N70 PolarHBondContact O-ND2 2.95Å
67	H	35.4	Very low	39.6	Very low	106 Å²	106	101.1 Å²	101.1	49%	0.491	52%	0.519	S	S	.	.	H	α-helix	trans	-59.2	-47.9	172.9	-172	-79.4	0	0	0	111.9	N63 Y64 N70 E71	N63-H67 VanDerWaalsContact O-CB 3.31Å; N63-H67 WeakPolarHBondContact O-CB 3.41Å; N63-H67 PolarHBondContact O-N 2.87Å; Y64-H67 PolarHBondContact O-N 2.87Å; H67-N70 PolarHBondContact O-N 2.86Å; H67-E71 PolarHBondContact O-N 2.86Å
68	W	34.6	Very low	38.8	Very low	147 Å²	147	102.7 Å²	102.7	56%	0.557	53%	0.529	S	S	*	.	H	α-helix	trans	-64.8	-40	177.9	-82.8	103.1	0	0	0	112.7	Y64 N70 E71 L72	Y64-W68 WeakPolarHBondContact O-CB 3.33Å; Y64-W68 PolarHBondContact O-N 3.38Å; W68-N70 VanDerWaalsContact C-N 3.33Å; W68-N70 PolarHBondContact O-N 3.47Å; W68-E71 PolarHBondContact O-N 3.48Å; W68-L72 HydrophobicContact CE3-CD1 4.42Å; W68-L72 VanDerWaalsContact O-CD1 3.24Å; W68-L72 WeakPolarHBondContact O-CD1 3.08Å; W68-L72 PolarHBondContact O-N 2.86Å
69	K	36.8	Very low	38.1	Very low	112 Å²	112	104.7 Å²	104.7	49%	0.487	54%	0.538	S	S	.	.	H	α-helix	trans	-62.3	-39.1	173.3	-77.9	165.9	-179.8	158.7	0	112	E65 T66 N73	E65-K69 WeakPolarHBondContact O-CB 3.49Å; E65-K69 WeakPolarHBondContact O-CD 3.18Å; E65-K69 VanDerWaalsContact O-CG 3.29Å; E65-K69 WeakPolarHBondContact O-CG 3.03Å; E65-K69 PolarHBondContact O-N 3.34Å; E65-K69 IonicContact OE2-NZ 2.7Å; E65-K69 PolarHBondContact OE2-NZ 2.95Å; T66-K69 PolarHBondContact O-N 2.82Å; K69-N73 VanDerWaalsContact O-CG 3.29Å; K69-N73 PolarHBondContact O-N 3.13Å; K69-N73 VanDerWaalsContact O-N 3.09Å; K69-N73 PolarHBondContact O-ND2 3.33Å
70	N	42.9	Very low	37.5	Very low	101 Å²	101	110.3 Å²	110.3	54%	0.54	56%	0.558	S	S	.	*	H	α-helix	trans	-70.3	-40.2	177.5	-71.4	-14.5	0	0	0	112.4	T66 H67 W68 N73 N74	T66-N70 WeakPolarHBondContact O-CB 3.35Å; T66-N70 VanDerWaalsContact O-CG 3.26Å; T66-N70 PolarHBondContact O-N 3.38Å; T66-N70 PolarHBondContact O-ND2 2.95Å; H67-N70 PolarHBondContact O-N 2.86Å; W68-N70 VanDerWaalsContact C-N 3.33Å; W68-N70 PolarHBondContact O-N 3.47Å; N70-N73 PolarHBondContact O-N 2.92Å; N70-N74 PolarHBondContact O-N 3.31Å
71	E	39	Very low	36.7	Very low	63 Å²	63	112.5 Å²	112.5	29%	0.294	57%	0.573	S	S	.	*	H	α-helix	trans	-62.7	-43.7	172.1	-91.5	-145.2	96.2	0	0	112.7	H67 W68 N73 N74 R75	H67-E71 PolarHBondContact O-N 2.86Å; W68-E71 PolarHBondContact O-N 3.48Å; E71-N73 VanDerWaalsContact C-N 3.31Å; E71-N73 PolarHBondContact O-N 2.81Å; E71-N74 PolarHBondContact O-N 3.38Å; E71-R75 VanDerWaalsContact O-CG 3.31Å; E71-R75 WeakPolarHBondContact O-CG 3.4Å; E71-R75 PolarHBondContact O-N 3.32Å; E71-R75 IonicContact OE1-CZ 2.74Å; E71-R75 IonicContact OE1-NE 3.82Å; E71-R75 PolarHBondContact OE1-NE 2.85Å; E71-R75 IonicContact OE1-NH2 3.61Å; E71-R75 PolarHBondContact OE1-NH2 3.38Å; E71-R75 IonicContact OE2-NH2 3.78Å
72	L	42.7	Very low	35.6	Very low	101 Å²	101	114.8 Å²	114.8	53%	0.529	59%	0.587	S	S	.	*	H	α-helix	trans	-60.3	-41.4	176	-98.7	96.9	0	0	0	111.8	W68 R75 N76	W68-L72 HydrophobicContact CE3-CD1 4.42Å; W68-L72 VanDerWaalsContact O-CD1 3.24Å; W68-L72 WeakPolarHBondContact O-CD1 3.08Å; W68-L72 PolarHBondContact O-N 2.86Å; L72-R75 PolarHBondContact O-N 3.39Å; L72-N76 PolarHBondContact O-N 3.14Å; L72-N76 PolarHBondContact O-ND2 2.92Å
73	N	39.7	Very low	35.1	Very low	100 Å²	100	119.3 Å²	119.3	54%	0.535	61%	0.607	S	S	.	*	H	α-helix	trans	-66.5	-44.1	178.6	-73.2	-21.1	0	0	0	112.1	K69 N70 E71 R75 N76	K69-N73 VanDerWaalsContact O-CG 3.29Å; K69-N73 PolarHBondContact O-N 3.13Å; K69-N73 VanDerWaalsContact O-N 3.09Å; K69-N73 PolarHBondContact O-ND2 3.33Å; N70-N73 PolarHBondContact O-N 2.92Å; E71-N73 VanDerWaalsContact C-N 3.31Å; E71-N73 PolarHBondContact O-N 2.81Å; N73-R75 VanDerWaalsContact C-N 3.32Å; N73-R75 PolarHBondContact O-N 3.18Å; N73-N76 PolarHBondContact O-N 2.84Å
74	N	43.6	Very low	34.2	Very low	120 Å²	120	121.6 Å²	121.6	64%	0.642	62%	0.616	S	S	*	*	H	α-helix	trans	-67.1	-30.2	178.6	-78.2	-5.8	0	0	0	113.2	N70 E71 N76 T77	N70-N74 PolarHBondContact O-N 3.31Å; E71-N74 PolarHBondContact O-N 3.38Å; N74-N76 VanDerWaalsContact C-N 3.34Å; N74-T77 PolarHBondContact O-OG1 2.67Å
75	R	36.2	Very low	33.3	Very low	161 Å²	161	122.1 Å²	122.1	61%	0.608	63%	0.627	S	S	*	*	H	α-helix	trans	-74	-22.8	176.5	-70.3	177.7	-170.4	-162.7	5.6	113.2	E71 L72 N73	E71-R75 VanDerWaalsContact O-CG 3.31Å; E71-R75 WeakPolarHBondContact O-CG 3.4Å; E71-R75 PolarHBondContact O-N 3.32Å; E71-R75 IonicContact OE1-CZ 2.74Å; E71-R75 IonicContact OE1-NE 3.82Å; E71-R75 PolarHBondContact OE1-NE 2.85Å; E71-R75 IonicContact OE1-NH2 3.61Å; E71-R75 PolarHBondContact OE1-NH2 3.38Å; E71-R75 IonicContact OE2-NH2 3.78Å; L72-R75 PolarHBondContact O-N 3.39Å; N73-R75 VanDerWaalsContact C-N 3.32Å; N73-R75 PolarHBondContact O-N 3.18Å
76	N	36.9	Very low	32.4	Very low	125 Å²	125	127.4 Å²	127.4	67%	0.668	64%	0.643	S	S	*	*	H	α-helix	trans	-77.2	-18.8	179.7	-75.9	-24.5	0	0	0	114.3	L72 N73 N74	L72-N76 PolarHBondContact O-N 3.14Å; L72-N76 PolarHBondContact O-ND2 2.92Å; N73-N76 PolarHBondContact O-N 2.84Å; N74-N76 VanDerWaalsContact C-N 3.34Å
77	T	34.1	Very low	31.2	Very low	117 Å²	117	132.5 Å²	132.5	72%	0.718	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-4.1	-177.4	39.9	0	0	0	0	115.2	N74	N74-T77 PolarHBondContact O-OG1 2.67Å
78	T	29.5	Very low	30.5	Very low	118 Å²	118	136.9 Å²	136.9	72%	0.724	68%	0.683	S	S	*	*			trans	-115.8	50.1	-172.5	-37.4	0	0	0	0	112.5
79	I	24.7	Very low	29.8	Very low	151 Å²	151	140 Å²	140	77%	0.774	70%	0.697	S	S	*	*			trans	-127.4	90.4	164.2	-53	179.3	0	0	0	108.5
80	Q	25.7	Very low	29.2	Very low	177 Å²	177	144.9 Å²	144.9	83%	0.827	71%	0.714	S	S	*	*			trans	-130.7	138.3	159.7	-78	-67.7	-8.4	0	0	107.9
81	P	28	Very low	28.2	Very low	112 Å²	112	144.5 Å²	144.5	73%	0.727	72%	0.719	S	S	*	*			trans	-87	163.7	-162.2	34.7	-36.3	0	0	0	114.2
82	V	20.3	Very low	27.3	Very low	136 Å²	136	147.4 Å²	147.4	82%	0.824	74%	0.741	S	S	*	*			trans	-45.5	134.1	172.4	179.5	0	0	0	0	112.9
83	N	23.6	Very low	26.5	Very low	162 Å²	162	152.4 Å²	152.4	87%	0.866	76%	0.758	S	S	*	*			trans	-145.6	153.6	148.9	-150.8	-5.5	0	0	0	111.9
84	M	20.2	Very low	25.6	Very low	146 Å²	146	152.9 Å²	152.9	72%	0.719	77%	0.769	S	S	*	*			trans	-101.7	161.7	-164.6	-62.4	-125.3	-66.3	0	0	114
85	N	20.6	Very low	24.8	Very low	133 Å²	133	155.2 Å²	155.2	71%	0.711	78%	0.776	S	S	*	*			trans	37.9	120.8	154.1	-81.7	-15.4	0	0	0	119.4
86	Y	20.4	Very low	24.3	Very low	221 Å²	221	154.9 Å²	154.9	87%	0.867	79%	0.787	S	S	*	*				-172.5	156.3	94.2	-113.1	-85.4	0	0	0	111.8
87	Q	19.9	Very low	23.7	Very low	174 Å²	174	154.5 Å²	154.5	81%	0.813	79%	0.794	S	S	*	*			trans	-71.8	142.1	168.5	-63.4	171.3	-38.8	0	0	110.9
88	Q	22.4	Very low	23.2	Very low	197 Å²	197	154.9 Å²	154.9	92%	0.921	80%	0.796	S	S	*	*			trans	-158.2	131	146.7	-117.4	166.7	8.8	0	0	112.7
89	Y	19.5	Very low	23.6	Very low	213 Å²	213	154.9 Å²	154.9	84%	0.835	80%	0.798	S	S	*	*			trans	-68	144.9	162.3	-85	-116.4	0	0	0	109.4
90	Y	24.4	Very low	23.5	Very low	215 Å²	215	154.9 Å²	154.9	84%	0.843	80%	0.8	S	S	*	*				176.1	126.5	115.8	-97.2	-67.8	0	0	0	113.2
91	S	21	Very low	23.4	Very low	92 Å²	92	153.7 Å²	153.7	64%	0.643	80%	0.799	S	S	*	*			trans	39.2	124.6	138.9	-61.3	0	0	0	0	123.8
92	T	20.8	Very low	23	Very low	124 Å²	124	153.7 Å²	153.7	76%	0.761	80%	0.801	S	S	*	*			trans	61.9	106.2	131.5	62.2	0	0	0	0	120.1
93	K	24.3	Very low	23.2	Very low	206 Å²	206	155.2 Å²	155.2	90%	0.896	80%	0.803	S	S	*	*				-124.1	116.3	126.3	-81.7	-167.2	174.3	-172.6	0	110
94	S	22.6	Very low	22.9	Very low	110 Å²	110	158 Å²	158	77%	0.769	80%	0.801	S	S	*	*			trans	-96.1	119.8	169	51.4	0	0	0	0	109.3
95	E	26.1	Very low	22.9	Very low	169 Å²	169	155.2 Å²	155.2	79%	0.79	80%	0.796	S	S	*	*			trans	-134.5	113.2	158.4	-72.3	-172.2	171.3	0	0	108.5
96	N	25	Very low	23	Very low	154 Å²	154	157.5 Å²	157.5	82%	0.824	80%	0.802	S	S	*	*			trans	43.3	129.3	139.9	-49.3	-30.7	0	0	0	118.8
97	S	24.4	Very low	23.2	Very low	117 Å²	117	152.3 Å²	152.3	82%	0.818	80%	0.798	S	S	*	*			cis	-159.9	171.7	16.2	47.6	0	0	0	0	112.7
98	T	23.7	Very low	23.1	Very low	125 Å²	125	154.5 Å²	154.5	77%	0.767	80%	0.801	S	S	*	*			trans	-69.6	160.7	-168.8	32.4	0	0	0	0	116.4
99	P	37.2	Very low	23.8	Very low	119 Å²	119	149.9 Å²	149.9	77%	0.773	79%	0.788	S	S	*	*			trans	-82.7	143.4	-176.4	33.7	-35.2	0	0	0	113
100	N	24.5	Very low	24	Very low	151 Å²	151	146.3 Å²	146.3	81%	0.807	79%	0.788	S	S	*	*			trans	-128.5	103.6	171	-97.5	-36.4	0	0	0	112.5
101	L	22.1	Very low	23.8	Very low	152 Å²	152	145 Å²	145	80%	0.796	78%	0.783	S	S	*	*			trans	28.1	115.6	133.2	-68	161.2	0	0	0	119.8
102	S	19.3	Very low	24	Very low	112 Å²	112	148.1 Å²	148.1	78%	0.783	79%	0.793	S	S	*	*			trans	5.9	117.3	137.3	-170.7	0	0	0	0	118.3
103	I	25.9	Very low	24	Very low	168 Å²	168	148.8 Å²	148.8	86%	0.862	79%	0.787	S	S	*	*			trans	-122.8	123.7	148.5	-63.9	-178.2	0	0	0	109
104	R	16.8	Very low	24.1	Very low	221 Å²	221	147.5 Å²	147.5	83%	0.834	78%	0.784	S	S	*	*			trans	-93	154.4	174.3	179.5	-171.4	174.7	-178.7	-0.9	109.2
105	S	20.4	Very low	24	Very low	86 Å²	86	149.2 Å²	149.2	60%	0.601	78%	0.779	S	S	*	*			trans	99.5	139.5	149.7	82.3	0	0	0	0	120.4
106	Q	21.7	Very low	23.9	Very low	181 Å²	181	147.1 Å²	147.1	85%	0.846	77%	0.773	S	S	*	*			trans	71.9	142.5	152.6	-66.8	161.3	29.2	0	0	117.1
107	S	24.5	Very low	23.7	Very low	112 Å²	112	146.6 Å²	146.6	78%	0.783	77%	0.766	S	S	*	*			cis	-160.5	157.3	1.3	39.5	0	0	0	0	113.2
108	Y	19.4	Very low	23.8	Very low	220 Å²	220	150.3 Å²	150.3	86%	0.863	77%	0.767	S	S	*	*			trans	-61.7	-175.7	160.3	-79.2	-86.7	0	0	0	113.1
109	P	35.5	Very low	23.7	Very low	100 Å²	100	150.2 Å²	150.2	65%	0.649	76%	0.758	S	S	*	*			cis	-131	177.3	-29.6	30.5	-12.2	0	0	0	112.8
110	T	24.8	Very low	23	Very low	138 Å²	138	153.7 Å²	153.7	85%	0.847	76%	0.757	S	S	*	*			trans	-155.2	114.6	132.5	-17	0	0	0	0	111.9
111	Y	20	Very low	22.9	Very low	189 Å²	189	153.3 Å²	153.3	74%	0.741	76%	0.76	S	S	*	*			trans	-76.4	149.7	157.5	-99.4	-104.4	0	0	0	108.9	H113	Y111-H113 AromaticContact CD1-CD2 3.84Å; Y111-H113 AromaticContact CE1-NE2 3.98Å
112	N	25.5	Very low	22.8	Very low	157 Å²	157	150.9 Å²	150.9	84%	0.84	75%	0.751	S	S	*	*			trans	-145.7	111.4	149.7	-104.4	-20.1	0	0	0	110.1
113	H	19.6	Very low	23	Very low	138 Å²	138	151 Å²	151	64%	0.639	75%	0.75	S	S	*	*			trans	-85.1	125.2	166.9	-91.6	-88.5	0	0	0	109.4	Y111	Y111-H113 AromaticContact CD1-CD2 3.84Å; Y111-H113 AromaticContact CE1-NE2 3.98Å
114	H	27.2	Very low	22.8	Very low	179 Å²	179	149 Å²	149	83%	0.829	74%	0.74	S	S	*	*			trans	-131.3	105.2	141.7	-78	-52.4	0	0	0	103.5
115	E	20.3	Very low	23.1	Very low	145 Å²	145	146.8 Å²	146.8	68%	0.678	74%	0.737	S	S	*	*			cis	67.1	137	39.8	-142.5	-171.2	-141.1	0	0	113.2
116	L	25	Very low	23.4	Very low	126 Å²	126	149.6 Å²	149.6	66%	0.66	75%	0.745	S	S	*	*			trans	72.4	94.2	176.7	-59.9	155.2	0	0	0	114.6
117	E	20.5	Very low	23.4	Very low	143 Å²	143	145.7 Å²	145.7	67%	0.668	74%	0.737	S	S	*	*				86	117.3	83.4	-88.2	-166.1	148.6	0	0	113.4
118	K	26.1	Very low	23.3	Very low	195 Å²	195	144.9 Å²	144.9	85%	0.848	74%	0.737	S	S	*	*				-160.1	95.1	129	-108	153.6	-167.7	174.2	0	112.4
119	H	22.5	Very low	23.5	Very low	123 Å²	123	142.2 Å²	142.2	57%	0.569	73%	0.732	S	S	*	*			trans	42.1	116.8	140.9	-52.9	-45.4	0	0	0	121
120	Y	21.1	Very low	22.9	Very low	192 Å²	192	144.4 Å²	144.4	75%	0.753	73%	0.734	S	S	*	*				36.7	105.3	122.1	-62.5	-78.5	0	0	0	118.6
121	V	23.1	Very low	22.8	Very low	143 Å²	143	144.7 Å²	144.7	87%	0.867	73%	0.725	S	S	*	*				-133.7	84	119.4	-172.2	0	0	0	0	108.9	P123	V121-P123 WeakPolarHBondContact O-CD 3.43Å
122	T	20.5	Very low	23.2	Very low	101 Å²	101	140.3 Å²	140.3	62%	0.62	72%	0.718	S	S	*	*			trans	-98.3	103.4	160.9	8.4	0	0	0	0	108.3	N124	T122-N124 PolarHBondContact O-N 3.3Å
123	P	22.4	Very low	23.2	Very low	115 Å²	115	136.8 Å²	136.8	75%	0.747	71%	0.706	S	S	*	*			trans	-76.7	114.1	161.3	30	-25.4	0	0	0	107.6	V121	V121-P123 WeakPolarHBondContact O-CD 3.43Å
124	N	22.3	Very low	23.5	Very low	124 Å²	124	132.4 Å²	132.4	66%	0.663	69%	0.691	S	S	*	*			trans	-72.1	165.7	175.3	-73.3	-38.9	0	0	0	112.1	T122	T122-N124 PolarHBondContact O-N 3.3Å
125	F	23.5	Very low	24	Very low	176 Å²	176	127.6 Å²	127.6	77%	0.772	68%	0.675	S	S	*	*			trans	88.8	124.5	146.3	-74.3	-58.2	0	0	0	121.5
126	L	25.6	Very low	24.5	Very low	145 Å²	145	127.1 Å²	127.1	76%	0.759	67%	0.671	S	S	*	*			trans	79.1	90.3	140.9	-62.5	165.8	0	0	0	119.6
127	S	22.6	Very low	24.8	Very low	99 Å²	99	127 Å²	127	69%	0.692	68%	0.678	S	S	*	*				21.5	122.1	117.3	58.9	0	0	0	0	120.2
128	A	22.4	Very low	25.3	Very low	95 Å²	95	126.9 Å²	126.9	79%	0.785	69%	0.687	S	S	*	*			trans	82.7	134	141.8	0	0	0	0	0	121.9
129	H	22.6	Very low	25.5	Very low	163 Å²	163	128.5 Å²	128.5	76%	0.755	69%	0.688	S	S	*	*			trans	77.9	109.8	157.4	-78.2	-51.3	0	0	0	123.9
130	H	24	Very low	25.9	Very low	147 Å²	147	128.1 Å²	128.1	68%	0.681	70%	0.696	S	S	*	*				64.1	110.9	128.9	-73.6	-39.3	0	0	0	124.9
131	Q	22.5	Very low	26.4	Very low	143 Å²	143	124.1 Å²	124.1	67%	0.668	70%	0.696	S	S	*	*				73.9	83.7	125.2	-71.7	-174.9	0.9	0	0	122.3	R25	R25-Q131 WeakPolarHBondContact CD-O 3.4Å; R25-Q131 PolarHBondContact NH1-O 3.38Å
132	V	28.7	Very low	26.8	Very low	98 Å²	98	124.9 Å²	124.9	59%	0.594	70%	0.696	S	S	*	*			trans	51.1	178.7	138.1	-78.9	0	0	0	0	124.5	R25	R25-V132 HydrophobicContact CB-CB 3.82Å; R25-V132 HydrophobicContact CB-CG2 3.62Å; R25-V132 VanDerWaalsContact CD-O 3.31Å; R25-V132 WeakPolarHBondContact CD-O 3.08Å; R25-V132 HydrophobicContact CG-CB 4.45Å; R25-V132 HydrophobicContact CG-CG2 4.11Å; R25-V132 PolarHBondContact NH1-O 3.4Å
133	S	25.3	Very low	28.1	Very low	82 Å²	82	124.8 Å²	124.8	57%	0.573	70%	0.697	S	S	*	*	B	Isolated β-bridge	trans	-166.5	145.9	177.4	-86.7	0	0	0	0	117.3	K26	K26-S133 CarbonylContact C-O 3.32Å; K26-S133 VanDerWaalsContact C-O 3.32Å; K26-S133 WeakPolarHBondContact CA-O 3.43Å; K26-S133 WeakPolarHBondContact CB-O 3.26Å; K26-S133 PolarHBondContact N-O 3.04Å; K26-S133 PolarHBondContact O-N 3.01Å
134	S	25.8	Very low	28.4	Very low	47 Å²	47	125.1 Å²	125.1	33%	0.329	70%	0.699	S	S	.	*			trans	-104.1	-170.1	-155.6	28	0	0	0	0	121.1	D24 R25 K26	D24-S134 VanDerWaalsContact C-OG 3.23Å; D24-S134 VanDerWaalsContact CB-CB 3.47Å; D24-S134 WeakPolarHBondContact O-CB 3.31Å; D24-S134 PolarHBondContact O-OG 3.11Å; D24-S134 WeakPolarHBondContact OD1-CB 3.41Å; R25-S134 VanDerWaalsContact CA-CB 3.5Å; K26-S134 VanDerWaalsContact CD-C 3.41Å; K26-S134 WeakPolarHBondContact CD-O 3.48Å; K26-S134 VanDerWaalsContact CE-C 3.44Å; K26-S134 WeakPolarHBondContact CE-O 3.06Å; K26-S134 PolarHBondContact NZ-O 3.38Å; K26-S134 VanDerWaalsContact NZ-O 3.08Å
135	P	37.4	Very low	28.8	Very low	77 Å²	77	126.8 Å²	126.8	50%	0.5	71%	0.707	S	S	.	*			cis	-135.4	-165.1	-0.1	37.9	-14.7	0	0	0	118.4	K26	K26-P135 WeakPolarHBondContact CE-O 3.15Å
136	K	30.4	Very low	29.1	Very low	135 Å²	135	126.2 Å²	126.2	59%	0.587	71%	0.71	S	S	*	*			trans	-83.9	177	-169.1	-57.1	-179.1	-175.8	66.6	0	119.4	N22 D24	N22-K136 PolarHBondContact OD1-NZ 3.42Å; D24-K136 IonicContact OD1-NZ 2.67Å; D24-K136 IonicContact OD2-NZ 3.37Å
137	P	31.3	Very low	29.1	Very low	125 Å²	125	124.1 Å²	124.1	81%	0.812	71%	0.708	S	S	*	*				-136	-154.6	114.4	41.8	-31	0	0	0	116.4
138	T	31.7	Very low	30	Very low	140 Å²	140	125.6 Å²	125.6	86%	0.859	72%	0.715	S	S	*	*				-126.3	161.3	-125.6	-51	0	0	0	0	116.7
139	R	29.2	Very low	30.2	Very low	229 Å²	229	128.7 Å²	128.7	86%	0.864	72%	0.715	S	S	*	*			trans	-119.6	141.6	-177	-171.9	-163.7	-175.7	-172.1	4.1	113
140	P	32.4	Very low	30.5	Very low	115 Å²	115	127.9 Å²	127.9	75%	0.747	72%	0.716	S	S	*	*			trans	-89	173	170.1	34.5	-32.2	0	0	0	114.1
141	S	30.3	Very low	30.8	Very low	107 Å²	107	129.4 Å²	129.4	75%	0.748	72%	0.724	S	S	*	*			trans	-122.3	130.2	-152.6	52.7	0	0	0	0	116.3
142	N	31.6	Very low	31.2	Very low	160 Å²	160	129.9 Å²	129.9	86%	0.856	73%	0.725	S	S	*	*			trans	75	156	148.5	-82.4	10.2	0	0	0	119.4
143	P	48.6	Very low	31	Very low	98 Å²	98	132.8 Å²	132.8	64%	0.636	73%	0.732	S	S	*	*				-136.2	-170.1	-123.2	45	-29.6	0	0	0	114.6
144	P	28.6	Very low	31	Very low	123 Å²	123	140.5 Å²	140.5	80%	0.799	75%	0.749	S	S	*	*			trans	-114.8	134.4	148.8	32.7	-21.8	0	0	0	112.4
145	L	29.7	Very low	31	Very low	158 Å²	158	143.9 Å²	143.9	83%	0.827	77%	0.771	S	S	*	*			trans	-99.9	115.3	171.6	-77	161.7	0	0	0	109.3
146	I	29.9	Very low	30.9	Very low	165 Å²	165	146.6 Å²	146.6	85%	0.846	78%	0.782	S	S	*	*			trans	-131.1	111.7	157.5	-62.9	179	0	0	0	106.2
147	S	27	Very low	31.1	Very low	101 Å²	101	149.6 Å²	149.6	71%	0.706	79%	0.789	S	S	*	*			trans	-83.2	150.3	175.8	-84.1	0	0	0	0	110.9	M149	S147-M149 PolarHBondContact O-N 3.08Å
148	P	40.7	Very low	31.1	Very low	130 Å²	130	150.3 Å²	150.3	84%	0.844	79%	0.786	S	S	*	*			trans	-85.7	111.5	-168.9	32.7	-33	0	0	0	111.5
149	M	25.7	Very low	31.5	Very low	159 Å²	159	148.4 Å²	148.4	78%	0.783	77%	0.77	S	S	*	*			trans	-147.8	42.5	166.4	-147.9	-159.6	79.9	0	0	114	S147	S147-M149 PolarHBondContact O-N 3.08Å
150	D	29.7	Very low	31.8	Very low	147 Å²	147	144 Å²	144	79%	0.786	76%	0.759	S	S	*	*	S	Bend	trans	-121.7	125.6	164.3	-98	-56.2	0	0	0	110.8
151	H	31.4	Very low	32.1	Very low	179 Å²	179	146.7 Å²	146.7	83%	0.829	76%	0.759	S	S	*	*			trans	75.7	74.5	169.6	-63.3	61.3	0	0	0	117.5
152	H	29	Very low	32.6	Very low	153 Å²	153	146.6 Å²	146.6	71%	0.708	75%	0.75	S	S	*	*			trans	-67.6	131.5	158	-95.1	-92.6	0	0	0	112.9
153	Q	25.6	Very low	33.1	Very low	158 Å²	158	143.3 Å²	143.3	74%	0.738	73%	0.73	S	S	*	*			trans	45.5	96.4	132.6	-65.5	168.8	-33.6	0	0	119.8
154	R	24.5	Very low	33.1	Very low	245 Å²	245	142.7 Å²	142.7	93%	0.925	72%	0.72	S	S	*	*			trans	-132	153.1	130.4	-72	-172.2	175.8	177.2	-1.1	107.7
155	C	25.6	Very low	33.8	Very low	117 Å²	117	138.8 Å²	138.8	79%	0.791	70%	0.702	S	S	*	*			trans	69.1	133.1	-162.4	-50.4	0	0	0	0	111.8
156	D	35.9	Very low	34.9	Very low	135 Å²	135	135.9 Å²	135.9	72%	0.722	69%	0.687	S	S	*	*	S	Bend	cis	-127.2	140	7.5	-48.8	-58.5	0	0	0	110.3
157	R	34.5	Very low	35.6	Very low	197 Å²	197	134.1 Å²	134.1	74%	0.743	67%	0.669	S	S	*	*	S	Bend	trans	179.3	-5	164.3	-91.5	-120.1	172.7	108.9	9.5	115.4
158	L	31.6	Very low	36.6	Very low	141 Å²	141	137.8 Å²	137.8	74%	0.738	67%	0.668	S	S	*	*	S	Bend	trans	-85.8	-20.6	178.3	-74.2	172.2	0	0	0	113.3
159	D	40.7	Very low	37	Very low	99 Å²	99	135.9 Å²	135.9	53%	0.529	65%	0.65	S	S	.	*	H	α-helix	trans	-72.9	-37	-172.2	-52.2	-63.4	0	0	0	113.6	K161 N162 E163	D159-K161 VanDerWaalsContact C-N 3.29Å; D159-K161 PolarHBondContact O-N 2.73Å; D159-N162 PolarHBondContact O-N 2.84Å; D159-N162 VanDerWaalsContact O-N 3.08Å; D159-E163 PolarHBondContact O-N 3.45Å
160	E	35.3	Very low	38.2	Very low	138 Å²	138	132.6 Å²	132.6	65%	0.645	64%	0.636	S	S	*	*	H	α-helix	trans	-57.5	-38.2	178.6	-83.8	-175.9	141.4	0	0	113.2	I164	E160-I164 WeakPolarHBondContact O-CD1 3.49Å; E160-I164 VanDerWaalsContact O-CG1 3.26Å; E160-I164 WeakPolarHBondContact O-CG1 3.34Å; E160-I164 PolarHBondContact O-N 2.9Å
161	K	38.2	Very low	39	Very low	171 Å²	171	130.9 Å²	130.9	74%	0.743	63%	0.626	S	S	*	*	H	α-helix	trans	-73.3	-35.8	177.6	-80.5	-171	175	-175.8	0	112.2	D159 G165	D159-K161 VanDerWaalsContact C-N 3.29Å; D159-K161 PolarHBondContact O-N 2.73Å; K161-G165 PolarHBondContact O-N 3.2Å
162	N	41	Very low	39.7	Very low	105 Å²	105	126.5 Å²	126.5	56%	0.561	61%	0.612	S	S	*	*	H	α-helix	trans	-69.9	-41.1	176.2	-78	-6.9	0	0	0	111.1	D159 I164 G165 I166	D159-N162 PolarHBondContact O-N 2.84Å; D159-N162 VanDerWaalsContact O-N 3.08Å; N162-I164 PolarHBondContact O-N 2.91Å; N162-G165 PolarHBondContact O-N 3.45Å; N162-G165 VanDerWaalsContact O-N 3.16Å; N162-I166 WeakPolarHBondContact O-CB 3.48Å; N162-I166 VanDerWaalsContact O-CG1 3.25Å; N162-I166 WeakPolarHBondContact O-CG1 3.46Å; N162-I166 PolarHBondContact O-N 3.14Å
163	E	41.9	Very low	40	Very low	91 Å²	91	122.4 Å²	122.4	43%	0.425	60%	0.595	S	S	.	*	H	α-helix	trans	-59.4	-44.4	173.1	-76.5	-164.8	167.2	0	0	112.4	D159 G165 I166 R167	D159-E163 PolarHBondContact O-N 3.45Å; E163-G165 VanDerWaalsContact C-N 3.28Å; E163-G165 PolarHBondContact O-N 2.88Å; E163-I166 PolarHBondContact O-N 3.27Å; E163-R167 WeakPolarHBondContact O-CB 3.48Å; E163-R167 VanDerWaalsContact O-CG 3.26Å; E163-R167 WeakPolarHBondContact O-CG 3.29Å; E163-R167 PolarHBondContact O-N 3.46Å; E163-R167 IonicContact OE2-CZ 3.62Å; E163-R167 IonicContact OE2-NH2 3.32Å; E163-R167 PolarHBondContact OE2-NH2 2.89Å
164	I	47.7	Very low	41.1	Very low	85 Å²	85	118.9 Å²	118.9	44%	0.436	59%	0.587	S	S	.	*	H	α-helix	trans	-64.1	-36.6	176.6	-66.1	164.2	0	0	0	110.9	E160 N162 R168	E160-I164 WeakPolarHBondContact O-CD1 3.49Å; E160-I164 VanDerWaalsContact O-CG1 3.26Å; E160-I164 WeakPolarHBondContact O-CG1 3.34Å; E160-I164 PolarHBondContact O-N 2.9Å; N162-I164 PolarHBondContact O-N 2.91Å; I164-R168 WeakPolarHBondContact O-CB 3.48Å; I164-R168 VanDerWaalsContact O-CG 3.27Å; I164-R168 WeakPolarHBondContact O-CG 3.21Å; I164-R168 PolarHBondContact O-N 3.22Å; I164-R168 VanDerWaalsContact O-N 3.12Å
165	G	44.5	Very low	42.1	Very low	41 Å²	41	112.8 Å²	112.8	42%	0.423	57%	0.572	S	S	.	*	H	α-helix	trans	-64	-48.6	173.7	0	0	0	0	0	112.7	K161 N162 E163 R168 L169	K161-G165 PolarHBondContact O-N 3.2Å; N162-G165 PolarHBondContact O-N 3.45Å; N162-G165 VanDerWaalsContact O-N 3.16Å; E163-G165 VanDerWaalsContact C-N 3.28Å; E163-G165 PolarHBondContact O-N 2.88Å; G165-R168 PolarHBondContact O-N 3.24Å; G165-L169 WeakPolarHBondContact O-CB 3.39Å; G165-L169 PolarHBondContact O-N 3.43Å
166	I	51.9	Low	42.6	Very low	97 Å²	97	112.8 Å²	112.8	50%	0.497	56%	0.564	S	S	.	*	H	α-helix	trans	-62.2	-51.4	178.2	-68	162.3	0	0	0	110.2	N162 E163 R168 L169 D170	N162-I166 WeakPolarHBondContact O-CB 3.48Å; N162-I166 VanDerWaalsContact O-CG1 3.25Å; N162-I166 WeakPolarHBondContact O-CG1 3.46Å; N162-I166 PolarHBondContact O-N 3.14Å; E163-I166 PolarHBondContact O-N 3.27Å; I166-R168 VanDerWaalsContact C-N 3.25Å; I166-R168 PolarHBondContact O-N 3.06Å; I166-L169 CarbonylContact O-C 3.56Å; I166-L169 WeakPolarHBondContact O-CB 3.27Å; I166-L169 PolarHBondContact O-N 3.11Å; I166-D170 WeakPolarHBondContact CG2-OD2 3.24Å; I166-D170 WeakPolarHBondContact O-CB 3.32Å; I166-D170 PolarHBondContact O-N 2.9Å
167	R	46.1	Very low	42.8	Very low	128 Å²	128	112.3 Å²	112.3	48%	0.483	57%	0.569	S	S	.	*	H	α-helix	trans	-57.1	-37.2	177.4	-70.2	174.9	-165.8	161.3	9.9	112.7	E163 L171	E163-R167 WeakPolarHBondContact O-CB 3.48Å; E163-R167 VanDerWaalsContact O-CG 3.26Å; E163-R167 WeakPolarHBondContact O-CG 3.29Å; E163-R167 PolarHBondContact O-N 3.46Å; E163-R167 IonicContact OE2-CZ 3.62Å; E163-R167 IonicContact OE2-NH2 3.32Å; E163-R167 PolarHBondContact OE2-NH2 2.89Å; R167-L171 WeakPolarHBondContact O-CB 3.27Å; R167-L171 PolarHBondContact O-N 3.1Å
168	R	48	Very low	42.8	Very low	177 Å²	177	106.4 Å²	106.4	67%	0.668	57%	0.569	S	S	*	*	H	α-helix	trans	-69.5	-41.2	174.8	-79.1	175.5	170.2	-172.8	-4.6	112.2	I164 G165 I166 L171 V172	I164-R168 WeakPolarHBondContact O-CB 3.48Å; I164-R168 VanDerWaalsContact O-CG 3.27Å; I164-R168 WeakPolarHBondContact O-CG 3.21Å; I164-R168 PolarHBondContact O-N 3.22Å; I164-R168 VanDerWaalsContact O-N 3.12Å; G165-R168 PolarHBondContact O-N 3.24Å; I166-R168 VanDerWaalsContact C-N 3.25Å; I166-R168 PolarHBondContact O-N 3.06Å; R168-L171 PolarHBondContact O-N 3.2Å; R168-V172 VanDerWaalsContact O-CG2 3.31Å; R168-V172 WeakPolarHBondContact O-CG2 3.36Å; R168-V172 PolarHBondContact O-N 2.78Å
169	L	47.9	Very low	42.7	Very low	91 Å²	91	102.3 Å²	102.3	48%	0.476	56%	0.561	S	S	.	*	H	α-helix	trans	-65.9	-44.3	177	-170.2	66.1	0	0	0	111	G165 I166 L171 V172 N173	G165-L169 WeakPolarHBondContact O-CB 3.39Å; G165-L169 PolarHBondContact O-N 3.43Å; I166-L169 CarbonylContact O-C 3.56Å; I166-L169 WeakPolarHBondContact O-CB 3.27Å; I166-L169 PolarHBondContact O-N 3.11Å; L169-L171 PolarHBondContact O-N 3.2Å; L169-V172 PolarHBondContact O-N 2.97Å; L169-N173 WeakPolarHBondContact O-CB 3.35Å; L169-N173 PolarHBondContact O-N 2.74Å; L169-N173 PolarHBondContact O-ND2 2.88Å
170	D	51.5	Low	42.2	Very low	90 Å²	90	106.6 Å²	106.6	48%	0.481	58%	0.575	S	S	.	*	H	α-helix	trans	-62.2	-40.5	175	-70.9	-26	0	0	0	111.8	I166 N173 S174	I166-D170 WeakPolarHBondContact CG2-OD2 3.24Å; I166-D170 WeakPolarHBondContact O-CB 3.32Å; I166-D170 PolarHBondContact O-N 2.9Å; D170-N173 PolarHBondContact O-N 3.41Å; D170-S174 VanDerWaalsContact O-CB 3.27Å; D170-S174 WeakPolarHBondContact O-CB 3.42Å; D170-S174 PolarHBondContact O-N 2.69Å; D170-S174 PolarHBondContact O-OG 3.16Å
171	L	45.1	Very low	41.8	Very low	110 Å²	110	108 Å²	108	58%	0.576	58%	0.579	S	S	*	*	H	α-helix	trans	-62.1	-48	174.3	-158.2	87.9	0	0	0	111.2	R167 R168 L169 N173 S174 I175	R167-L171 WeakPolarHBondContact O-CB 3.27Å; R167-L171 PolarHBondContact O-N 3.1Å; R168-L171 PolarHBondContact O-N 3.2Å; L169-L171 PolarHBondContact O-N 3.2Å; L171-N173 PolarHBondContact O-N 3.38Å; L171-S174 PolarHBondContact O-N 2.7Å; L171-S174 PolarHBondContact O-OG 3.47Å; L171-I175 HydrophobicContact CD2-CD1 4.33Å; L171-I175 HydrophobicContact CG-CD1 4.21Å; L171-I175 WeakPolarHBondContact O-CD1 3.4Å; L171-I175 VanDerWaalsContact O-CG1 3.29Å; L171-I175 WeakPolarHBondContact O-CG1 3.49Å; L171-I175 PolarHBondContact O-N 3.34Å
172	V	47.2	Very low	41.3	Very low	88 Å²	88	105.7 Å²	105.7	53%	0.533	58%	0.579	S	S	.	*	H	α-helix	trans	-61.1	-42.7	177	169.5	0	0	0	0	111.6	R168 L169 S174 I175 N176	R168-V172 VanDerWaalsContact O-CG2 3.31Å; R168-V172 WeakPolarHBondContact O-CG2 3.36Å; R168-V172 PolarHBondContact O-N 2.78Å; L169-V172 PolarHBondContact O-N 2.97Å; V172-S174 VanDerWaalsContact C-N 3.33Å; V172-S174 PolarHBondContact O-N 2.97Å; V172-I175 PolarHBondContact O-N 3.47Å; V172-N176 PolarHBondContact O-N 2.58Å; V172-N176 VanDerWaalsContact O-N 3.16Å
173	N	36.2	Very low	40.6	Very low	67 Å²	67	107.8 Å²	107.8	36%	0.358	59%	0.59	S	S	.	*	H	α-helix	trans	-66.3	-34.3	176.1	-68.4	-19.5	0	0	0	112	L169 D170 L171 N176	L169-N173 WeakPolarHBondContact O-CB 3.35Å; L169-N173 PolarHBondContact O-N 2.74Å; L169-N173 PolarHBondContact O-ND2 2.88Å; D170-N173 PolarHBondContact O-N 3.41Å; L171-N173 PolarHBondContact O-N 3.38Å; N173-N176 CarbonylContact O-C 3.5Å; N173-N176 VanDerWaalsContact O-C 3.24Å; N173-N176 PolarHBondContact O-N 3.5Å
174	S	47.3	Very low	39.7	Very low	83 Å²	83	114.1 Å²	114.1	58%	0.58	61%	0.612	S	S	*	*	H	α-helix	trans	-70.9	-30.4	176.9	78.3	0	0	0	0	113	D170 L171 V172	D170-S174 VanDerWaalsContact O-CB 3.27Å; D170-S174 WeakPolarHBondContact O-CB 3.42Å; D170-S174 PolarHBondContact O-N 2.69Å; D170-S174 PolarHBondContact O-OG 3.16Å; L171-S174 PolarHBondContact O-N 2.7Å; L171-S174 PolarHBondContact O-OG 3.47Å; V172-S174 VanDerWaalsContact C-N 3.33Å; V172-S174 PolarHBondContact O-N 2.97Å
175	I	47	Very low	38.5	Very low	118 Å²	118	116 Å²	116	61%	0.605	62%	0.623	S	S	*	*	H	α-helix	trans	-77.2	-26.2	176	-66.8	162.3	0	0	0	110.8	L171 V172	L171-I175 HydrophobicContact CD2-CD1 4.33Å; L171-I175 HydrophobicContact CG-CD1 4.21Å; L171-I175 WeakPolarHBondContact O-CD1 3.4Å; L171-I175 VanDerWaalsContact O-CG1 3.29Å; L171-I175 WeakPolarHBondContact O-CG1 3.49Å; L171-I175 PolarHBondContact O-N 3.34Å; V172-I175 PolarHBondContact O-N 3.47Å
176	N	35.8	Very low	37.6	Very low	117 Å²	117	122 Å²	122	63%	0.626	64%	0.639	S	S	*	*			trans	-132.3	72.6	-178.5	-101.2	-29.6	0	0	0	112.9	V172 N173 G178 G179	V172-N176 PolarHBondContact O-N 2.58Å; V172-N176 VanDerWaalsContact O-N 3.16Å; N173-N176 CarbonylContact O-C 3.5Å; N173-N176 VanDerWaalsContact O-C 3.24Å; N173-N176 PolarHBondContact O-N 3.5Å; N176-G178 PolarHBondContact O-N 2.99Å; N176-G179 PolarHBondContact O-N 3.44Å
177	P	39.9	Very low	36.1	Very low	125 Å²	125	120.9 Å²	120.9	81%	0.812	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	5.3	-179.4	29.6	-36.2	0	0	0	115.1
178	G	33.4	Very low	34.8	Very low	72 Å²	72	123.2 Å²	123.2	74%	0.742	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	-6.8	-179.1	0	0	0	0	0	115.9	N176 K180	N176-G178 PolarHBondContact O-N 2.99Å; G178-K180 PolarHBondContact O-N 3.43Å; G178-K180 VanDerWaalsContact O-N 3.17Å
179	G	30.3	Very low	33.7	Very low	56 Å²	56	122.8 Å²	122.8	58%	0.577	67%	0.672	S	S	*	*			trans	-82.7	89.1	-175.6	0	0	0	0	0	113	N176 F181	N176-G179 PolarHBondContact O-N 3.44Å; G179-F181 PolarHBondContact O-N 3.16Å
180	K	29.9	Very low	32.5	Very low	188 Å²	188	125 Å²	125	82%	0.817	68%	0.684	S	S	*	*			trans	-60.3	121.6	163.4	-72.5	-177.8	179.2	178.2	0	108.5	G178 T182	G178-K180 PolarHBondContact O-N 3.43Å; G178-K180 VanDerWaalsContact O-N 3.17Å; K180-T182 PolarHBondContact O-N 2.82Å
181	F	27.8	Very low	31.2	Very low	169 Å²	169	128 Å²	128	74%	0.741	70%	0.7	S	S	*	*			trans	-62.3	101.3	160.6	-80.5	-101.8	0	0	0	107.5	G179	G179-F181 PolarHBondContact O-N 3.16Å
182	T	27.6	Very low	30.1	Very low	122 Å²	122	128.6 Å²	128.6	75%	0.748	71%	0.708	S	S	*	*			trans	-94.6	114.3	164.3	49.7	0	0	0	0	107.4	K180	K180-T182 PolarHBondContact O-N 2.82Å
183	D	26.2	Very low	29.2	Very low	148 Å²	148	130.3 Å²	130.3	79%	0.791	72%	0.718	S	S	*	*			trans	-58	159.7	176.7	-69.8	-59.8	0	0	0	112.4	D185	D183-D185 PolarHBondContact O-N 3.29Å
184	Y	21.4	Very low	28.4	Very low	225 Å²	225	137 Å²	137	88%	0.882	74%	0.739	S	S	*	*	S	Bend	trans	-55.6	116.1	161	-70.7	-109.1	0	0	0	108.6
185	D	22.9	Very low	27.4	Very low	124 Å²	124	143.4 Å²	143.4	66%	0.663	75%	0.752	S	S	*	*				178.7	160.8	95.7	-122.5	-42.6	0	0	0	113.8	D183	D183-D185 PolarHBondContact O-N 3.29Å
186	H	25.1	Very low	26.2	Very low	166 Å²	166	147 Å²	147	77%	0.769	76%	0.759	S	S	*	*			trans	58.7	107.5	155.8	-58	-4.7	0	0	0	120.6
187	G	20.6	Very low	25.5	Very low	74 Å²	74	148.4 Å²	148.4	76%	0.763	77%	0.766	S	S	*	*				87.1	103.7	119.4	0	0	0	0	0	120.7
188	H	20.4	Very low	24.8	Very low	178 Å²	178	149 Å²	149	82%	0.824	77%	0.768	S	S	*	*			trans	62.4	140.3	135.8	-103.2	-68.8	0	0	0	122.4
189	F	25.1	Very low	24.3	Very low	168 Å²	168	153.5 Å²	153.5	74%	0.737	77%	0.77	S	S	*	*			trans	88.5	101.2	165.1	-67.9	-74.1	0	0	0	120
190	D	21.8	Very low	24.2	Very low	138 Å²	138	156.9 Å²	156.9	74%	0.738	78%	0.782	S	S	*	*				51.3	114	121.1	-58.9	-3.7	0	0	0	121.8
191	D	23.7	Very low	24	Very low	152 Å²	152	155.8 Å²	155.8	81%	0.813	78%	0.784	S	S	*	*			trans	50.1	133.7	130.5	-103.5	-18.7	0	0	0	123.5
192	T	22.2	Very low	23.7	Very low	122 Å²	122	152.7 Å²	152.7	75%	0.748	78%	0.783	S	S	*	*			trans	70.9	94.8	159.7	64.4	0	0	0	0	120.3
193	V	28.5	Very low	23.6	Very low	124 Å²	124	154.5 Å²	154.5	75%	0.752	79%	0.785	S	S	*	*			trans	-130.1	111.1	142.9	-177.5	0	0	0	0	109.9	Y195	V193-Y195 HydrophobicContact CG1-CD2 3.99Å; V193-Y195 HydrophobicContact CG1-CE2 3.7Å
194	R	18.7	Very low	23.4	Very low	207 Å²	207	156 Å²	156	78%	0.781	79%	0.787	S	S	*	*			trans	-76.2	135.7	171.8	-63.6	177.3	-179.9	171.1	0.9	109.9
195	Y	26.9	Very low	23.5	Very low	219 Å²	219	154 Å²	154	86%	0.859	78%	0.783	S	S	*	*			trans	-118.7	127	157.3	-89	-87.5	0	0	0	109.7	V193	V193-Y195 HydrophobicContact CG1-CD2 3.99Å; V193-Y195 HydrophobicContact CG1-CE2 3.7Å
196	Y	22.4	Very low	23.4	Very low	193 Å²	193	156.3 Å²	156.3	76%	0.757	79%	0.79	S	S	*	*			trans	-79.3	152.1	-179.6	-87.9	-99.3	0	0	0	111.8
197	N	20.2	Very low	23.5	Very low	146 Å²	146	154 Å²	154	78%	0.781	79%	0.79	S	S	*	*			trans	-59.2	141.4	167.8	-70.5	-27.9	0	0	0	111.9
198	T	26	Very low	23.7	Very low	137 Å²	137	157.6 Å²	157.6	84%	0.84	79%	0.787	S	S	*	*			trans	-122.2	96.4	151	36	0	0	0	0	108.9
199	E	21.8	Very low	23.9	Very low	168 Å²	168	156.5 Å²	156.5	79%	0.785	78%	0.782	S	S	*	*			trans	-67.8	129.8	170.2	-64.6	-177.4	138.2	0	0	110	L201	E199-L201 PolarHBondContact O-N 3.39Å
200	P	29.4	Very low	23.6	Very low	127 Å²	127	152.9 Å²	152.9	83%	0.825	78%	0.777	S	S	*	*			trans	-74.1	114.8	166.3	29	-30.6	0	0	0	109.4
201	L	24.6	Very low	23.6	Very low	164 Å²	164	156.3 Å²	156.3	86%	0.859	78%	0.781	S	S	*	*			trans	-51.8	140.6	-179.7	-77.6	161.2	0	0	0	113	E199 M203	E199-L201 PolarHBondContact O-N 3.39Å; L201-M203 PolarHBondContact O-N 3.39Å; L201-M203 VanDerWaalsContact O-N 3.13Å
202	S	22.6	Very low	23.5	Very low	105 Å²	105	154.9 Å²	154.9	73%	0.734	78%	0.778	S	S	*	*			trans	-61.7	105.6	177.3	42.2	0	0	0	0	112.8	Q204	S202-Q204 PolarHBondContact O-N 2.89Å
203	M	25.9	Very low	23.5	Very low	159 Å²	159	158.5 Å²	158.5	78%	0.783	79%	0.789	S	S	*	*			trans	-67.7	100.8	161.5	-78.4	-80.8	-75.6	0	0	109.3	L201 F205	L201-M203 PolarHBondContact O-N 3.39Å; L201-M203 VanDerWaalsContact O-N 3.13Å; M203-F205 HydrophobicContact CE-CE2 4.23Å; M203-F205 PolarHBondContact O-N 2.77Å
204	Q	21.1	Very low	23	Very low	179 Å²	179	163.5 Å²	163.5	84%	0.836	79%	0.794	S	S	*	*			trans	-60.4	122.3	171.7	-67.9	172	-51	0	0	110.2	S202	S202-Q204 PolarHBondContact O-N 2.89Å
205	F	24.1	Very low	23.2	Very low	183 Å²	183	158 Å²	158	80%	0.803	79%	0.788	S	S	*	*			trans	-118.1	112.6	161.2	-93.6	-87	0	0	0	109.1	M203	M203-F205 HydrophobicContact CE-CE2 4.23Å; M203-F205 PolarHBondContact O-N 2.77Å
206	Q	21.5	Very low	22.9	Very low	174 Å²	174	154.6 Å²	154.6	81%	0.813	78%	0.779	S	S	*	*			trans	-73.7	145.3	175.2	-74.9	-170.3	-26.1	0	0	111.1
207	P	27.2	Very low	22.9	Very low	118 Å²	118	156.1 Å²	156.1	77%	0.766	78%	0.784	S	S	*	*			trans	-95.7	97.4	-175.8	35.4	-31.8	0	0	0	112.3
208	H	23.4	Very low	23.2	Very low	149 Å²	149	160.4 Å²	160.4	69%	0.69	79%	0.789	S	S	*	*			trans	-141.8	123.2	168.2	-84.7	-75.4	0	0	0	113.7
209	H	25.1	Very low	23.4	Very low	155 Å²	155	162.1 Å²	162.1	72%	0.718	79%	0.792	S	S	*	*			trans	59.6	98.7	150.1	-54.9	-53.6	0	0	0	121.7
210	S	18.7	Very low	23.5	Very low	91 Å²	91	162.1 Å²	162.1	64%	0.636	79%	0.794	S	S	*	*				33	140.1	113.9	63.9	0	0	0	0	122.7
211	Y	22.7	Very low	23.4	Very low	211 Å²	211	161.4 Å²	161.4	83%	0.827	79%	0.791	S	S	*	*			trans	99.7	111.2	155.9	-76	-76.4	0	0	0	120.6
212	T	20.6	Very low	24.1	Very low	122 Å²	122	158.3 Å²	158.3	75%	0.748	78%	0.781	S	S	*	*			trans	39	115.2	142.6	52.3	0	0	0	0	120.2
213	M	22.4	Very low	24.1	Very low	197 Å²	197	159.6 Å²	159.6	97%	0.97	79%	0.785	S	S	*	*			trans	-123.7	147	155.7	-85.1	-67	170.2	0	0	111.8
214	R	17.7	Very low	24	Very low	229 Å²	229	157 Å²	157	86%	0.864	78%	0.782	S	S	*	*			trans	-129.6	142.3	-164.4	-165.4	-176.2	-171.4	178.6	2.3	109.3
215	S	23.5	Very low	24.2	Very low	93 Å²	93	156.3 Å²	156.3	65%	0.65	78%	0.784	S	S	*	*			trans	60	128.8	155	51.8	0	0	0	0	122.5
216	E	21	Very low	24.3	Very low	146 Å²	146	152.9 Å²	152.9	68%	0.682	77%	0.773	S	S	*	*				98.7	128.6	129.2	-87.2	-174.2	-122.6	0	0	124.8
217	R	21.7	Very low	24.4	Very low	226 Å²	226	154 Å²	154	85%	0.853	77%	0.77	S	S	*	*			trans	86.7	141.3	144	-72	-177.6	-159.9	-133	-1.9	124.4
218	R	25.6	Very low	24.4	Very low	236 Å²	236	159.8 Å²	159.8	89%	0.891	78%	0.777	S	S	*	*			trans	-52.2	161.8	174	-64.5	172.3	178.5	167.8	-0.1	116.2
219	I	30	Very low	25.4	Very low	173 Å²	173	163.3 Å²	163.3	89%	0.887	79%	0.786	S	S	*	*				-157.3	161.7	126.8	-93.8	143	0	0	0	109
220	M	25.4	Very low	25.7	Very low	168 Å²	168	160.6 Å²	160.6	83%	0.828	78%	0.782	S	S	*	*			trans	-133.1	158.2	-173.1	-96.9	170	54.7	0	0	113.1
221	S	27.5	Very low	26	Very low	111 Å²	111	163.4 Å²	163.4	78%	0.776	79%	0.785	S	S	*	*			trans	75.4	171.9	155.5	85.4	0	0	0	0	118.3
222	P	39.3	Very low	26	Very low	100 Å²	100	160.4 Å²	160.4	65%	0.649	78%	0.778	S	S	*	*			cis	-137.2	-178.8	-23.4	28.8	-6.9	0	0	0	115.6
223	T	22.3	Very low	26.5	Very low	132 Å²	132	165.5 Å²	165.5	81%	0.81	79%	0.785	S	S	*	*			trans	64.5	153	151.2	38.7	0	0	0	0	120.2
224	S	24.1	Very low	26.6	Very low	104 Å²	104	162.1 Å²	162.1	73%	0.727	77%	0.771	S	S	*	*			cis	-161.4	160.3	-2.2	47.5	0	0	0	0	113.1
225	L	24.5	Very low	26.9	Very low	165 Å²	165	158.6 Å²	158.6	86%	0.864	76%	0.764	S	S	*	*			trans	-4.5	148	148.8	-56.7	160	0	0	0	118.5
226	D	26.1	Very low	27.3	Very low	110 Å²	110	165.8 Å²	165.8	59%	0.588	78%	0.779	S	S	*	*				-171.8	176.5	74.5	-159.9	16.6	0	0	0	115.5
227	R	22.8	Very low	27.7	Very low	198 Å²	198	169.1 Å²	169.1	75%	0.747	79%	0.787	S	S	*	*			trans	-61	158.8	-171.5	-51.5	137.3	179	128.4	-12.6	118.6
228	R	28.5	Very low	28	Very low	240 Å²	240	164 Å²	164	91%	0.906	79%	0.786	S	S	*	*				-176.8	135.2	112.5	-99.8	165.6	-102.5	-158.6	-6.4	114.9
229	Y	42.9	Very low	28.1	Very low	223 Å²	223	157.6 Å²	157.6	88%	0.875	78%	0.777	S	S	*	*			trans	-91.2	160.3	164.5	-109.4	-92.8	0	0	0	109.3
230	P	32.3	Very low	28.6	Very low	98 Å²	98	154.8 Å²	154.8	64%	0.636	77%	0.77	S	S	*	*				-150.7	158.2	86.7	41.9	-22	0	0	0	115.4
231	Q	24.6	Very low	28.8	Very low	149 Å²	149	154.4 Å²	154.4	70%	0.696	77%	0.767	S	S	*	*				51	144.3	105.4	-57.8	165.5	-82.1	0	0	115.9
232	E	22	Very low	28.8	Very low	149 Å²	149	153.1 Å²	153.1	70%	0.696	76%	0.762	S	S	*	*			cis	-166.7	154.3	3.1	-115.7	153.8	-153.9	0	0	108.5
233	Y	31.6	Very low	28.2	Very low	228 Å²	228	160 Å²	160	89%	0.894	78%	0.775	S	S	*	*			trans	157.6	161.8	143.6	-101	-79.2	0	0	0	114.3
234	D	26.1	Very low	28.6	Very low	126 Å²	126	164.2 Å²	164.2	67%	0.674	78%	0.776	S	S	*	*			trans	-108.8	162	-143.7	-94	-63.4	0	0	0	118.7
235	Q	22.9	Very low	28.9	Very low	155 Å²	155	166 Å²	166	72%	0.724	78%	0.783	S	S	*	*			trans	46.1	108.1	143.6	-64.8	170.6	10.6	0	0	120.9
236	Y	33	Very low	29	Very low	244 Å²	244	166.9 Å²	166.9	96%	0.957	78%	0.782	S	S	*	*				-149.8	142.2	120.3	-97.2	-74.7	0	0	0	109.9
237	Y	28.7	Very low	29.3	Very low	217 Å²	217	167.9 Å²	167.9	85%	0.851	79%	0.793	S	S	*	*			trans	-82.6	146.9	-172.2	-94.7	-109.6	0	0	0	113.8
238	S	28.3	Very low	29.6	Very low	119 Å²	119	167 Å²	167	83%	0.832	80%	0.799	S	S	*	*			trans	63.4	132.1	165.8	-58.9	0	0	0	0	116.5
239	S	26.5	Very low	29.4	Very low	100 Å²	100	166.3 Å²	166.3	70%	0.699	80%	0.796	S	S	*	*			cis	-137.1	146.4	24.8	-177.6	0	0	0	0	111.6	E241	S239-E241 VanDerWaalsContact C-N 3.31Å; S239-E241 PolarHBondContact O-N 3.24Å
240	P	41.2	Very low	28.8	Very low	115 Å²	115	166.9 Å²	166.9	75%	0.747	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	30.9	-158.9	35.7	-39.1	0	0	0	116.8
241	E	28.8	Very low	28.7	Very low	160 Å²	160	167.5 Å²	167.5	75%	0.748	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.2	8.5	178.4	-133.1	63.5	-124.6	0	0	114.2	S239	S239-E241 VanDerWaalsContact C-N 3.31Å; S239-E241 PolarHBondContact O-N 3.24Å
242	A	28.2	Very low	28.8	Very low	83 Å²	83	168 Å²	168	69%	0.686	81%	0.808	S	S	*	*	S	Bend	trans	-112.3	35.4	178	0	0	0	0	0	114
243	R	27.6	Very low	29.1	Very low	245 Å²	245	172.1 Å²	172.1	93%	0.925	82%	0.819	S	S	*	*			trans	-176.9	99.1	148.2	-108	172.3	-76.9	-175	-2.9	112.5
244	R	29.6	Very low	29	Very low	221 Å²	221	166.3 Å²	166.3	83%	0.834	81%	0.809	S	S	*	*			trans	-134.4	159.2	157.7	-125	175.8	-174.9	148.7	0.5	108.3
245	V	31.5	Very low	29.1	Very low	142 Å²	142	167.2 Å²	167.2	86%	0.861	82%	0.819	S	S	*	*			trans	70.8	60.7	-174.4	-158.1	0	0	0	0	114.1
246	Q	25.7	Very low	29.4	Very low	183 Å²	183	170.9 Å²	170.9	86%	0.855	83%	0.827	S	S	*	*			trans	-66.3	151.8	147.3	-164	172.5	15	0	0	109	M248	Q246-M248 PolarHBondContact O-N 2.98Å
247	T	31.6	Very low	29.3	Very low	131 Å²	131	165 Å²	165	80%	0.804	82%	0.818	S	S	*	*			trans	-62.1	114.9	-174.2	35.4	0	0	0	0	113.4	R249	T247-R249 PolarHBondContact O-N 3.31Å
248	M	29	Very low	29.1	Very low	178 Å²	178	165.9 Å²	165.9	88%	0.877	82%	0.82	S	S	*	*			trans	-64.1	128.6	162.2	-82.6	-69.4	-73	0	0	109.3	Q246	Q246-M248 PolarHBondContact O-N 2.98Å
249	R	25.2	Very low	29.1	Very low	226 Å²	226	168.1 Å²	168.1	85%	0.853	82%	0.822	S	S	*	*			trans	-71.2	138.8	-170.8	-68.9	178.7	175.6	168.7	-2	112.2	T247 T251	T247-R249 PolarHBondContact O-N 3.31Å; R249-T251 VanDerWaalsContact C-N 3.34Å; R249-T251 PolarHBondContact O-N 3.19Å
250	Y	29.8	Very low	29.2	Very low	236 Å²	236	174 Å²	174	93%	0.925	83%	0.83	S	S	*	*	S	Bend	trans	-69.4	85	162.9	-85.5	-95.7	0	0	0	111
251	T	29.8	Very low	28.5	Very low	111 Å²	111	174.7 Å²	174.7	68%	0.681	82%	0.823	S	S	*	*			trans	-167.3	107.6	154.6	42.1	0	0	0	0	107.7	R249	R249-T251 VanDerWaalsContact C-N 3.34Å; R249-T251 PolarHBondContact O-N 3.19Å
252	D	26.9	Very low	28.3	Very low	159 Å²	159	172 Å²	172	85%	0.85	82%	0.82	S	S	*	*			trans	169.7	11.8	152.9	-88.1	-12.8	0	0	0	114.2	P254	D252-P254 WeakPolarHBondContact O-CD 3.3Å
253	Y	28.5	Very low	28.3	Very low	236 Å²	236	172.5 Å²	172.5	93%	0.925	81%	0.814	S	S	*	*	S	Bend	trans	-95.2	107.8	160.9	-87.3	-79.1	0	0	0	111	T255	Y253-T255 PolarHBondContact O-N 2.94Å
254	P	29.7	Very low	28.3	Very low	106 Å²	106	170.2 Å²	170.2	69%	0.688	81%	0.807	S	S	*	*			trans	-73	128.2	-178	28.2	-34	0	0	0	112	D252 R256	D252-P254 WeakPolarHBondContact O-CD 3.3Å; P254-R256 PolarHBondContact O-N 3.3Å
255	T	28.2	Very low	28.1	Very low	144 Å²	144	167.6 Å²	167.6	88%	0.883	81%	0.805	S	S	*	*			trans	16.9	75.1	145.9	34.1	0	0	0	0	117.5	Y253	Y253-T255 PolarHBondContact O-N 2.94Å
256	R	29.4	Very low	27.8	Very low	232 Å²	232	163.7 Å²	163.7	88%	0.875	78%	0.784	S	S	*	*			trans	-83.9	137.6	149.7	-112	-175.9	-177.2	-139.6	-0.1	109.3	P254 R258	P254-R256 PolarHBondContact O-N 3.3Å; R256-R258 PolarHBondContact O-N 3.38Å
257	P	30.2	Very low	27.8	Very low	120 Å²	120	158.2 Å²	158.2	78%	0.779	77%	0.77	S	S	*	*			trans	-59	137	-177.3	-23	33.3	0	0	0	111.3	L259	P257-L259 PolarHBondContact O-N 3.44Å
258	R	25.5	Very low	27.6	Very low	237 Å²	237	154.7 Å²	154.7	89%	0.894	75%	0.748	S	S	*	*			trans	-64.5	98.6	169.6	-72.8	179.9	177.1	152.4	-0.9	108.5	R256 Y260	R256-R258 PolarHBondContact O-N 3.38Å; R258-Y260 PolarHBondContact O-N 2.91Å
259	L	29	Very low	27.4	Very low	165 Å²	165	151.8 Å²	151.8	86%	0.864	74%	0.735	S	S	*	*			trans	-61.8	117.9	161.5	-144.3	78.3	0	0	0	106.2	P257 Q261	P257-L259 PolarHBondContact O-N 3.44Å; L259-Q261 PolarHBondContact O-N 2.89Å; L259-Q261 VanDerWaalsContact O-N 3.08Å
260	Y	27.1	Very low	27.6	Very low	224 Å²	224	144.3 Å²	144.3	88%	0.878	72%	0.717	S	S	*	*			trans	-59.6	115.5	-179.6	-104.8	-104.6	0	0	0	108.8	R258	R258-Y260 PolarHBondContact O-N 2.91Å
261	Q	27.7	Very low	27.6	Very low	129 Å²	129	141.3 Å²	141.3	60%	0.603	71%	0.71	S	S	*	*			trans	-64.6	131.7	170	-71.6	-177.6	-56.8	0	0	108.5	L259 T263	L259-Q261 PolarHBondContact O-N 2.89Å; L259-Q261 VanDerWaalsContact O-N 3.08Å; Q261-T263 PolarHBondContact O-N 3.44Å
262	P	25	Very low	27.5	Very low	103 Å²	103	143.6 Å²	143.6	67%	0.669	72%	0.718	S	S	*	*			trans	-65.3	104.5	168.6	-18.1	31.7	0	0	0	109.2	Y264	P262-Y264 HydrophobicContact CB-CE2 4.38Å; P262-Y264 PolarHBondContact O-N 3.38Å
263	T	26.3	Very low	27.9	Very low	94 Å²	94	143.7 Å²	143.7	58%	0.577	71%	0.713	S	S	*	*			trans	-75	103.1	172.8	-46.2	0	0	0	0	108.5	Q261 Q265	Q261-T263 PolarHBondContact O-N 3.44Å; T263-Q265 PolarHBondContact O-N 3.36Å
264	Y	28.7	Very low	27.9	Very low	198 Å²	198	142.5 Å²	142.5	78%	0.776	71%	0.708	S	S	*	*			trans	-66.5	122.6	170.3	-71	-87.2	0	0	0	109.4	P262	P262-Y264 HydrophobicContact CB-CE2 4.38Å; P262-Y264 PolarHBondContact O-N 3.38Å
265	Q	25.9	Very low	27.9	Very low	166 Å²	166	142.9 Å²	142.9	78%	0.776	70%	0.704	S	S	*	*			trans	-98.1	103.2	-179.7	-63	178.9	9.4	0	0	109.1	T263	T263-Q265 PolarHBondContact O-N 3.36Å
266	S	25.7	Very low	27.9	Very low	60 Å²	60	143.3 Å²	143.3	42%	0.42	70%	0.696	S	S	.	*			trans	-89.4	128	163.6	42.4	0	0	0	0	109.1	Y295	S266-Y295 WeakPolarHBondContact OG-CD2 3Å
267	A	24.8	Very low	28	Very low	68 Å²	68	140.5 Å²	140.5	56%	0.562	69%	0.693	S	S	*	*			trans	-98.1	108.8	178.1	0	0	0	0	0	110	I290	A267-I290 HydrophobicContact CB-CG2 3.93Å
268	T	27.3	Very low	28	Very low	57 Å²	57	144.3 Å²	144.3	35%	0.35	69%	0.693	S	S	.	*	B	Isolated β-bridge	trans	-87.8	128.7	173.5	36.8	0	0	0	0	110.3	E293	T268-E293 PolarHBondContact OG1-OE2 3.12Å
269	L	25.7	Very low	28.3	Very low	116 Å²	116	140.4 Å²	140.4	61%	0.607	69%	0.69	S	S	*	*			trans	-94.8	94.4	-176.8	-75.8	165.9	0	0	0	110.9	F271 P288	L269-F271 HydrophobicContact CB-CE2 4.29Å; L269-P288 HydrophobicContact CD2-CB 4.34Å
270	S	27.5	Very low	28.5	Very low	69 Å²	69	140.8 Å²	140.8	48%	0.483	69%	0.693	S	S	.	*			trans	-88.6	127.1	173	60.9	0	0	0	0	112
271	F	30.1	Very low	28.7	Very low	173 Å²	173	133.3 Å²	133.3	76%	0.759	68%	0.684	S	S	*	*			trans	-106.2	118.5	172.8	-66.4	-96.9	0	0	0	109.8	L269	L269-F271 HydrophobicContact CB-CE2 4.29Å
272	N	28.9	Very low	28.9	Very low	159 Å²	159	133.6 Å²	133.6	85%	0.85	70%	0.695	S	S	*	*			trans	-83.8	126.4	169.1	-76.5	0.9	0	0	0	109.3	Y274	N272-Y274 PolarHBondContact O-N 3.42Å
273	E	34.4	Very low	29.1	Very low	162 Å²	162	136.5 Å²	136.5	76%	0.757	70%	0.704	S	S	*	*			trans	-93.4	9.2	-161.5	-152.3	159.4	-138.8	0	0	114.7
274	Y	29.8	Very low	29.4	Very low	211 Å²	211	140.7 Å²	140.7	83%	0.827	71%	0.714	S	S	*	*			trans	-121	90.2	-175.2	-70.4	-85.6	0	0	0	112.4	N272	N272-Y274 PolarHBondContact O-N 3.42Å
275	D	29.3	Very low	29.6	Very low	113 Å²	113	137.3 Å²	137.3	60%	0.604	72%	0.716	S	S	*	*			trans	-160.3	62.3	163	-133.1	0.1	0	0	0	110.8	H277 R286	D275-H277 PolarHBondContact O-N 3.39Å; D275-H277 VanDerWaalsContact O-N 3.1Å; D275-R286 IonicContact OD2-NH2 3.64Å; D275-R286 PolarHBondContact OD2-NH2 3.2Å
276	H	28.4	Very low	29.7	Very low	153 Å²	153	139.3 Å²	139.3	71%	0.708	72%	0.717	S	S	*	*			trans	-82.8	69.5	-176.8	-84.8	-68.1	0	0	0	113.2
277	H	31.7	Very low	30	Very low	173 Å²	173	147.7 Å²	147.7	80%	0.801	74%	0.739	S	S	*	*			trans	-126.3	78.3	169.4	-70.3	-42	0	0	0	112.3	D275 N279	D275-H277 PolarHBondContact O-N 3.39Å; D275-H277 VanDerWaalsContact O-N 3.1Å; H277-N279 PolarHBondContact O-N 3.41Å
278	Y	29.3	Very low	30.1	Very low	200 Å²	200	148.9 Å²	148.9	78%	0.784	74%	0.741	S	S	*	*			trans	-75.9	95.2	167.5	-82.7	-92.5	0	0	0	110.3
279	N	32.3	Very low	30.2	Very low	155 Å²	155	155.4 Å²	155.4	83%	0.829	77%	0.765	S	S	*	*			trans	-103	140.5	156.9	-89.1	-26.2	0	0	0	109.5	H277	H277-N279 PolarHBondContact O-N 3.41Å
280	N	33	Very low	30.5	Very low	173 Å²	173	155 Å²	155	93%	0.925	76%	0.762	S	S	*	*	S	Bend	trans	-54.6	135.3	-169	-61.7	-37.9	0	0	0	114.1
281	G	31.1	Very low	30.7	Very low	68 Å²	68	156.3 Å²	156.3	70%	0.701	76%	0.763	S	S	*	*	S	Bend	trans	127.2	105	161.6	0	0	0	0	0	115.8
282	T	31	Very low	30.7	Very low	134 Å²	134	152.6 Å²	152.6	82%	0.822	75%	0.754	S	S	*	*			trans	53	93.5	155.9	-45.9	0	0	0	0	117.1	K284	T282-K284 PolarHBondContact O-N 3.49Å
283	L	30.2	Very low	30.7	Very low	165 Å²	165	149.7 Å²	149.7	86%	0.864	74%	0.735	S	S	*	*			trans	-59.4	100.2	170.1	-68.4	169.2	0	0	0	111.6
284	K	33.3	Very low	30.4	Very low	182 Å²	182	152.6 Å²	152.6	79%	0.791	74%	0.74	S	S	*	*			trans	-71.6	137.4	162.2	-71.9	-174.3	178	179.2	0	109.1	T282 R286	T282-K284 PolarHBondContact O-N 3.49Å; K284-R286 PolarHBondContact O-N 3.39Å
285	P	32.5	Very low	30.2	Very low	127 Å²	127	149.3 Å²	149.3	83%	0.825	73%	0.727	S	S	*	*			trans	-62	112	-175.2	23.1	-33.1	0	0	0	111.4	R287	P285-R287 PolarHBondContact O-N 3.37Å
286	R	28.3	Very low	30.1	Very low	208 Å²	208	153 Å²	153	79%	0.785	74%	0.737	S	S	*	*			trans	-74.7	105.5	-177.9	-155.9	173.3	-172.5	171.7	0.9	108.3	D275 K284	D275-R286 IonicContact OD2-NH2 3.64Å; D275-R286 PolarHBondContact OD2-NH2 3.2Å; K284-R286 PolarHBondContact O-N 3.39Å
287	R	30.9	Very low	30.2	Very low	235 Å²	235	151.1 Å²	151.1	89%	0.887	74%	0.74	S	S	*	*			trans	-64.2	125.6	177.5	-71.4	-176.1	177.7	172.1	-0.7	109.8	P285	P285-R287 PolarHBondContact O-N 3.37Å
288	P	28.4	Very low	30.4	Very low	93 Å²	93	147.9 Å²	147.9	60%	0.604	74%	0.737	S	S	*	*			trans	-66.5	137.7	178.8	26.9	-33.6	0	0	0	110.7	L269 I290	L269-P288 HydrophobicContact CD2-CB 4.34Å; P288-I290 PolarHBondContact O-N 3.12Å
289	K	28.9	Very low	30.3	Very low	194 Å²	194	145.6 Å²	145.6	84%	0.843	73%	0.734	S	S	*	*			trans	-80.1	109	168.7	-77.5	-175.1	176.3	179.9	0	108.2	I291	K289-I291 PolarHBondContact O-N 3.09Å
290	I	30.8	Very low	30.2	Very low	108 Å²	108	143.4 Å²	143.4	55%	0.554	73%	0.726	S	S	*	*			trans	-71.5	113.7	174.3	-58.6	167.8	0	0	0	108.1	A267 P288 T292	A267-I290 HydrophobicContact CB-CG2 3.93Å; P288-I290 PolarHBondContact O-N 3.12Å; I290-T292 HydrophobicContact CG2-CG2 4.32Å
291	I	32.4	Very low	30.1	Very low	96 Å²	96	141.2 Å²	141.2	49%	0.492	71%	0.705	S	S	.	*	B	Isolated β-bridge	trans	-83.9	123.3	166.9	-59.1	-175.6	0	0	0	106.8	K289 E293	K289-I291 PolarHBondContact O-N 3.09Å; I291-E293 PolarHBondContact O-N 3.32Å
292	T	30.3	Very low	29.9	Very low	95 Å²	95	145.3 Å²	145.3	58%	0.583	71%	0.711	S	S	*	*			trans	-94.4	89.8	-175.6	25.8	0	0	0	0	110.5	I290 R294	I290-T292 HydrophobicContact CG2-CG2 4.32Å; T292-R294 PolarHBondContact O-N 2.83Å
293	E	28.2	Very low	30	Very low	98 Å²	98	147.5 Å²	147.5	46%	0.458	70%	0.704	S	S	.	*			trans	-72.7	118.6	173	-67.9	-176.5	142.1	0	0	110.3	T268 I291 Y295	T268-E293 PolarHBondContact OG1-OE2 3.12Å; I291-E293 PolarHBondContact O-N 3.32Å; E293-Y295 HydrophobicContact CB-CE2 4.11Å; E293-Y295 PolarHBondContact O-N 3.29Å
294	R	27.5	Very low	30	Very low	224 Å²	224	144 Å²	144	85%	0.845	69%	0.691	S	S	*	*			trans	-88.7	87.2	-177.2	-68.9	-176.7	179	-179.6	0.3	110.8	T292 K296	T292-R294 PolarHBondContact O-N 2.83Å; R294-K296 PolarHBondContact O-N 3.1Å
295	Y	26	Very low	30.6	Very low	142 Å²	142	139.7 Å²	139.7	56%	0.557	68%	0.682	S	S	*	*			trans	-63.4	119	166.8	-70.5	-85.4	0	0	0	110	S266 E293	S266-Y295 WeakPolarHBondContact OG-CD2 3Å; E293-Y295 HydrophobicContact CB-CE2 4.11Å; E293-Y295 PolarHBondContact O-N 3.29Å
296	K	27.2	Very low	30.8	Very low	190 Å²	190	140.4 Å²	140.4	83%	0.826	67%	0.672	S	S	*	*			trans	-106.2	99	178.6	-162.7	-176.8	-173.1	-171.9	0	107.5	R294 S298	R294-K296 PolarHBondContact O-N 3.1Å; K296-S298 PolarHBondContact O-N 2.84Å
297	C	30.3	Very low	31.4	Very low	113 Å²	113	138.3 Å²	138.3	76%	0.764	67%	0.669	S	S	*	*			trans	-59.6	103.8	174	-61.7	0	0	0	0	109.2	E299	C297-E299 PolarHBondContact O-N 2.92Å
298	S	35.9	Very low	31.7	Very low	105 Å²	105	132.7 Å²	132.7	73%	0.734	66%	0.663	S	S	*	*			trans	-70.9	122.2	170.8	47.8	0	0	0	0	108.8	K296	K296-S298 PolarHBondContact O-N 2.84Å
299	E	28.4	Very low	32.2	Very low	153 Å²	153	138 Å²	138	72%	0.715	68%	0.677	S	S	*	*			trans	77.5	107	168.3	-51.5	-176	172.3	0	0	117	C297 Y301	C297-E299 PolarHBondContact O-N 2.92Å; E299-Y301 HydrophobicContact CB-CE2 4.49Å
300	V	28.9	Very low	32.4	Very low	109 Å²	109	136.9 Å²	136.9	66%	0.661	68%	0.679	S	S	*	*			trans	-90.2	107.4	162.6	177.9	0	0	0	0	107.9	N302	V300-N302 PolarHBondContact O-N 3.28Å
301	Y	31.7	Very low	32.6	Very low	127 Å²	127	141.7 Å²	141.7	50%	0.498	70%	0.696	S	S	.	*			trans	-68.8	113.8	177.5	-96.5	-106.5	0	0	0	111.8	E299 W303	E299-Y301 HydrophobicContact CB-CE2 4.49Å; Y301-W303 HydrophobicContact CD1-CZ2 4.31Å; Y301-W303 PolarHBondContact O-N 3.01Å
302	N	27.2	Very low	32.8	Very low	153 Å²	153	148.8 Å²	148.8	82%	0.818	72%	0.716	S	S	*	*			trans	-87.5	100.4	167.7	-76.5	-48.2	0	0	0	109.8	V300	V300-N302 PolarHBondContact O-N 3.28Å
303	W	32.2	Very low	32.8	Very low	180 Å²	180	155.5 Å²	155.5	68%	0.682	73%	0.731	S	S	*	*			trans	-71.5	139.6	179.7	-70.7	91.5	0	0	0	112.5	Y301	Y301-W303 HydrophobicContact CD1-CZ2 4.31Å; Y301-W303 PolarHBondContact O-N 3.01Å
304	P	31.3	Very low	33	Very low	91 Å²	91	160.4 Å²	160.4	59%	0.591	75%	0.751	S	S	*	*			trans	-64.8	133.5	175.5	25.8	-33.4	0	0	0	110.8	K306	P304-K306 PolarHBondContact O-N 3.31Å
305	P	44.5	Very low	33.3	Very low	92 Å²	92	155.9 Å²	155.9	60%	0.597	75%	0.748	S	S	*	*	S	Bend	trans	-73.3	2.1	-163.4	26.7	-36	0	0	0	116.3
306	K	38.3	Very low	33.4	Very low	143 Å²	143	156.1 Å²	156.1	62%	0.622	76%	0.759	S	S	*	*			trans	-142.6	108.7	-179.3	-67.8	-176.9	-180	174.3	0	111	S39 P304	S39-K306 PolarHBondContact OG-NZ 3.34Å; P304-K306 PolarHBondContact O-N 3.31Å
307	F	40.6	Very low	33.8	Very low	163 Å²	163	152.2 Å²	152.2	72%	0.715	75%	0.753	S	S	*	*			trans	-69.7	144.7	171.4	-77.7	-90	0	0	0	111.7	K309	F307-K309 PolarHBondContact O-N 2.89Å
308	P	37.1	Very low	33.9	Very low	118 Å²	118	153 Å²	153	77%	0.766	76%	0.757	S	S	*	*			trans	-66.2	125.9	175.6	25.7	-32.1	0	0	0	111.2	L310	P308-L310 PolarHBondContact O-N 3.14Å
309	K	37.9	Very low	33.6	Very low	204 Å²	204	157.2 Å²	157.2	89%	0.887	76%	0.762	S	S	*	*			trans	-67	114	-179.3	-66.6	-176.9	178.9	-178.3	0	110.9	F307 K311	F307-K309 PolarHBondContact O-N 2.89Å; K309-K311 PolarHBondContact O-N 3.38Å
310	L	34.4	Very low	33.6	Very low	171 Å²	171	158.1 Å²	158.1	90%	0.895	77%	0.766	S	S	*	*			trans	-60.9	118.9	171.7	-69.5	166.6	0	0	0	110.3	P308 R312	P308-L310 PolarHBondContact O-N 3.14Å; L310-R312 PolarHBondContact O-N 3.42Å
311	K	35.1	Very low	33.6	Very low	208 Å²	208	160.9 Å²	160.9	90%	0.904	78%	0.776	S	S	*	*			trans	-69.7	99.7	174.4	-77.2	-175.9	176.5	178	0	109.8	K309 R313	K309-K311 PolarHBondContact O-N 3.38Å; K311-R313 PolarHBondContact O-N 2.98Å
312	R	35.6	Very low	33.4	Very low	245 Å²	245	162.5 Å²	162.5	93%	0.925	79%	0.787	S	S	*	*			trans	-53.7	122.1	165.3	-80.7	-177.2	167	175.9	-5.7	109.1	L310 K314	L310-R312 PolarHBondContact O-N 3.42Å; R312-K314 PolarHBondContact O-N 3.33Å
313	R	30.2	Very low	33.2	Very low	236 Å²	236	161.7 Å²	161.7	89%	0.891	79%	0.788	S	S	*	*			trans	-65.7	123	168.3	-82.5	-177.8	163.9	-173.9	-5.2	107.9	K311 T315	K311-R313 PolarHBondContact O-N 2.98Å; R313-T315 PolarHBondContact O-N 3.15Å
314	K	33.4	Very low	32.9	Very low	201 Å²	201	157.4 Å²	157.4	87%	0.874	79%	0.791	S	S	*	*			trans	-71.1	105.2	166	-73.4	-170.5	174.8	-171.3	0	108.1	R312	R312-K314 PolarHBondContact O-N 3.33Å
315	T	32.8	Very low	32.5	Very low	129 Å²	129	161.2 Å²	161.2	79%	0.791	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-76.1	127.2	162	40.1	0	0	0	0	108	R313	R313-T315 PolarHBondContact O-N 3.15Å
316	N	29.3	Very low	31.5	Very low	148 Å²	148	163.3 Å²	163.3	79%	0.791	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-77	135.6	170.8	-71.2	-35.3	0	0	0	108.2
317	P	34	Very low	30.9	Very low	108 Å²	108	164.6 Å²	164.6	70%	0.701	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-64.4	150.6	178.7	26.9	-34.1	0	0	0	111.3	K319	P317-K319 PolarHBondContact O-N 3.46Å
318	P	32.3	Very low	29.9	Very low	128 Å²	128	163.7 Å²	163.7	83%	0.831	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-64.8	134.9	-177.3	26.8	-33.9	0	0	0	111.1	Q320	P318-Q320 PolarHBondContact O-N 3.46Å
319	K	31.6	Very low	29.3	Very low	194 Å²	194	163.9 Å²	163.9	84%	0.843	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-68.8	127	176.9	-68.7	-178.7	176.7	-178.3	0	109.7	P317 I321	P317-K319 PolarHBondContact O-N 3.46Å; K319-I321 PolarHBondContact O-N 3.4Å
320	Q	27.2	Very low	28.6	Very low	173 Å²	173	161 Å²	161	81%	0.808	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-58.3	122.1	167.2	-73.2	172	-26.8	0	0	109.4	P318 H322	P318-Q320 PolarHBondContact O-N 3.46Å; Q320-H322 PolarHBondContact O-N 2.8Å
321	I	29	Very low	28.1	Very low	167 Å²	167	162 Å²	162	86%	0.856	81%	0.805	S	S	*	*			trans	-86.9	101.2	174.2	-60.2	175.5	0	0	0	106.8	K319	K319-I321 PolarHBondContact O-N 3.4Å
322	H	26.6	Very low	27.4	Very low	161 Å²	161	160.5 Å²	160.5	75%	0.745	80%	0.801	S	S	*	*			trans	-70.5	139.6	166.2	-86.3	-74	0	0	0	110.3	Q320	Q320-H322 PolarHBondContact O-N 2.8Å
323	T	24.4	Very low	26.8	Very low	135 Å²	135	157.6 Å²	157.6	83%	0.828	80%	0.798	S	S	*	*			trans	-62.7	130.2	176.4	40.3	0	0	0	0	112.7
324	A	24.8	Very low	26.5	Very low	91 Å²	91	153.7 Å²	153.7	75%	0.752	79%	0.794	S	S	*	*			trans	-135.8	132.5	150.9	0	0	0	0	0	107.8	D326	A324-D326 PolarHBondContact O-N 3.13Å
325	Q	22.6	Very low	25.9	Very low	171 Å²	171	153.7 Å²	153.7	80%	0.799	79%	0.794	S	S	*	*			trans	-58.7	124.3	164.2	-86.3	94.2	-29.3	0	0	109
326	D	24.4	Very low	25.6	Very low	136 Å²	136	153.4 Å²	153.4	73%	0.727	79%	0.792	S	S	*	*				179.1	141.7	111.2	-89.2	-25.2	0	0	0	112.8	A324	A324-D326 PolarHBondContact O-N 3.13Å
327	H	24.9	Very low	25.1	Very low	170 Å²	170	151.9 Å²	151.9	79%	0.787	79%	0.793	S	S	*	*			trans	55.9	114.5	167.5	-59.5	-58.8	0	0	0	121.1
328	I	21.4	Very low	24.7	Very low	143 Å²	143	151.2 Å²	151.2	73%	0.733	80%	0.797	S	S	*	*			trans	-64.1	132.8	162	-64	167.5	0	0	0	110.7	I330	I328-I330 HydrophobicContact CG2-CB 4.36Å; I328-I330 HydrophobicContact CG2-CD1 3.81Å; I328-I330 HydrophobicContact CG2-CG1 3.73Å
329	V	22.6	Very low	24	Very low	123 Å²	123	153 Å²	153	75%	0.745	79%	0.794	S	S	*	*			trans	-130.5	84.4	154.3	-175.3	0	0	0	0	109.3	K331	V329-K331 HydrophobicContact CG1-CG 4.49Å; V329-K331 PolarHBondContact O-N 3.38Å
330	I	23.9	Very low	23.6	Very low	144 Å²	144	151 Å²	151	74%	0.738	79%	0.793	S	S	*	*			trans	-72.7	109.4	166.6	-68.9	159.2	0	0	0	107.2	I328 Q332	I328-I330 HydrophobicContact CG2-CB 4.36Å; I328-I330 HydrophobicContact CG2-CD1 3.81Å; I328-I330 HydrophobicContact CG2-CG1 3.73Å; I330-Q332 VanDerWaalsContact C-N 3.33Å; I330-Q332 PolarHBondContact O-N 3.2Å
331	K	23.3	Very low	23.3	Very low	192 Å²	192	148.3 Å²	148.3	84%	0.835	78%	0.784	S	S	*	*			trans	-72	90.4	170.7	-74.5	-172.4	176.9	-178.4	0	109.6	V329 Q333	V329-K331 HydrophobicContact CG1-CG 4.49Å; V329-K331 PolarHBondContact O-N 3.38Å; K331-Q333 PolarHBondContact O-N 2.66Å
332	Q	21.2	Very low	23.3	Very low	175 Å²	175	149.7 Å²	149.7	82%	0.818	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-61.3	129.9	168.4	-156.5	172.4	22.4	0	0	108.9	I330 L334	I330-Q332 VanDerWaalsContact C-N 3.33Å; I330-Q332 PolarHBondContact O-N 3.2Å; Q332-L334 PolarHBondContact O-N 2.94Å
333	Q	23.8	Very low	22.9	Very low	185 Å²	185	146.2 Å²	146.2	86%	0.864	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-66.6	127.6	178.1	-69.6	179.2	-9	0	0	109.5	K331 K335	K331-Q333 PolarHBondContact O-N 2.66Å; Q333-K335 PolarHBondContact O-N 3.38Å
334	L	23	Very low	22.8	Very low	153 Å²	153	145.1 Å²	145.1	80%	0.801	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-60.1	120.4	175.6	-96.5	76.9	0	0	0	110	Q332 T336	Q332-L334 PolarHBondContact O-N 2.94Å; L334-T336 HydrophobicContact CB-CG2 4.41Å; L334-T336 PolarHBondContact O-N 2.93Å
335	K	21.6	Very low	23.7	Very low	201 Å²	201	146.2 Å²	146.2	87%	0.874	78%	0.777	S	S	*	*			trans	-70.4	100.2	152.6	-79.2	-177.1	174.2	-179.5	0	107.7	Q333 S337	Q333-K335 PolarHBondContact O-N 3.38Å; K335-S337 VanDerWaalsContact C-N 3.34Å; K335-S337 PolarHBondContact O-N 3.48Å; K335-S337 VanDerWaalsContact O-N 3.11Å
336	T	25.6	Very low	23.7	Very low	123 Å²	123	143.5 Å²	143.5	76%	0.755	77%	0.772	S	S	*	*			trans	-78.6	86.3	166.6	49.5	0	0	0	0	109.6	L334	L334-T336 HydrophobicContact CB-CG2 4.41Å; L334-T336 PolarHBondContact O-N 2.93Å
337	S	19.9	Very low	23.6	Very low	116 Å²	116	145.6 Å²	145.6	81%	0.811	78%	0.778	S	S	*	*			trans	-79.3	109.4	156.2	50.8	0	0	0	0	108.4	K335	K335-S337 VanDerWaalsContact C-N 3.34Å; K335-S337 PolarHBondContact O-N 3.48Å; K335-S337 VanDerWaalsContact O-N 3.11Å
338	A	23.9	Very low	23.3	Very low	95 Å²	95	145.5 Å²	145.5	79%	0.785	78%	0.777	S	S	*	*			trans	-138.6	110.2	164.9	0	0	0	0	0	107.6
339	E	18.7	Very low	23.5	Very low	165 Å²	165	145.6 Å²	145.6	77%	0.771	79%	0.785	S	S	*	*			trans	-69	150.4	173.5	-61.5	165.4	117.6	0	0	110.4
340	N	23.5	Very low	23.4	Very low	153 Å²	153	147.6 Å²	147.6	82%	0.818	79%	0.786	S	S	*	*			trans	-176.7	94.4	140.5	-90	-29.3	0	0	0	106.3
341	N	20.4	Very low	23.2	Very low	115 Å²	115	145.5 Å²	145.5	62%	0.615	78%	0.784	S	S	*	*				47.9	73.5	79.6	-70.1	-29.4	0	0	0	113.6
342	H	27.8	Very low	23.2	Very low	196 Å²	196	144 Å²	144	91%	0.907	79%	0.785	S	S	*	*			trans	-116.2	102.5	137.7	-86.5	-62.8	0	0	0	109
343	S	19.6	Very low	23.3	Very low	89 Å²	89	141.5 Å²	141.5	62%	0.622	78%	0.782	S	S	*	*			trans	-101.8	155.5	173.8	-58.7	0	0	0	0	110.3
344	S	22.5	Very low	23.3	Very low	111 Å²	111	141.5 Å²	141.5	78%	0.776	78%	0.782	S	S	*	*			trans	86	156.2	156.9	-42.2	0	0	0	0	117.6
345	P	42.4	Very low	23.3	Very low	114 Å²	114	143.4 Å²	143.4	74%	0.74	79%	0.787	S	S	*	*				-138.2	-151.7	-52.9	37.1	-18.6	0	0	0	111.2
346	V	22.7	Very low	23.4	Very low	115 Å²	115	141.7 Å²	141.7	70%	0.697	79%	0.786	S	S	*	*			trans	82.3	126.6	168	-166.8	0	0	0	0	113.9
347	Q	22.7	Very low	23.2	Very low	179 Å²	179	144.2 Å²	144.2	84%	0.836	79%	0.789	S	S	*	*			cis	-147.7	160.2	6.2	-135.1	150.8	22.7	0	0	112.1
348	H	19.7	Very low	23.2	Very low	169 Å²	169	144.7 Å²	144.7	78%	0.782	79%	0.791	S	S	*	*			trans	-71.6	144.8	163.3	-86.7	-103.1	0	0	0	111.6
349	T	24	Very low	23.1	Very low	145 Å²	145	147.7 Å²	147.7	89%	0.89	79%	0.792	S	S	*	*			trans	-139	125.1	143.4	-24.5	0	0	0	0	109.1
350	Q	21	Very low	23.3	Very low	165 Å²	165	149.4 Å²	149.4	77%	0.771	80%	0.797	S	S	*	*			trans	-87.4	153.2	178.1	-80.5	170.6	-71.8	0	0	111.7
351	S	20.3	Very low	23.2	Very low	99 Å²	99	147.9 Å²	147.9	69%	0.692	79%	0.792	S	S	*	*			trans	44.9	117.6	150.3	59.3	0	0	0	0	119.4
352	N	23.8	Very low	23.2	Very low	161 Å²	161	148.4 Å²	148.4	86%	0.861	80%	0.796	S	S	*	*				-157.8	155.5	101.6	-102.1	-18.6	0	0	0	114
353	T	22.6	Very low	23	Very low	122 Å²	122	145.4 Å²	145.4	75%	0.748	79%	0.786	S	S	*	*			trans	-63.3	143.3	177.8	-10.1	0	0	0	0	112.7
354	E	24	Very low	23	Very low	186 Å²	186	148.5 Å²	148.5	87%	0.869	79%	0.791	S	S	*	*				-167.6	122.4	129.4	-109.1	167.4	-148.2	0	0	111.1	I356	E354-I356 PolarHBondContact O-N 2.95Å
355	Q	21.6	Very low	23.1	Very low	193 Å²	193	153.8 Å²	153.8	90%	0.902	80%	0.795	S	S	*	*			trans	-81.4	107.9	171.1	-76.6	178.5	-25.1	0	0	108.8	Q357	Q355-Q357 PolarHBondContact O-N 3.48Å
356	I	25.1	Very low	22	Very low	165 Å²	165	157 Å²	157	85%	0.846	80%	0.8	S	S	*	*			trans	-76.5	127.5	172.4	-62.5	-179.2	0	0	0	109.7	E354	E354-I356 PolarHBondContact O-N 2.95Å
357	Q	21	Very low	22	Very low	176 Å²	176	156.8 Å²	156.8	82%	0.822	80%	0.804	S	S	*	*			trans	-83.8	136.5	-161.5	-154.2	172.6	23.6	0	0	112.2	Q355 I359	Q355-Q357 PolarHBondContact O-N 3.48Å; Q357-I359 PolarHBondContact O-N 2.97Å
358	C	20.8	Very low	22	Very low	126 Å²	126	154.3 Å²	154.3	85%	0.851	80%	0.803	S	S	*	*			trans	-67.7	115.6	172.4	-68.6	0	0	0	0	111	K360	C358-K360 PolarHBondContact O-N 3.41Å
359	I	21.4	Very low	22.1	Very low	158 Å²	158	153.9 Å²	153.9	81%	0.81	81%	0.807	S	S	*	*			trans	-72.3	113.8	178.1	-61.2	172.6	0	0	0	109.8	Q357	Q357-I359 PolarHBondContact O-N 2.97Å
360	K	21.5	Very low	22.1	Very low	201 Å²	201	150.7 Å²	150.7	87%	0.874	80%	0.803	S	S	*	*			trans	-91.2	103.8	174.7	-148.4	176.7	-171.3	-179.5	0	108.8	C358 N362	C358-K360 PolarHBondContact O-N 3.41Å; K360-N362 PolarHBondContact O-N 3.23Å
361	V	21.4	Very low	22.2	Very low	120 Å²	120	152.2 Å²	152.2	73%	0.727	81%	0.807	S	S	*	*			trans	-70.1	114.5	179.1	-178.3	0	0	0	0	109.4
362	N	21.2	Very low	22.3	Very low	127 Å²	127	159 Å²	159	68%	0.679	82%	0.818	S	S	*	*			trans	-101.4	97.9	-178.4	-168.8	18.3	0	0	0	110.2	K360 Q364	K360-N362 PolarHBondContact O-N 3.23Å; N362-Q364 PolarHBondContact O-N 3.43Å
363	N	22.8	Very low	22	Very low	133 Å²	133	160.3 Å²	160.3	71%	0.711	82%	0.818	S	S	*	*			trans	-78.9	83.1	174.7	-78.1	-10.5	0	0	0	110.5	Y365	N363-Y365 PolarHBondContact O-N 2.86Å; N363-Y365 VanDerWaalsContact O-N 3.11Å
364	Q	21	Very low	22.2	Very low	154 Å²	154	162.2 Å²	162.2	72%	0.72	82%	0.823	S	S	*	*			trans	-72.2	96.3	167.1	-76.7	-175.1	-28.9	0	0	110.6	N362	N362-Q364 PolarHBondContact O-N 3.43Å
365	Y	23.4	Very low	22.1	Very low	221 Å²	221	158.5 Å²	158.5	87%	0.867	82%	0.818	S	S	*	*			trans	-77.5	115.2	153.1	-87.7	-88.7	0	0	0	108.4	N363	N363-Y365 PolarHBondContact O-N 2.86Å; N363-Y365 VanDerWaalsContact O-N 3.11Å
366	Q	20.3	Very low	22	Very low	182 Å²	182	156.2 Å²	156.2	85%	0.85	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-68.2	140.7	176.5	-74.7	178.2	-21.8	0	0	111.2
367	S	23.1	Very low	21.9	Very low	111 Å²	111	153.5 Å²	153.5	78%	0.776	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-89.4	146.5	177.6	48.7	0	0	0	0	112.2
368	P	22.6	Very low	22.4	Very low	126 Å²	126	150.2 Å²	150.2	82%	0.818	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-83.4	120	167.8	31.4	-30.1	0	0	0	111.2	G370	P368-G370 PolarHBondContact O-N 2.86Å
369	N	20.9	Very low	22.3	Very low	161 Å²	161	152.8 Å²	152.8	86%	0.861	81%	0.806	S	S	*	*			trans	-2.7	105.4	164.6	-71.9	-48	0	0	0	119
370	G	24.8	Very low	22.5	Very low	78 Å²	78	149.8 Å²	149.8	80%	0.804	80%	0.796	S	S	*	*			trans	-119.5	107.5	154.6	0	0	0	0	0	110.1	P368	P368-G370 PolarHBondContact O-N 2.86Å
371	K	21.6	Very low	22.4	Very low	196 Å²	196	148.8 Å²	148.8	85%	0.852	80%	0.795	S	S	*	*			trans	-77.5	122.7	-170.3	-63.1	175.9	179.2	178.1	0	113.2
372	R	22.5	Very low	22.4	Very low	243 Å²	243	149.3 Å²	149.3	92%	0.917	80%	0.798	S	S	*	*				179.9	132	110.7	-103.1	179.9	178.4	163.9	1	111.6
373	E	18.4	Very low	22.4	Very low	188 Å²	188	149.7 Å²	149.7	88%	0.879	81%	0.805	S	S	*	*			trans	-71.7	141.3	166.8	-58.7	173.6	148.3	0	0	110.2
374	L	26.3	Very low	22.4	Very low	162 Å²	162	149 Å²	149	85%	0.848	81%	0.811	S	S	*	*			trans	-155.2	97.9	150.7	-109.1	165.4	0	0	0	108.2
375	S	22.5	Very low	22.3	Very low	108 Å²	108	149.5 Å²	149.5	76%	0.755	82%	0.818	S	S	*	*			trans	14.5	106.3	160.9	55.9	0	0	0	0	118.4
376	V	20	Very low	22.3	Very low	145 Å²	145	147.8 Å²	147.8	88%	0.879	82%	0.817	S	S	*	*			trans	-82.9	130.9	158	175.2	0	0	0	0	109.3
377	S	22.3	Very low	22.8	Very low	107 Å²	107	145 Å²	145	75%	0.748	82%	0.817	S	S	*	*			trans	-153.3	153.2	165.5	-142.5	0	0	0	0	107.2
378	P	32.1	Very low	22.7	Very low	108 Å²	108	147.3 Å²	147.3	70%	0.701	82%	0.82	S	S	*	*				-113	-171.2	-100.5	5.7	17.6	0	0	0	113.9
379	E	18.1	Very low	22.7	Very low	180 Å²	180	149.1 Å²	149.1	84%	0.841	82%	0.818	S	S	*	*			trans	-17.7	160.2	154.3	-88.5	-175.4	118.1	0	0	119
380	P	25.7	Very low	22.8	Very low	94 Å²	94	151.8 Å²	151.8	61%	0.61	82%	0.816	S	S	*	*			cis	-141.4	176.6	0.6	32.9	-10.5	0	0	0	117.1
381	Q	20.1	Very low	23	Very low	180 Å²	180	153.8 Å²	153.8	84%	0.841	82%	0.817	S	S	*	*			trans	74.2	154.6	141.8	-84.5	173.7	27.9	0	0	123.3
382	V	21.2	Very low	23	Very low	131 Å²	131	150.7 Å²	150.7	79%	0.794	82%	0.815	S	S	*	*			trans	78.4	111.9	167.8	-158.6	0	0	0	0	118.4
383	T	21	Very low	23.1	Very low	135 Å²	135	146.7 Å²	146.7	83%	0.828	81%	0.811	S	S	*	*			trans	-69.5	133.8	168.1	47	0	0	0	0	113.3
384	S	22.2	Very low	23.3	Very low	120 Å²	120	145 Å²	145	84%	0.839	81%	0.807	S	S	*	*			trans	-152.9	139.6	150.5	65.9	0	0	0	0	112.8
385	L	18.4	Very low	23	Very low	164 Å²	164	145.9 Å²	145.9	86%	0.859	81%	0.807	S	S	*	*			trans	-78	131.4	171.1	-72.6	151.9	0	0	0	109.5
386	H	23.7	Very low	23.1	Very low	184 Å²	184	150 Å²	150	85%	0.852	81%	0.811	S	S	*	*			trans	165	98.3	135.1	-96.5	-76	0	0	0	112.6
387	S	30.5	Very low	23.1	Very low	123 Å²	123	148 Å²	148	86%	0.86	80%	0.803	S	S	*	*			trans	-155.7	51.5	160.1	53.1	0	0	0	0	113.2	Q389	S387-Q389 PolarHBondContact O-N 3.48Å
388	L	22.1	Very low	23.1	Very low	161 Å²	161	151.1 Å²	151.1	84%	0.843	81%	0.812	S	S	*	*			trans	-65.1	120.1	151.7	-93.3	162.5	0	0	0	108.7
389	Q	23	Very low	22.5	Very low	163 Å²	163	156.7 Å²	156.7	76%	0.762	82%	0.819	S	S	*	*			trans	-171.4	118.3	145	-107.3	166.1	33.5	0	0	114.3	S387	S387-Q389 PolarHBondContact O-N 3.48Å
390	R	22.6	Very low	22.6	Very low	218 Å²	218	154.1 Å²	154.1	82%	0.823	82%	0.816	S	S	*	*			trans	61.1	124.9	148.1	-57.5	172.1	-177.2	179.1	1.3	117.6
391	S	28.9	Very low	22.5	Very low	119 Å²	119	155.8 Å²	155.8	83%	0.832	83%	0.83	S	S	*	*				-159.4	126.7	66.5	-68	0	0	0	0	114.2
392	T	20.6	Very low	22.8	Very low	131 Å²	131	150.4 Å²	150.4	80%	0.804	82%	0.822	S	S	*	*			trans	-78.2	135.8	157.8	48	0	0	0	0	110.3
393	L	25.1	Very low	23	Very low	159 Å²	159	150.7 Å²	150.7	83%	0.832	83%	0.825	S	S	*	*			trans	-177.3	95.3	147.6	-97.4	149.9	0	0	0	107.4
394	L	23.5	Very low	23.3	Very low	152 Å²	152	153.8 Å²	153.8	80%	0.796	83%	0.83	S	S	*	*				74.1	115.8	94.1	-113.3	163.1	0	0	0	114.2	K396	L394-K396 PolarHBondContact O-N 2.65Å
395	E	20	Very low	23.6	Very low	181 Å²	181	154 Å²	154	85%	0.846	83%	0.826	S	S	*	*			trans	-53.7	126.1	167.6	-62.5	166.5	106.8	0	0	111.5
396	K	23.4	Very low	23.9	Very low	195 Å²	195	157.3 Å²	157.3	85%	0.848	83%	0.827	S	S	*	*			trans	-130.1	103	142.3	-83	-171.5	177	177.9	0	108.7	L394	L394-K396 PolarHBondContact O-N 2.65Å
397	S	20.5	Very low	24	Very low	102 Å²	102	155.4 Å²	155.4	71%	0.713	82%	0.823	S	S	*	*			trans	25.3	102.9	140.5	59.8	0	0	0	0	116.5
398	N	22.7	Very low	23.7	Very low	174 Å²	174	158 Å²	158	93%	0.93	82%	0.822	S	S	*	*			trans	-154	153.2	135.3	-104.9	-33.7	0	0	0	112.7
399	R	19.9	Very low	23.8	Very low	225 Å²	225	158.2 Å²	158.2	85%	0.849	82%	0.823	S	S	*	*			trans	-75.6	164.7	-167.7	-73.2	173.5	165.3	173.2	-5.7	113.7
400	T	20.1	Very low	23.8	Very low	126 Å²	126	159.2 Å²	159.2	77%	0.773	83%	0.825	S	S	*	*			trans	72.3	109.5	144.4	39	0	0	0	0	119.7
401	S	22.9	Very low	24	Very low	129 Å²	129	156.9 Å²	156.9	90%	0.902	83%	0.827	S	S	*	*				120.1	114.9	123.8	72.2	0	0	0	0	115.3
402	G	25.6	Very low	23.7	Very low	66 Å²	66	155.4 Å²	155.4	68%	0.68	82%	0.822	S	S	*	*	S	Bend	trans	148.1	84.5	175.3	0	0	0	0	0	114.2
403	T	26.6	Very low	23.8	Very low	138 Å²	138	156 Å²	156	85%	0.847	82%	0.82	S	S	*	*			trans	44.9	85.6	153.6	52.5	0	0	0	0	118	T405	T403-T405 PolarHBondContact O-N 3.09Å
404	E	26.9	Very low	23.8	Very low	199 Å²	199	159.2 Å²	159.2	93%	0.93	82%	0.823	S	S	*	*			trans	-72.1	116	161.1	-69.2	172.9	174.7	0	0	110.2
405	T	28.9	Very low	23.8	Very low	126 Å²	126	161 Å²	161	77%	0.773	82%	0.824	S	S	*	*			trans	-76.1	139.6	167.3	42.2	0	0	0	0	109.9	T403 D407	T403-T405 PolarHBondContact O-N 3.09Å; T405-D407 PolarHBondContact O-N 3.44Å
406	R	24.5	Very low	23.9	Very low	232 Å²	232	160.9 Å²	160.9	88%	0.875	83%	0.829	S	S	*	*	S	Bend	trans	-78.4	27.4	-158.5	-146.5	-178.4	78.1	147.6	2.2	116.1
407	D	26.7	Very low	23.9	Very low	144 Å²	144	156.1 Å²	156.1	77%	0.77	83%	0.826	S	S	*	*			trans	-121.4	53.9	-175.6	-70	-41.9	0	0	0	112.3	T405	T405-D407 PolarHBondContact O-N 3.44Å
408	Q	24	Very low	24.2	Very low	178 Å²	178	156.4 Å²	156.4	83%	0.832	83%	0.825	S	S	*	*			trans	-157.1	28.4	162.8	-120.9	152.5	105.4	0	0	115.9	F410	Q408-F410 PolarHBondContact O-N 3.4Å
409	L	22.9	Very low	24.1	Very low	166 Å²	166	155.2 Å²	155.2	87%	0.869	82%	0.819	S	S	*	*			trans	-78.5	52.4	166.1	-91.8	165.5	0	0	0	112.3
410	F	23.5	Very low	24.3	Very low	183 Å²	183	152.4 Å²	152.4	80%	0.803	82%	0.821	S	S	*	*			trans	-141.5	108.7	158.9	-74.9	-85	0	0	0	103.9	Q408	Q408-F410 PolarHBondContact O-N 3.4Å
411	I	26.3	Very low	24.2	Very low	170 Å²	170	154.8 Å²	154.8	87%	0.872	82%	0.823	S	S	*	*				-136.1	132.3	79.2	-72.9	129.7	0	0	0	110.2
412	A	23.9	Very low	24.2	Very low	87 Å²	87	157.2 Å²	157.2	72%	0.719	82%	0.824	S	S	*	*			trans	-75.6	127.9	168.7	0	0	0	0	0	110.1	Y414	A412-Y414 PolarHBondContact O-N 2.89Å; A412-Y414 VanDerWaalsContact O-N 3.07Å
413	D	22.3	Very low	24	Very low	143 Å²	143	157 Å²	157	77%	0.765	82%	0.822	S	S	*	*			trans	-58.8	106.2	163.7	-82.8	-59.1	0	0	0	110.3
414	Y	24.2	Very low	23.7	Very low	228 Å²	228	155.9 Å²	155.9	89%	0.894	82%	0.82	S	S	*	*			trans	-144.2	96.9	149.8	-100.5	-73.7	0	0	0	110.4	A412	A412-Y414 PolarHBondContact O-N 2.89Å; A412-Y414 VanDerWaalsContact O-N 3.07Å
415	K	23.3	Very low	23.7	Very low	189 Å²	189	152.6 Å²	152.6	82%	0.822	81%	0.814	S	S	*	*			trans	-61.8	147.3	170.5	-71.2	179.5	177.3	176	0	110.5	A417	K415-A417 PolarHBondContact O-N 2.74Å
416	L	22.5	Very low	23.4	Very low	179 Å²	179	154.7 Å²	154.7	94%	0.937	81%	0.812	S	S	*	*			trans	-53.8	129.2	171.3	-65.5	104.9	0	0	0	111.4
417	A	23.5	Very low	23.5	Very low	95 Å²	95	149.1 Å²	149.1	79%	0.785	81%	0.806	S	S	*	*			trans	-114.2	117.3	157.4	0	0	0	0	0	107.6	K415	K415-A417 PolarHBondContact O-N 2.74Å
418	P	27.3	Very low	23.4	Very low	108 Å²	108	149.5 Å²	149.5	70%	0.701	81%	0.808	S	S	*	*			trans	-79.9	162.7	177	33.5	-34.1	0	0	0	111.2
419	N	20.2	Very low	23.6	Very low	148 Å²	148	146 Å²	146	79%	0.791	80%	0.803	S	S	*	*			trans	67	103.1	176.9	-58.7	-19.1	0	0	0	116.3
420	N	24.6	Very low	23.8	Very low	167 Å²	167	147 Å²	147	89%	0.893	81%	0.809	S	S	*	*				-155.2	107.4	121.9	-96.2	-27	0	0	0	110.1
421	Q	18.9	Very low	23.7	Very low	176 Å²	176	141.4 Å²	141.4	82%	0.822	80%	0.796	S	S	*	*			trans	-72.8	165.7	152.4	-62.7	179	3.4	0	0	108.6
422	I	21	Very low	23.6	Very low	179 Å²	179	140.3 Å²	140.3	92%	0.918	79%	0.791	S	S	*	*			trans	110.5	133.3	174.6	-61.4	156.9	0	0	0	112.7
423	G	21.6	Very low	23.9	Very low	63 Å²	63	141.7 Å²	141.7	65%	0.649	79%	0.792	S	S	*	*			trans	121.7	49.4	160.4	0	0	0	0	0	117.1	T425	G423-T425 PolarHBondContact O-N 3.15Å
424	S	22	Very low	24.1	Very low	113 Å²	113	141.9 Å²	141.9	79%	0.79	78%	0.783	S	S	*	*			trans	-65.3	110.7	163.2	158.8	0	0	0	0	110.7
425	T	25.2	Very low	24	Very low	131 Å²	131	139.2 Å²	139.2	80%	0.804	78%	0.777	S	S	*	*			trans	-126.4	108.9	158	44.2	0	0	0	0	109.6	G423	G423-T425 PolarHBondContact O-N 3.15Å
426	K	22.3	Very low	24.1	Very low	169 Å²	169	132.1 Å²	132.1	74%	0.735	75%	0.753	S	S	*	*			trans	-70.9	131.6	173	-64.8	175.7	178	178.4	0	109.1	D428	K426-D428 PolarHBondContact O-N 3.5Å
427	P	28.1	Very low	24.2	Very low	116 Å²	116	129.7 Å²	129.7	75%	0.753	74%	0.735	S	S	*	*			trans	-81.1	102.9	155.5	30.8	-26.5	0	0	0	108.1	S429	P427-S429 PolarHBondContact O-N 3.46Å; P427-S429 VanDerWaalsContact O-N 3.11Å
428	D	23.8	Very low	24.3	Very low	152 Å²	152	130.9 Å²	130.9	81%	0.813	73%	0.726	S	S	*	*			trans	-67.3	105.1	166.9	-69.3	-46.7	0	0	0	109	K426	K426-D428 PolarHBondContact O-N 3.5Å
429	S	27.7	Very low	24.4	Very low	105 Å²	105	131 Å²	131	73%	0.734	73%	0.725	S	S	*	*			trans	-139.7	122.3	164.3	65.9	0	0	0	0	110.9	P427 A431	P427-S429 PolarHBondContact O-N 3.46Å; P427-S429 VanDerWaalsContact O-N 3.11Å; S429-A431 PolarHBondContact O-N 3.14Å; S429-A431 VanDerWaalsContact O-N 3.16Å
430	L	27.4	Very low	24.7	Very low	187 Å²	187	131.6 Å²	131.6	98%	0.979	72%	0.723	S	S	*	*			trans	-80.6	93.6	-170.6	-71.3	154.8	0	0	0	110.6
431	A	22.5	Very low	24.9	Very low	65 Å²	65	128.4 Å²	128.4	54%	0.537	71%	0.706	S	S	.	*			trans	-135.4	133.1	170.3	0	0	0	0	0	111.2	S429 A436	S429-A431 PolarHBondContact O-N 3.14Å; S429-A431 VanDerWaalsContact O-N 3.16Å; A431-A436 HydrophobicContact CB-CB 3.54Å
432	L	24.5	Very low	25.4	Very low	147 Å²	147	128.4 Å²	128.4	77%	0.77	70%	0.703	S	S	*	*			trans	-55.9	131.7	-175.8	-74.8	137.6	0	0	0	111	Y434 F435	L432-Y434 PolarHBondContact O-N 2.87Å; L432-F435 PolarHBondContact O-N 3.37Å
433	P	29.7	Very low	25.6	Very low	115 Å²	115	130.7 Å²	130.7	75%	0.747	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-14.2	-162.8	23.2	-33.9	0	0	0	115.1
434	Y	25.4	Very low	25.9	Very low	147 Å²	147	136.7 Å²	136.7	58%	0.576	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-29.7	-177.4	-140.6	-91.2	0	0	0	114.4	L432	L432-Y434 PolarHBondContact O-N 2.87Å
435	F	23.3	Very low	26	Very low	172 Å²	172	135.3 Å²	135.3	75%	0.754	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	-32.7	-173.3	-75	-77.7	0	0	0	114.5	L432 K437	L432-F435 PolarHBondContact O-N 3.37Å; F435-K437 PolarHBondContact O-N 2.88Å
436	A	24.1	Very low	25.8	Very low	40 Å²	40	138.5 Å²	138.5	33%	0.331	70%	0.702	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.8	-30.6	-174.5	0	0	0	0	0	114	A431 T439	A431-A436 HydrophobicContact CB-CB 3.54Å; A436-T439 PolarHBondContact O-OG1 3.09Å
437	K	26	Very low	26	Very low	128 Å²	128	138.5 Å²	138.5	56%	0.557	70%	0.702	S	S	*	*	H	α-helix	trans	-76.9	-21.3	-175.4	-106.2	-173.5	173.1	-170.5	0	114.8	F435 T439	F435-K437 PolarHBondContact O-N 2.88Å; K437-T439 VanDerWaalsContact C-N 3.32Å; K437-T439 PolarHBondContact O-N 2.85Å
438	M	25.1	Very low	25.6	Very low	120 Å²	120	141.2 Å²	141.2	59%	0.591	71%	0.705	S	S	*	*	H	α-helix	trans	-71.4	-26.2	179.5	-72.3	-151	-173.4	0	0	113.1
439	T	29.1	Very low	25.9	Very low	111 Å²	111	143.6 Å²	143.6	68%	0.681	70%	0.704	S	S	*	*	H	α-helix	trans	-85.3	-21.4	-177.1	41.1	0	0	0	0	115	A436 K437	A436-T439 PolarHBondContact O-OG1 3.09Å; K437-T439 VanDerWaalsContact C-N 3.32Å; K437-T439 PolarHBondContact O-N 2.85Å
440	E	27.2	Very low	25.6	Very low	161 Å²	161	145.9 Å²	145.9	75%	0.752	71%	0.708	S	S	*	*	H	α-helix	trans	-86.1	-25.4	178	-65.4	-166.5	149.2	0	0	112.9	K442	E440-K442 PolarHBondContact O-N 3.41Å
441	N	27.4	Very low	25.4	Very low	99 Å²	99	142.9 Å²	142.9	53%	0.529	70%	0.697	S	S	.	*			trans	-78.5	31.6	-176.7	-80.8	7.6	0	0	0	115	R443	N441-R443 PolarHBondContact O-N 2.82Å
442	K	30.5	Very low	25.5	Very low	176 Å²	176	145.9 Å²	145.9	77%	0.765	71%	0.709	S	S	*	*			trans	-69.3	-1.6	166.5	-92.6	-167	173.9	-170.7	0	113.9	E440 F444	E440-K442 PolarHBondContact O-N 3.41Å; K442-F444 PolarHBondContact O-N 3.41Å
443	R	24.7	Very low	25.4	Very low	228 Å²	228	143.6 Å²	143.6	86%	0.86	70%	0.701	S	S	*	*			trans	-90.1	78.7	171.1	-69.3	-172.6	177	-172.1	-0.3	110.9	N441 S445	N441-R443 PolarHBondContact O-N 2.82Å; R443-S445 VanDerWaalsContact C-N 3.31Å; R443-S445 PolarHBondContact O-N 3.45Å
444	F	27.5	Very low	25.3	Very low	188 Å²	188	146 Å²	146	83%	0.825	71%	0.708	S	S	*	*			trans	-63.1	92.5	162.7	-79.8	-87.2	0	0	0	109.8	K442 K446	K442-F444 PolarHBondContact O-N 3.41Å; F444-K446 PolarHBondContact O-N 3.42Å
445	S	24	Very low	25.2	Very low	84 Å²	84	145.9 Å²	145.9	59%	0.587	72%	0.717	S	S	*	*			trans	-63.1	105.8	167.3	-65.7	0	0	0	0	108.9	R443 F447	R443-S445 VanDerWaalsContact C-N 3.31Å; R443-S445 PolarHBondContact O-N 3.45Å; S445-F447 VanDerWaalsContact C-N 3.26Å; S445-F447 WeakPolarHBondContact O-CD2 3.5Å; S445-F447 PolarHBondContact O-N 2.9Å
446	K	22.2	Very low	25.4	Very low	198 Å²	198	145.5 Å²	145.5	86%	0.861	72%	0.723	S	S	*	*			trans	-60.9	93	161.9	-78.3	-178.1	175.4	179.6	0	107.7	F444 H448	F444-K446 PolarHBondContact O-N 3.42Å; K446-H448 PolarHBondContact O-N 3.11Å; K446-H448 VanDerWaalsContact O-N 3.16Å
447	F	25.9	Very low	25.4	Very low	169 Å²	169	150.4 Å²	150.4	74%	0.741	75%	0.749	S	S	*	*			trans	-71.1	110.3	177.2	-88.8	-82.7	0	0	0	109.7	S445 Y449	S445-F447 VanDerWaalsContact C-N 3.26Å; S445-F447 WeakPolarHBondContact O-CD2 3.5Å; S445-F447 PolarHBondContact O-N 2.9Å; F447-Y449 PolarHBondContact O-N 3.16Å
448	H	20.8	Very low	25.4	Very low	174 Å²	174	149 Å²	149	81%	0.806	76%	0.756	S	S	*	*			trans	-66.1	127.3	164.2	-75.1	-67	0	0	0	109.1	K446 N450	K446-H448 PolarHBondContact O-N 3.11Å; K446-H448 VanDerWaalsContact O-N 3.16Å; H448-N450 PolarHBondContact O-N 3.33Å
449	Y	28.7	Very low	25.3	Very low	202 Å²	202	150.6 Å²	150.6	79%	0.792	77%	0.766	S	S	*	*			trans	-69	120.9	164.7	-82.5	-90.1	0	0	0	109.1	F447 T451	F447-Y449 PolarHBondContact O-N 3.16Å; Y449-T451 VanDerWaalsContact C-N 3.33Å; Y449-T451 PolarHBondContact O-N 3.04Å
450	N	21.5	Very low	25.3	Very low	153 Å²	153	151.5 Å²	151.5	82%	0.818	77%	0.767	S	S	*	*			trans	-70.3	95	159.8	-86.2	-13.4	0	0	0	107.8	H448 T452	H448-N450 PolarHBondContact O-N 3.33Å; N450-T452 VanDerWaalsContact C-N 3.25Å; N450-T452 PolarHBondContact O-N 3.48Å
451	T	23.5	Very low	25.4	Very low	124 Å²	124	151.3 Å²	151.3	76%	0.761	77%	0.771	S	S	*	*			trans	-72.1	80.3	175.3	-46.5	0	0	0	0	109.9	Y449 T453	Y449-T451 VanDerWaalsContact C-N 3.33Å; Y449-T451 PolarHBondContact O-N 3.04Å; T451-T453 VanDerWaalsContact C-N 3.27Å; T451-T453 PolarHBondContact O-N 3.38Å
452	T	24.4	Very low	25.6	Very low	128 Å²	128	152 Å²	152	79%	0.785	78%	0.775	S	S	*	*			trans	-70.2	92.6	165.3	-47.2	0	0	0	0	108	N450 N454	N450-T452 VanDerWaalsContact C-N 3.25Å; N450-T452 PolarHBondContact O-N 3.48Å; T452-N454 PolarHBondContact O-N 3.19Å
453	T	23.6	Very low	25.7	Very low	98 Å²	98	151.1 Å²	151.1	60%	0.601	78%	0.779	S	S	*	*			trans	-17.3	110.9	171.7	47.4	0	0	0	0	115.6	T451	T451-T453 VanDerWaalsContact C-N 3.27Å; T451-T453 PolarHBondContact O-N 3.38Å
454	N	26.6	Very low	26.2	Very low	166 Å²	166	144.3 Å²	144.3	89%	0.888	76%	0.759	S	S	*	*			trans	-127.7	108.6	133.9	-105.8	-19.8	0	0	0	107.7	T452 N456	T452-N454 PolarHBondContact O-N 3.19Å; N454-N456 PolarHBondContact O-N 2.7Å; N454-N456 VanDerWaalsContact O-N 3.13Å
455	N	23.6	Very low	26.9	Very low	144 Å²	144	139.4 Å²	139.4	77%	0.77	74%	0.741	S	S	*	*			trans	-70.4	107.3	-175.2	-69.2	-23.3	0	0	0	110
456	N	26.7	Very low	27.3	Very low	164 Å²	164	138.6 Å²	138.6	88%	0.877	74%	0.739	S	S	*	*			trans	-141.2	95.8	150.5	-97.9	-28.3	0	0	0	108.8	N454 S458	N454-N456 PolarHBondContact O-N 2.7Å; N454-N456 VanDerWaalsContact O-N 3.13Å; N456-S458 PolarHBondContact O-N 3.23Å
457	T	24.1	Very low	28.3	Very low	143 Å²	143	130.6 Å²	130.6	88%	0.877	71%	0.707	S	S	*	*			trans	-60.1	118.8	176.9	25.7	0	0	0	0	112
458	S	25.7	Very low	28.7	Very low	100 Å²	100	124.7 Å²	124.7	70%	0.699	69%	0.687	S	S	*	*			trans	-138.1	127.1	144.3	-172.6	0	0	0	0	108.6	N456 N460	N456-S458 PolarHBondContact O-N 3.23Å; S458-N460 VanDerWaalsContact C-N 3.35Å; S458-N460 PolarHBondContact O-N 2.74Å
459	N	24.6	Very low	29.4	Very low	152 Å²	152	117 Å²	117	81%	0.813	65%	0.653	S	S	*	*			trans	-71.2	84.3	-177.7	-80.4	-19.6	0	0	0	111	N461	N459-N461 PolarHBondContact O-N 2.94Å
460	N	28.5	Very low	29.8	Very low	130 Å²	130	114.4 Å²	114.4	70%	0.695	65%	0.648	S	S	*	*			trans	-92.7	90.4	165.1	-94.2	-13.5	0	0	0	110	S458 N462	S458-N460 VanDerWaalsContact C-N 3.35Å; S458-N460 PolarHBondContact O-N 2.74Å; N460-N462 PolarHBondContact O-N 3.17Å
461	N	28.4	Very low	30.2	Very low	157 Å²	157	111.5 Å²	111.5	84%	0.84	64%	0.635	S	S	*	*			trans	-68.8	18.8	170.7	-94.9	-5.3	0	0	0	114	N459	N459-N461 PolarHBondContact O-N 2.94Å
462	N	32.4	Very low	30.8	Very low	113 Å²	113	109.9 Å²	109.9	60%	0.604	62%	0.62	S	S	*	*			trans	-97.8	95.1	172.7	-74.2	-13.3	0	0	0	108.6	N460 N464	N460-N462 PolarHBondContact O-N 3.17Å; N462-N464 PolarHBondContact O-N 3.02Å
463	N	33.4	Very low	31.1	Very low	159 Å²	159	111.2 Å²	111.2	85%	0.85	61%	0.611	S	S	*	*			trans	-69.1	37.5	170	-71.5	-22.4	0	0	0	112.5	I465	N463-I465 PolarHBondContact O-N 3.42Å
464	N	34.5	Very low	31.4	Very low	85 Å²	85	110.1 Å²	110.1	46%	0.455	61%	0.607	S	S	.	*	P	Polyproline II helix	trans	-72.9	121	174	-68	-16.5	0	0	0	107.7	N462 A466 I563	N462-N464 PolarHBondContact O-N 3.02Å; N464-A466 PolarHBondContact O-N 2.97Å; N464-A466 VanDerWaalsContact O-N 3.14Å; N464-I563 HydrophobicContact CB-CD1 4.28Å; N464-I563 WeakPolarHBondContact ND2-CD1 3.43Å
465	I	42.5	Very low	31.4	Very low	85 Å²	85	108.7 Å²	108.7	44%	0.436	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-65.8	116.6	171.7	-58.7	170.5	0	0	0	107.1	N463 V467 Y561 G562 I563	N463-I465 PolarHBondContact O-N 3.42Å; I465-V467 HydrophobicContact CG2-CG2 4.29Å; I465-V467 PolarHBondContact O-N 3.22Å; I465-Y561 WeakPolarHBondContact CB-O 3.39Å; I465-G562 CarbonylContact O-C 3.41Å; I465-G562 WeakPolarHBondContact O-CA 3.24Å; I465-I563 PolarHBondContact O-N 3.31Å; I465-I563 VanDerWaalsContact O-N 3.15Å
466	A	31.2	Very low	31.6	Very low	67 Å²	67	104.4 Å²	104.4	55%	0.554	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-67.9	116.2	166.4	0	0	0	0	0	107.9	N464 D565	N464-A466 PolarHBondContact O-N 2.97Å; N464-A466 VanDerWaalsContact O-N 3.14Å; A466-D565 WeakPolarHBondContact CB-OD1 3.46Å
467	V	43.3	Very low	32	Very low	29 Å²	29	102.4 Å²	102.4	18%	0.176	57%	0.573	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.4	107.1	174.1	-179.4	0	0	0	0	106.8	I465 A469 Y561 I563 D565 I572	I465-V467 HydrophobicContact CG2-CG2 4.29Å; I465-V467 PolarHBondContact O-N 3.22Å; V467-A469 PolarHBondContact O-N 3.11Å; V467-Y561 HydrophobicContact CG2-CD1 4.29Å; V467-Y561 HydrophobicContact CG2-CE1 4.46Å; V467-I563 PolarHBondContact N-O 2.86Å; V467-D565 PolarHBondContact O-N 3.29Å; V467-D565 VanDerWaalsContact O-N 3.13Å; V467-I572 HydrophobicContact CB-CD1 4.3Å; V467-I572 HydrophobicContact CG1-CD1 4.41Å; V467-I572 HydrophobicContact CG2-CD1 4.45Å
468	S	33.9	Very low	32.2	Very low	46 Å²	46	104.3 Å²	104.3	32%	0.322	57%	0.569	S	S	.	*			trans	-61.2	128.3	179.3	-55.7	0	0	0	0	111.4	E470 V471 D565	S468-E470 PolarHBondContact O-N 2.99Å; S468-V471 PolarHBondContact O-N 3.39Å; S468-D565 VanDerWaalsContact CA-CG 3.47Å; S468-D565 WeakPolarHBondContact CA-OD2 3.47Å; S468-D565 VanDerWaalsContact CB-OD2 3.24Å; S468-D565 WeakPolarHBondContact CB-OD2 3.39Å; S468-D565 PolarHBondContact OG-OD2 3.45Å
469	A	36.8	Very low	33.1	Very low	11 Å²	11	105.4 Å²	105.4	9%	0.091	58%	0.577	C	S	.	*	T	Hydrogen-bonded Turn	trans	-63.1	11.4	174	0	0	0	0	0	114.1	V467 I564	V467-A469 PolarHBondContact O-N 3.11Å; A469-I564 HydrophobicContact CB-CG2 3.76Å
470	E	36.3	Very low	33.7	Very low	149 Å²	149	101.8 Å²	101.8	70%	0.696	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125	-10.6	-177.3	-57.7	-171.7	152	0	0	112.2	S468	S468-E470 PolarHBondContact O-N 2.99Å
471	V	30.9	Very low	34.4	Very low	91 Å²	91	100 Å²	100	55%	0.552	56%	0.557	S	S	*	*			trans	-118	97.4	-168.5	-176.5	0	0	0	0	112.3	S468 R473	S468-V471 PolarHBondContact O-N 3.39Å; V471-R473 PolarHBondContact O-N 3.21Å
472	M	35.5	Very low	36.1	Very low	91 Å²	91	96.1 Å²	96.1	45%	0.448	54%	0.539	S	S	.	.			trans	-71.2	121.6	158	-84.5	-92.9	78.8	0	0	110.5	S474 S645 L646	M472-S474 PolarHBondContact O-N 3.26Å; M472-S645 WeakPolarHBondContact CE-O 3.5Å; M472-S645 VanDerWaalsContact SD-O 3.34Å; M472-L646 HydrophobicContact CG-CD1 3.5Å; M472-L646 HydrophobicContact SD-CB 4.23Å; M472-L646 HydrophobicContact SD-CD1 4.07Å
473	R	31.1	Very low	37.5	Very low	155 Å²	155	92.4 Å²	92.4	59%	0.585	52%	0.519	S	S	*	.			trans	-83.8	107.2	161.4	-70.6	-172.2	178.9	113.4	2.5	109.9	V471	V471-R473 PolarHBondContact O-N 3.21Å
474	S	28.9	Very low	39.1	Very low	75 Å²	75	86.8 Å²	86.8	52%	0.524	49%	0.487	S	S	.	.			trans	-113.6	117	145.4	59.3	0	0	0	0	107.9	M472 S476	M472-S474 PolarHBondContact O-N 3.26Å; S474-S476 VanDerWaalsContact C-N 3.3Å; S474-S476 PolarHBondContact O-N 3.2Å
475	E	28	Very low	40.6	Very low	137 Å²	137	85 Å²	85	64%	0.64	48%	0.477	S	S	*	.			trans	-77	80.9	-175.1	-70.8	-170.3	156.8	0	0	111.8
476	S	27	Very low	41.7	Very low	53 Å²	53	82 Å²	82	37%	0.371	47%	0.465	S	S	.	.			trans	-134.8	95.1	156.4	56.3	0	0	0	0	109.6	S474 K478	S474-S476 VanDerWaalsContact C-N 3.3Å; S474-S476 PolarHBondContact O-N 3.2Å; S476-K478 PolarHBondContact O-N 3.18Å
477	P	35.6	Very low	43.6	Very low	123 Å²	123	79 Å²	79	80%	0.799	44%	0.44	S	S	*	.			trans	-75.5	71.7	175.1	31.5	-34.2	0	0	0	110.4
478	K	28	Very low	44.9	Very low	182 Å²	182	80.7 Å²	80.7	79%	0.791	45%	0.445	S	S	*	.	S	Bend	trans	-174.8	96.7	161	-95.8	140.6	-166.9	-178.6	0	110.8	S476	S476-K478 PolarHBondContact O-N 3.18Å
479	S	44.9	Very low	46.7	Very low	124 Å²	124	84.5 Å²	84.5	87%	0.867	46%	0.46	S	S	*	.	S	Bend	trans	70.9	33.8	143.8	69.5	0	0	0	0	123.4
480	S	35.8	Very low	48.3	Very low	75 Å²	75	85.1 Å²	85.1	52%	0.524	46%	0.462	S	S	.	.			trans	-158.7	51.4	163.9	69.6	0	0	0	0	114.9
481	T	44.6	Very low	50.3	Low	94 Å²	94	78 Å²	78	58%	0.577	43%	0.429	S	S	*	.			trans	-112.8	53.3	-175.2	58.4	0	0	0	0	112.3
482	T	64.4	Low	52.2	Low	74 Å²	74	75.1 Å²	75.1	45%	0.454	41%	0.411	S	S	.	.			trans	-86.2	151.8	169.4	72	0	0	0	0	110.6	K484 D485 A486	T482-K484 PolarHBondContact O-N 3.09Å; T482-K484 WeakPolarHBondContact OG1-CB 3.44Å; T482-D485 WeakPolarHBondContact CB-OD2 3.3Å; T482-D485 PolarHBondContact N-OD2 2.94Å; T482-D485 VanDerWaalsContact N-OD2 3.09Å; T482-D485 WeakPolarHBondContact O-CB 3.46Å; T482-D485 PolarHBondContact O-N 3.27Å; T482-D485 PolarHBondContact OG1-N 3.25Å; T482-D485 PolarHBondContact OG1-OD2 3.2Å; T482-A486 PolarHBondContact O-N 3.25Å
483	L	61.3	Low	53.7	Low	36 Å²	36	70.9 Å²	70.9	19%	0.188	39%	0.391	C	S	.	.	H	α-helix	trans	-58.4	-29.3	172.4	178.6	153.4	0	0	0	111.6	D485 A486 L487 V648 L653 L656	L483-D485 VanDerWaalsContact C-N 3.35Å; L483-D485 PolarHBondContact O-N 3.37Å; L483-A486 PolarHBondContact O-N 3.24Å; L483-L487 HydrophobicContact CD2-CD1 3.54Å; L483-L487 HydrophobicContact CD2-CG 4.09Å; L483-L487 WeakPolarHBondContact O-CG 3.5Å; L483-L487 PolarHBondContact O-N 3.23Å; L483-V648 HydrophobicContact CD1-CG1 3.88Å; L483-V648 HydrophobicContact CD1-CG2 3.77Å; L483-L653 HydrophobicContact CD2-CD1 3.76Å; L483-L656 HydrophobicContact CB-CD1 3.78Å; L483-L656 HydrophobicContact CD2-CD1 4.1Å; L483-L656 HydrophobicContact CD2-CD2 4.16Å; L483-L656 HydrophobicContact CG-CD1 4.37Å
484	K	66.1	Low	55.4	Low	41 Å²	41	64 Å²	64	18%	0.178	37%	0.365	C	S	.	.	H	α-helix	trans	-59.6	-41.6	171	-174.1	-175.5	178.8	-171.8	0	111.7	T482 L487 K488 H660	T482-K484 PolarHBondContact O-N 3.09Å; T482-K484 WeakPolarHBondContact OG1-CB 3.44Å; K484-L487 PolarHBondContact O-N 3.44Å; K484-K488 WeakPolarHBondContact O-CB 3.17Å; K484-K488 VanDerWaalsContact O-CG 3.29Å; K484-K488 WeakPolarHBondContact O-CG 3.38Å; K484-K488 PolarHBondContact O-N 3.04Å; K484-H660 PolarHBondContact NZ-CD2 2.95Å; K484-H660 PolarHBondContact NZ-NE2 3.17Å
485	D	66.9	Low	57	Low	47 Å²	47	64.9 Å²	64.9	25%	0.251	36%	0.361	S	S	.	.	H	α-helix	trans	-69.1	-38.7	178.4	-55.7	-48.1	0	0	0	111.9	T482 L483 K488 I489	T482-D485 WeakPolarHBondContact CB-OD2 3.3Å; T482-D485 PolarHBondContact N-OD2 2.94Å; T482-D485 VanDerWaalsContact N-OD2 3.09Å; T482-D485 WeakPolarHBondContact O-CB 3.46Å; T482-D485 PolarHBondContact O-N 3.27Å; T482-D485 PolarHBondContact OG1-N 3.25Å; T482-D485 PolarHBondContact OG1-OD2 3.2Å; L483-D485 VanDerWaalsContact C-N 3.35Å; L483-D485 PolarHBondContact O-N 3.37Å; D485-K488 PolarHBondContact O-N 3.18Å; D485-I489 WeakPolarHBondContact O-CD1 3.28Å; D485-I489 VanDerWaalsContact O-CG1 3.31Å; D485-I489 WeakPolarHBondContact O-CG1 3.27Å; D485-I489 PolarHBondContact O-N 3.15Å; D485-I489 VanDerWaalsContact O-N 3.1Å
486	A	65.6	Low	58.4	Low	21 Å²	21	59 Å²	59	17%	0.174	33%	0.334	C	S	.	.	H	α-helix	trans	-61.7	-47.1	173.1	0	0	0	0	0	111.7	T482 L483 K488 I489 M490	T482-A486 PolarHBondContact O-N 3.25Å; L483-A486 PolarHBondContact O-N 3.24Å; A486-K488 VanDerWaalsContact C-N 3.35Å; A486-K488 PolarHBondContact O-N 3Å; A486-I489 PolarHBondContact O-N 3.26Å; A486-M490 WeakPolarHBondContact O-CG 3.43Å; A486-M490 PolarHBondContact O-N 3.24Å
487	L	71.8	Confident	59.8	Low	6 Å²	6	56.7 Å²	56.7	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-62.8	-38	176.5	-70.1	176.7	0	0	0	112.9	L483 K484 I489 M490 H491 L646 L653 F657 F689 L724	L483-L487 HydrophobicContact CD2-CD1 3.54Å; L483-L487 HydrophobicContact CD2-CG 4.09Å; L483-L487 WeakPolarHBondContact O-CG 3.5Å; L483-L487 PolarHBondContact O-N 3.23Å; K484-L487 PolarHBondContact O-N 3.44Å; L487-I489 VanDerWaalsContact C-N 3.31Å; L487-I489 PolarHBondContact O-N 2.83Å; L487-M490 PolarHBondContact O-N 3.08Å; L487-H491 PolarHBondContact O-N 3.44Å; L487-H491 VanDerWaalsContact O-N 3.13Å; L487-L646 HydrophobicContact CD2-CD2 3.88Å; L487-L646 HydrophobicContact CG-CD2 4.46Å; L487-L653 HydrophobicContact CD1-CD1 4.32Å; L487-F657 HydrophobicContact CD1-CE2 4.14Å; L487-F657 HydrophobicContact CD1-CZ 3.71Å; L487-F689 HydrophobicContact CD1-CD1 4.36Å; L487-F689 HydrophobicContact CD1-CE1 3.68Å; L487-F689 HydrophobicContact CD1-CE2 4.37Å; L487-F689 HydrophobicContact CD1-CZ 3.67Å; L487-F689 HydrophobicContact CD2-CE2 4.09Å; L487-F689 HydrophobicContact CD2-CZ 3.74Å; L487-F689 HydrophobicContact CG-CZ 4.34Å; L487-L724 HydrophobicContact CD2-CD1 4.07Å
488	K	70.6	Confident	60.8	Low	63 Å²	63	52.4 Å²	52.4	27%	0.274	29%	0.287	S	S	.	.	H	α-helix	trans	-60.2	-39.4	173.6	-79.6	176.6	171.3	-156.7	0	112.6	K484 D485 A486	K484-K488 WeakPolarHBondContact O-CB 3.17Å; K484-K488 VanDerWaalsContact O-CG 3.29Å; K484-K488 WeakPolarHBondContact O-CG 3.38Å; K484-K488 PolarHBondContact O-N 3.04Å; D485-K488 PolarHBondContact O-N 3.18Å; A486-K488 VanDerWaalsContact C-N 3.35Å; A486-K488 PolarHBondContact O-N 3Å
489	I	69.6	Low	61.9	Low	127 Å²	127	48.3 Å²	48.3	65%	0.651	27%	0.274	S	S	*	.	H	α-helix	trans	-72.3	-36.4	178.2	-66.8	163.8	0	0	0	111	D485 A486 L487	D485-I489 WeakPolarHBondContact O-CD1 3.28Å; D485-I489 VanDerWaalsContact O-CG1 3.31Å; D485-I489 WeakPolarHBondContact O-CG1 3.27Å; D485-I489 PolarHBondContact O-N 3.15Å; D485-I489 VanDerWaalsContact O-N 3.1Å; A486-I489 PolarHBondContact O-N 3.26Å; L487-I489 VanDerWaalsContact C-N 3.31Å; L487-I489 PolarHBondContact O-N 2.83Å
490	M	70.7	Confident	62.1	Low	24 Å²	24	43.9 Å²	43.9	12%	0.118	24%	0.239	C	C	.	.	H	α-helix	trans	-72.2	-31.8	-178.8	-72.9	179.4	63.4	0	0	114.4	A486 L487 L646 L724 T725	A486-M490 WeakPolarHBondContact O-CG 3.43Å; A486-M490 PolarHBondContact O-N 3.24Å; L487-M490 PolarHBondContact O-N 3.08Å; M490-L646 HydrophobicContact SD-CB 4.07Å; M490-L646 HydrophobicContact SD-CD2 4.29Å; M490-L724 HydrophobicContact CE-CB 3.96Å; M490-T725 VanDerWaalsContact CE-C 3.45Å
491	H	80	Confident	62.1	Low	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.25	C	C	.	.			trans	-125.3	96.5	-170.9	-61.4	-67	0	0	0	111.2	L487 L493 F494 D808 W809 I810	L487-H491 PolarHBondContact O-N 3.44Å; L487-H491 VanDerWaalsContact O-N 3.13Å; H491-L493 PolarHBondContact O-N 3.14Å; H491-F494 HydrophobicContact CB-CD2 3.55Å; H491-F494 HydrophobicContact CB-CE2 3.67Å; H491-F494 PolarHBondContact O-N 3.41Å; H491-D808 IonicContact CE1-OD1 2.89Å; H491-D808 IonicContact CG-OD1 3.18Å; H491-D808 IonicContact ND1-OD1 2.64Å; H491-D808 PolarHBondContact ND1-OD1 2.69Å; H491-W809 AromaticContact CE1-CD1 3.76Å; H491-W809 AromaticContact CE1-NE1 3.34Å; H491-W809 PolarHBondContact CE1-NE1 3.34Å; H491-W809 VanDerWaalsContact CE1-NE1 3.34Å; H491-W809 AromaticContact NE2-NE1 3.92Å; H491-I810 HydrophobicContact CB-CD1 4.3Å
492	P	69.4	Low	61.7	Low	29 Å²	29	48.1 Å²	48.1	19%	0.188	25%	0.253	C	S	.	.	H	α-helix	trans	-56.5	-25.9	-174.7	-27.2	35.1	0	0	0	114.9	F494 Q495 C496 K802	P492-F494 VanDerWaalsContact C-N 3.32Å; P492-F494 PolarHBondContact O-N 3.4Å; P492-Q495 PolarHBondContact O-N 3.43Å; P492-C496 PolarHBondContact O-N 2.85Å; P492-C496 VanDerWaalsContact O-N 3.11Å; P492-K802 HydrophobicContact CB-CB 3.85Å; P492-K802 HydrophobicContact CB-CD 4.42Å; P492-K802 HydrophobicContact CG-CB 4.27Å
493	L	67.4	Low	60.5	Low	3 Å²	3	49.7 Å²	49.7	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-31.9	178.1	-171.8	141.9	0	0	0	112.6	H491 L497 L688 T811 V814	H491-L493 PolarHBondContact O-N 3.14Å; L493-L497 HydrophobicContact CD2-CD1 3.58Å; L493-L497 HydrophobicContact CD2-CG 4.46Å; L493-L497 HydrophobicContact CG-CD1 4.29Å; L493-L497 WeakPolarHBondContact O-CB 3.23Å; L493-L497 VanDerWaalsContact O-CG 3.3Å; L493-L497 WeakPolarHBondContact O-CG 3.42Å; L493-L497 PolarHBondContact O-N 3.18Å; L493-L688 HydrophobicContact CD2-CD2 3.51Å; L493-T811 HydrophobicContact CD1-CG2 4.23Å; L493-T811 WeakPolarHBondContact CD1-OG1 3.49Å; L493-V814 HydrophobicContact CD1-CG2 4.45Å
494	F	66.3	Low	59.2	Low	11 Å²	11	54.9 Å²	54.9	5%	0.048	30%	0.296	C	S	.	.	H	α-helix	trans	-76.2	-32.8	173.6	-61.7	-50.4	0	0	0	113.5	H491 P492 Q498 C685 L688 F689 I810	H491-F494 HydrophobicContact CB-CD2 3.55Å; H491-F494 HydrophobicContact CB-CE2 3.67Å; H491-F494 PolarHBondContact O-N 3.41Å; P492-F494 VanDerWaalsContact C-N 3.32Å; P492-F494 PolarHBondContact O-N 3.4Å; F494-Q498 WeakPolarHBondContact O-CG 3.36Å; F494-Q498 PolarHBondContact O-N 3.45Å; F494-C685 HydrophobicContact CD1-CB 4.21Å; F494-C685 VanDerWaalsContact CE1-O 3.31Å; F494-C685 WeakPolarHBondContact CE1-O 3.47Å; F494-L688 HydrophobicContact CE1-CB 4.49Å; F494-L688 HydrophobicContact CE1-CD2 4.31Å; F494-F689 HydrophobicContact CD2-CD2 4.5Å; F494-F689 HydrophobicContact CE1-CB 3.77Å; F494-F689 HydrophobicContact CE2-CB 4.01Å; F494-F689 AromaticContact CE2-CD2 3.41Å; F494-F689 HydrophobicContact CE2-CD2 3.41Å; F494-F689 VanDerWaalsContact CE2-CD2 3.41Å; F494-F689 HydrophobicContact CE2-CE2 4.25Å; F494-F689 HydrophobicContact CE2-CG 4.06Å; F494-F689 HydrophobicContact CZ-CB 3.41Å; F494-F689 VanDerWaalsContact CZ-CB 3.41Å; F494-F689 AromaticContact CZ-CD2 3.52Å; F494-F689 HydrophobicContact CZ-CD2 3.52Å; F494-F689 AromaticContact CZ-CG 3.91Å; F494-F689 HydrophobicContact CZ-CG 3.91Å; F494-I810 HydrophobicContact CE2-CD1 3.47Å; F494-I810 VanDerWaalsContact CE2-CD1 3.47Å; F494-I810 HydrophobicContact CZ-CD1 3.63Å; F494-I810 HydrophobicContact CZ-CG2 4.06Å
495	Q	63.7	Low	57.7	Low	92 Å²	92	56.7 Å²	56.7	43%	0.43	31%	0.313	S	S	.	.	H	α-helix	trans	-61.3	-51.1	173.4	-179	176.3	15.8	0	0	109.5	P492 L497 Q498 D499	P492-Q495 PolarHBondContact O-N 3.43Å; Q495-L497 PolarHBondContact O-N 3.24Å; Q495-Q498 PolarHBondContact O-N 3.39Å; Q495-D499 VanDerWaalsContact CG-OD2 3.27Å; Q495-D499 WeakPolarHBondContact CG-OD2 3.39Å; Q495-D499 WeakPolarHBondContact O-CB 3.29Å; Q495-D499 PolarHBondContact O-N 3.42Å
496	C	56.6	Low	55.9	Low	13 Å²	13	60.2 Å²	60.2	9%	0.088	34%	0.342	C	S	.	.	H	α-helix	trans	-71.9	-28.4	-173.1	-149.3	0	0	0	0	114.4	P492 Q498 S799	P492-C496 PolarHBondContact O-N 2.85Å; P492-C496 VanDerWaalsContact O-N 3.11Å; C496-Q498 VanDerWaalsContact C-N 3.32Å; C496-S799 WeakPolarHBondContact CB-OG 3.34Å; C496-S799 PolarHBondContact SG-OG 3.35Å; C496-S799 VanDerWaalsContact SG-OG 3.34Å
497	L	56.7	Low	54.2	Low	6 Å²	6	63 Å²	63	3%	0.031	36%	0.36	C	S	.	.	H	α-helix	trans	-75.2	-19.2	174.4	-71.9	174	0	0	0	113.3	L493 Q495 C685 L688 N790	L493-L497 HydrophobicContact CD2-CD1 3.58Å; L493-L497 HydrophobicContact CD2-CG 4.46Å; L493-L497 HydrophobicContact CG-CD1 4.29Å; L493-L497 WeakPolarHBondContact O-CB 3.23Å; L493-L497 VanDerWaalsContact O-CG 3.3Å; L493-L497 WeakPolarHBondContact O-CG 3.42Å; L493-L497 PolarHBondContact O-N 3.18Å; Q495-L497 PolarHBondContact O-N 3.24Å; L497-C685 WeakPolarHBondContact CB-SG 3.26Å; L497-L688 HydrophobicContact CD1-CD2 3.98Å; L497-N790 HydrophobicContact CD2-CB 4.24Å
498	Q	55.8	Low	52.6	Low	32 Å²	32	67.9 Å²	67.9	15%	0.15	39%	0.392	C	S	.	.	H	α-helix	trans	-92.4	-29.5	173.2	-67.3	-167.1	-3	0	0	113.3	F494 Q495 C496 K500 Q682 C685	F494-Q498 WeakPolarHBondContact O-CG 3.36Å; F494-Q498 PolarHBondContact O-N 3.45Å; Q495-Q498 PolarHBondContact O-N 3.39Å; C496-Q498 VanDerWaalsContact C-N 3.32Å; Q498-K500 PolarHBondContact O-N 3.06Å; Q498-K500 VanDerWaalsContact O-N 3.14Å; Q498-Q682 HydrophobicContact CG-CG 4.11Å; Q498-C685 HydrophobicContact CG-CB 4.28Å
499	D	51	Low	50.9	Low	97 Å²	97	68.9 Å²	68.9	52%	0.519	40%	0.404	S	S	.	.			trans	-75.4	9.2	179.9	-73	-17.1	0	0	0	113.6	Q495 Q501	Q495-D499 VanDerWaalsContact CG-OD2 3.27Å; Q495-D499 WeakPolarHBondContact CG-OD2 3.39Å; Q495-D499 WeakPolarHBondContact O-CB 3.29Å; Q495-D499 PolarHBondContact O-N 3.42Å; D499-Q501 PolarHBondContact O-N 3.5Å
500	K	49.3	Very low	49.7	Very low	30 Å²	30	69 Å²	69	13%	0.13	41%	0.406	C	S	.	.			trans	-56.2	99.7	168.2	-78.4	179.6	-174.3	171.2	0	109.6	Q498 H678 E681 N790 E795	Q498-K500 PolarHBondContact O-N 3.06Å; Q498-K500 VanDerWaalsContact O-N 3.14Å; K500-H678 PolarHBondContact O-CE1 2.76Å; K500-E681 HydrophobicContact CD-CG 4.38Å; K500-E681 WeakPolarHBondContact CD-OE1 3.46Å; K500-E681 IonicContact NZ-OE1 2.69Å; K500-N790 PolarHBondContact NZ-OD1 2.79Å; K500-E795 VanDerWaalsContact CG-OE2 3.24Å; K500-E795 WeakPolarHBondContact CG-OE2 3.14Å
501	Q	35.4	Very low	48.3	Very low	160 Å²	160	75 Å²	75	75%	0.748	44%	0.438	S	S	*	.			trans	-67	142.6	156.9	-70.2	-166.2	-8.3	0	0	107.8	D499 T503	D499-Q501 PolarHBondContact O-N 3.5Å; Q501-T503 VanDerWaalsContact C-N 3.26Å; Q501-T503 PolarHBondContact O-N 3.01Å
502	P	37.9	Very low	46.7	Very low	99 Å²	99	79.4 Å²	79.4	64%	0.643	46%	0.459	S	S	*	.			trans	-64.6	90.5	173.4	26.5	-33.8	0	0	0	109.3	T504	P502-T504 PolarHBondContact O-N 3.21Å
503	T	38.8	Very low	45.9	Very low	106 Å²	106	83.8 Å²	83.8	65%	0.65	48%	0.477	S	S	*	.			trans	-67.4	103.2	175.5	51.6	0	0	0	0	108.2	Q501 S505	Q501-T503 VanDerWaalsContact C-N 3.26Å; Q501-T503 PolarHBondContact O-N 3.01Å; T503-S505 PolarHBondContact O-N 3.12Å
504	T	34.4	Very low	45.2	Very low	145 Å²	145	87.8 Å²	87.8	89%	0.89	51%	0.505	S	S	*	.			trans	-68.9	63.5	167.8	40	0	0	0	0	110.4	P502	P502-T504 PolarHBondContact O-N 3.21Å
505	S	33.9	Very low	44.8	Very low	79 Å²	79	93.2 Å²	93.2	55%	0.552	53%	0.53	S	S	*	.			trans	-120.6	67	173.6	63.1	0	0	0	0	110	T503 S507	T503-S505 PolarHBondContact O-N 3.12Å; S505-S507 PolarHBondContact O-N 3.33Å
506	S	29	Very low	44.9	Very low	121 Å²	121	93.3 Å²	93.3	85%	0.846	53%	0.534	S	S	*	.			trans	-65.9	79.4	157.7	56	0	0	0	0	109.4
507	S	29.3	Very low	45.3	Very low	80 Å²	80	95.1 Å²	95.1	56%	0.559	55%	0.546	S	S	*	.			trans	-117.5	91.2	166.8	60.2	0	0	0	0	108.5	S505 T509	S505-S507 PolarHBondContact O-N 3.33Å; S507-T509 PolarHBondContact O-N 3.3Å; S507-T509 VanDerWaalsContact O-N 3.11Å
508	P	38.4	Very low	46.2	Very low	109 Å²	109	101.4 Å²	101.4	71%	0.708	57%	0.573	S	S	*	*			trans	-67.4	110.6	174.3	28.2	-32.3	0	0	0	108.6
509	T	35.9	Very low	47.2	Very low	84 Å²	84	104.3 Å²	104.3	52%	0.515	59%	0.59	S	S	.	*			trans	-133.2	68.6	173.3	51.3	0	0	0	0	109.3	S507 N511 H512	S507-T509 PolarHBondContact O-N 3.3Å; S507-T509 VanDerWaalsContact O-N 3.11Å; T509-N511 PolarHBondContact O-N 3.11Å; T509-H512 PolarHBondContact O-N 3.04Å
510	D	44.8	Very low	48.3	Very low	130 Å²	130	100.3 Å²	100.3	70%	0.695	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-6.3	-172.1	-53.4	-18.9	0	0	0	114.6
511	N	40.2	Very low	49.6	Very low	148 Å²	148	101.3 Å²	101.3	79%	0.791	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-10.8	176.3	-74.3	-30.4	0	0	0	114.6	T509	T509-N511 PolarHBondContact O-N 3.11Å
512	H	47	Very low	51.8	Low	93 Å²	93	97.5 Å²	97.5	43%	0.431	56%	0.559	S	S	.	*	S	Bend	trans	-92.8	-12.5	-179.4	-78.1	-64.4	0	0	0	114.9	T509 S514 Q515 N516	T509-H512 PolarHBondContact O-N 3.04Å; H512-S514 VanDerWaalsContact C-N 3.31Å; H512-S514 PolarHBondContact O-N 3.33Å; H512-Q515 PolarHBondContact O-N 3.49Å; H512-Q515 VanDerWaalsContact O-N 3.14Å; H512-N516 WeakPolarHBondContact O-CB 3.49Å; H512-N516 VanDerWaalsContact O-CG 3.26Å; H512-N516 PolarHBondContact O-N 3.46Å; H512-N516 PolarHBondContact O-ND2 3.01Å
513	E	51.5	Low	53.9	Low	122 Å²	122	94.6 Å²	94.6	57%	0.57	54%	0.541	S	S	*	.	H	α-helix	trans	-57.9	-40.2	-178.4	-62.9	-162.7	139	0	0	113.4	Q515 N516 S517	E513-Q515 VanDerWaalsContact C-N 3.34Å; E513-Q515 PolarHBondContact O-N 3.49Å; E513-N516 PolarHBondContact O-N 2.89Å; E513-S517 WeakPolarHBondContact O-CB 3.2Å; E513-S517 PolarHBondContact O-N 3.39Å; E513-S517 PolarHBondContact O-OG 3.42Å
514	S	53	Low	56.1	Low	86 Å²	86	89.5 Å²	89.5	60%	0.601	51%	0.51	S	S	*	.	H	α-helix	trans	-69.2	-29.5	179.4	65.2	0	0	0	0	113.5	H512 S517 K518	H512-S514 VanDerWaalsContact C-N 3.31Å; H512-S514 PolarHBondContact O-N 3.33Å; S514-S517 WeakPolarHBondContact CA-OG 3.3Å; S514-S517 PolarHBondContact O-OG 2.95Å; S514-K518 WeakPolarHBondContact O-CB 3.47Å; S514-K518 PolarHBondContact O-N 3.48Å
515	Q	57.5	Low	58.4	Low	125 Å²	125	85 Å²	85	58%	0.584	48%	0.484	S	S	*	.	H	α-helix	trans	-81.6	-40.6	175.3	-67.2	-175.9	-5.3	0	0	111.2	H512 E513 K518 L519	H512-Q515 PolarHBondContact O-N 3.49Å; H512-Q515 VanDerWaalsContact O-N 3.14Å; E513-Q515 VanDerWaalsContact C-N 3.34Å; E513-Q515 PolarHBondContact O-N 3.49Å; Q515-K518 PolarHBondContact O-N 3.15Å; Q515-L519 WeakPolarHBondContact O-CB 3.07Å; Q515-L519 PolarHBondContact O-N 2.95Å
516	N	65.8	Low	60.9	Low	95 Å²	95	86.7 Å²	86.7	51%	0.508	48%	0.483	S	S	.	.	H	α-helix	trans	-64.3	-45	177.6	-70.5	-17.8	0	0	0	111.5	H512 E513 L519 L520	H512-N516 WeakPolarHBondContact O-CB 3.49Å; H512-N516 VanDerWaalsContact O-CG 3.26Å; H512-N516 PolarHBondContact O-N 3.46Å; H512-N516 PolarHBondContact O-ND2 3.01Å; E513-N516 PolarHBondContact O-N 2.89Å; N516-L519 PolarHBondContact O-N 3.33Å; N516-L520 VanDerWaalsContact O-CB 3.29Å; N516-L520 WeakPolarHBondContact O-CB 3.31Å; N516-L520 PolarHBondContact O-N 2.85Å
517	S	66.7	Low	63.7	Low	50 Å²	50	81.2 Å²	81.2	35%	0.35	44%	0.444	S	S	.	.	H	α-helix	trans	-59.9	-48.7	175.2	53.5	0	0	0	0	111.1	E513 S514 L519 L520 I521	E513-S517 WeakPolarHBondContact O-CB 3.2Å; E513-S517 PolarHBondContact O-N 3.39Å; E513-S517 PolarHBondContact O-OG 3.42Å; S514-S517 WeakPolarHBondContact CA-OG 3.3Å; S514-S517 PolarHBondContact O-OG 2.95Å; S517-L519 PolarHBondContact O-N 3.34Å; S517-L520 PolarHBondContact O-N 3.27Å; S517-I521 WeakPolarHBondContact O-CG1 2.96Å; S517-I521 PolarHBondContact O-N 3.37Å
518	K	74.2	Confident	66.3	Low	138 Å²	138	78.2 Å²	78.2	60%	0.6	42%	0.421	S	S	*	.	H	α-helix	trans	-60.3	-43.4	176.8	-173.5	174.9	-179.2	176.7	0	113.5	S514 Q515 L520 I521 D522	S514-K518 WeakPolarHBondContact O-CB 3.47Å; S514-K518 PolarHBondContact O-N 3.48Å; Q515-K518 PolarHBondContact O-N 3.15Å; K518-L520 VanDerWaalsContact C-N 3.31Å; K518-L520 PolarHBondContact O-N 3.35Å; K518-I521 WeakPolarHBondContact O-CB 3.33Å; K518-I521 PolarHBondContact O-N 2.82Å; K518-D522 PolarHBondContact O-N 3.2Å
519	L	76.6	Confident	68.5	Low	94 Å²	94	78.7 Å²	78.7	49%	0.492	41%	0.413	S	S	.	.	H	α-helix	trans	-60.1	-43.6	175.4	176.3	63	0	0	0	111.1	Q515 N516 S517 I521 D522 C523	Q515-L519 WeakPolarHBondContact O-CB 3.07Å; Q515-L519 PolarHBondContact O-N 2.95Å; N516-L519 PolarHBondContact O-N 3.33Å; S517-L519 PolarHBondContact O-N 3.34Å; L519-I521 VanDerWaalsContact C-N 3.35Å; L519-D522 PolarHBondContact O-N 3.48Å; L519-C523 WeakPolarHBondContact O-CB 3.45Å; L519-C523 PolarHBondContact O-N 3.28Å; L519-C523 PolarHBondContact O-SG 3.23Å
520	L	75.8	Confident	70.7	Confident	13 Å²	13	77 Å²	77	7%	0.068	40%	0.402	C	S	.	.	H	α-helix	trans	-67.7	-34.8	-179.7	-172.2	56.1	0	0	0	112	N516 S517 K518 C523 L524 Y791 I797 L800	N516-L520 VanDerWaalsContact O-CB 3.29Å; N516-L520 WeakPolarHBondContact O-CB 3.31Å; N516-L520 PolarHBondContact O-N 2.85Å; S517-L520 PolarHBondContact O-N 3.27Å; K518-L520 VanDerWaalsContact C-N 3.31Å; K518-L520 PolarHBondContact O-N 3.35Å; L520-C523 PolarHBondContact O-N 3.01Å; L520-L524 WeakPolarHBondContact O-CG 3.41Å; L520-L524 PolarHBondContact O-N 3.32Å; L520-Y791 HydrophobicContact CB-CE1 4.46Å; L520-Y791 HydrophobicContact CD2-CD1 3.55Å; L520-Y791 HydrophobicContact CD2-CD2 4.16Å; L520-Y791 HydrophobicContact CD2-CE1 3.3Å; L520-Y791 HydrophobicContact CD2-CE2 3.92Å; L520-Y791 HydrophobicContact CD2-CG 3.98Å; L520-Y791 VanDerWaalsContact CD2-CZ 3.49Å; L520-Y791 WeakPolarHBondContact CD2-O 3.46Å; L520-Y791 HydrophobicContact CG-CE1 3.79Å; L520-Y791 HydrophobicContact CG-CE2 4.14Å; L520-I797 HydrophobicContact CD1-CD1 4.34Å; L520-I797 HydrophobicContact CD1-CG1 3.76Å; L520-L800 HydrophobicContact CD1-CD1 4.31Å
521	I	76.5	Confident	72.5	Confident	51 Å²	51	71 Å²	71	26%	0.262	37%	0.37	S	S	.	.	H	α-helix	trans	-61.9	-50.2	170.3	-67.5	171.7	0	0	0	111.2	S517 K518 L519 C523 L524 S525 L819	S517-I521 WeakPolarHBondContact O-CG1 2.96Å; S517-I521 PolarHBondContact O-N 3.37Å; K518-I521 WeakPolarHBondContact O-CB 3.33Å; K518-I521 PolarHBondContact O-N 2.82Å; L519-I521 VanDerWaalsContact C-N 3.35Å; I521-C523 VanDerWaalsContact C-N 3.28Å; I521-C523 PolarHBondContact O-N 3.25Å; I521-L524 PolarHBondContact O-N 3.43Å; I521-S525 PolarHBondContact O-N 3.34Å; I521-L819 HydrophobicContact CG2-CD2 3.87Å
522	D	80.5	Confident	74.3	Confident	79 Å²	79	68.4 Å²	68.4	42%	0.422	36%	0.355	S	S	.	.	H	α-helix	trans	-57.5	-45.2	176.6	-74.5	-13.8	0	0	0	109.4	K518 L519 S525 E526	K518-D522 PolarHBondContact O-N 3.2Å; L519-D522 PolarHBondContact O-N 3.48Å; D522-S525 PolarHBondContact O-N 3.45Å; D522-S525 PolarHBondContact O-OG 3Å; D522-E526 WeakPolarHBondContact O-CG 3.47Å; D522-E526 PolarHBondContact O-N 2.83Å
523	C	82.5	Confident	75.8	Confident	38 Å²	38	70 Å²	70	26%	0.257	36%	0.36	S	S	.	.	H	α-helix	trans	-60.5	-43.9	174.8	-71.9	0	0	0	0	114.2	L519 L520 I521 S525 Y527 L800	L519-C523 WeakPolarHBondContact O-CB 3.45Å; L519-C523 PolarHBondContact O-N 3.28Å; L519-C523 PolarHBondContact O-SG 3.23Å; L520-C523 PolarHBondContact O-N 3.01Å; I521-C523 VanDerWaalsContact C-N 3.28Å; I521-C523 PolarHBondContact O-N 3.25Å; C523-S525 VanDerWaalsContact C-N 3.31Å; C523-S525 PolarHBondContact O-N 3.39Å; C523-Y527 VanDerWaalsContact O-CB 3.3Å; C523-Y527 WeakPolarHBondContact O-CB 3.49Å; C523-Y527 PolarHBondContact O-N 2.58Å; C523-L800 HydrophobicContact CB-CD1 4.48Å
524	L	84.6	Confident	76.9	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62.2	-40.1	174.6	-75.5	-167	0	0	0	111.9	L520 I521 Y527 L528 Y791 L800 A815 C818 L819	L520-L524 WeakPolarHBondContact O-CG 3.41Å; L520-L524 PolarHBondContact O-N 3.32Å; I521-L524 PolarHBondContact O-N 3.43Å; L524-Y527 PolarHBondContact O-N 2.9Å; L524-L528 PolarHBondContact O-N 3.47Å; L524-Y791 HydrophobicContact CD1-CE2 3.95Å; L524-Y791 WeakPolarHBondContact CD1-OH 3.47Å; L524-Y791 HydrophobicContact CG-CE2 4.49Å; L524-Y791 WeakPolarHBondContact CG-OH 3.47Å; L524-L800 HydrophobicContact CD2-CD1 3.72Å; L524-L800 HydrophobicContact CD2-CD2 3.68Å; L524-L800 HydrophobicContact CD2-CG 4.36Å; L524-A815 HydrophobicContact CD1-CB 4.48Å; L524-A815 HydrophobicContact CD2-CB 3.82Å; L524-C818 HydrophobicContact CD1-CB 3.44Å; L524-C818 VanDerWaalsContact CD1-CB 3.44Å; L524-L819 HydrophobicContact CB-CD1 4.08Å; L524-L819 HydrophobicContact CB-CD2 4.2Å; L524-L819 HydrophobicContact CB-CG 4.14Å; L524-L819 HydrophobicContact CD1-CD2 4.48Å; L524-L819 HydrophobicContact CD1-CG 4.14Å
525	S	83.8	Confident	77.6	Confident	49 Å²	49	65.2 Å²	65.2	34%	0.343	33%	0.326	S	S	.	.	H	α-helix	trans	-67.7	-41.4	-178.8	78.3	0	0	0	0	111.8	I521 D522 C523 F529	I521-S525 PolarHBondContact O-N 3.34Å; D522-S525 PolarHBondContact O-N 3.45Å; D522-S525 PolarHBondContact O-OG 3Å; C523-S525 VanDerWaalsContact C-N 3.31Å; C523-S525 PolarHBondContact O-N 3.39Å; S525-F529 VanDerWaalsContact O-CB 3.3Å; S525-F529 WeakPolarHBondContact O-CB 3.32Å; S525-F529 PolarHBondContact O-N 2.87Å
526	E	85.8	Confident	78.1	Confident	116 Å²	116	63.6 Å²	63.6	54%	0.542	33%	0.329	S	S	.	.	H	α-helix	trans	-70.7	-34.2	174.6	-69.6	-67	171.2	0	0	112.1	D522 F529 T530	D522-E526 WeakPolarHBondContact O-CG 3.47Å; D522-E526 PolarHBondContact O-N 2.83Å; E526-F529 PolarHBondContact O-N 3.05Å; E526-T530 VanDerWaalsContact O-CB 3.28Å; E526-T530 WeakPolarHBondContact O-CB 3.26Å; E526-T530 PolarHBondContact O-N 3.46Å; E526-T530 PolarHBondContact O-OG1 2.62Å
527	Y	86.7	Confident	78.3	Confident	6 Å²	6	64.2 Å²	64.2	2%	0.024	33%	0.332	C	S	.	.	H	α-helix	trans	-58.9	-55.4	170.6	170.6	-96.7	0	0	0	110.9	C523 L524 F529 T530 C531 L800 S803 I804 D808 T811 M812 A815	C523-Y527 VanDerWaalsContact O-CB 3.3Å; C523-Y527 WeakPolarHBondContact O-CB 3.49Å; C523-Y527 PolarHBondContact O-N 2.58Å; L524-Y527 PolarHBondContact O-N 2.9Å; Y527-F529 VanDerWaalsContact C-N 3.33Å; Y527-F529 PolarHBondContact O-N 3.05Å; Y527-T530 PolarHBondContact O-N 3.16Å; Y527-T530 VanDerWaalsContact O-N 3.14Å; Y527-C531 VanDerWaalsContact CZ-SG 3.56Å; Y527-C531 PolarHBondContact O-N 2.76Å; Y527-C531 PolarHBondContact O-SG 3.22Å; Y527-C531 VanDerWaalsContact O-SG 3.37Å; Y527-L800 HydrophobicContact CD1-CD2 4.44Å; Y527-L800 HydrophobicContact CD2-CB 4.26Å; Y527-L800 WeakPolarHBondContact CD2-O 3.45Å; Y527-L800 VanDerWaalsContact CE2-O 3.29Å; Y527-L800 WeakPolarHBondContact CE2-O 3.5Å; Y527-L800 HydrophobicContact CG-CD2 4.31Å; Y527-S803 PolarHBondContact OH-O 3.03Å; Y527-S803 VanDerWaalsContact OH-O 3.11Å; Y527-I804 HydrophobicContact CD2-CD1 4.25Å; Y527-I804 HydrophobicContact CD2-CG1 3.54Å; Y527-I804 HydrophobicContact CE2-CG1 3.71Å; Y527-D808 PolarHBondContact OH-O 3.21Å; Y527-T811 HydrophobicContact CE1-CG2 3.81Å; Y527-T811 HydrophobicContact CE2-CG2 4.07Å; Y527-T811 WeakPolarHBondContact OH-CB 3.46Å; Y527-M812 HydrophobicContact CE1-CG 3.91Å; Y527-A815 HydrophobicContact CD1-CB 3.95Å; Y527-A815 HydrophobicContact CE1-CB 4.24Å
528	L	84.3	Confident	78.2	Confident	16 Å²	16	67.5 Å²	67.5	8%	0.084	35%	0.346	C	S	.	.	H	α-helix	trans	-61.8	-40	178.2	-73.8	-176.3	0	0	0	112.2	L524 T530 C531 M532 M812 A815 R816 L819	L524-L528 PolarHBondContact O-N 3.47Å; L528-T530 VanDerWaalsContact C-N 3.32Å; L528-T530 PolarHBondContact O-N 2.85Å; L528-C531 PolarHBondContact O-N 3.11Å; L528-M532 WeakPolarHBondContact O-CB 3.29Å; L528-M532 VanDerWaalsContact O-CG 3.29Å; L528-M532 WeakPolarHBondContact O-CG 3.41Å; L528-M532 PolarHBondContact O-N 3.32Å; L528-M812 HydrophobicContact CD2-CB 4.35Å; L528-M812 HydrophobicContact CD2-CG 4.23Å; L528-A815 HydrophobicContact CD1-CB 4.12Å; L528-A815 HydrophobicContact CD2-CB 3.82Å; L528-A815 HydrophobicContact CG-CB 3.79Å; L528-R816 HydrophobicContact CD1-CG 3.78Å; L528-R816 HydrophobicContact CD2-CG 4.19Å; L528-L819 HydrophobicContact CD1-CD1 3.67Å
529	F	83.8	Confident	77.6	Confident	120 Å²	120	63.8 Å²	63.8	53%	0.526	33%	0.332	S	S	.	.	H	α-helix	trans	-60.2	-42.4	175	-179.5	-106.6	0	0	0	111.9	S525 E526 Y527 K533	S525-F529 VanDerWaalsContact O-CB 3.3Å; S525-F529 WeakPolarHBondContact O-CB 3.32Å; S525-F529 PolarHBondContact O-N 2.87Å; E526-F529 PolarHBondContact O-N 3.05Å; Y527-F529 VanDerWaalsContact C-N 3.33Å; Y527-F529 PolarHBondContact O-N 3.05Å; F529-K533 WeakPolarHBondContact O-CB 3.25Å; F529-K533 PolarHBondContact O-N 3.22Å
530	T	82.9	Confident	77	Confident	47 Å²	47	66.4 Å²	66.4	29%	0.288	34%	0.341	S	S	.	.	H	α-helix	trans	-66.5	-45.1	177.2	-58.3	0	0	0	0	111.6	E526 Y527 L528 M532 K533 L534 I804	E526-T530 VanDerWaalsContact O-CB 3.28Å; E526-T530 WeakPolarHBondContact O-CB 3.26Å; E526-T530 PolarHBondContact O-N 3.46Å; E526-T530 PolarHBondContact O-OG1 2.62Å; Y527-T530 PolarHBondContact O-N 3.16Å; Y527-T530 VanDerWaalsContact O-N 3.14Å; L528-T530 VanDerWaalsContact C-N 3.32Å; L528-T530 PolarHBondContact O-N 2.85Å; T530-M532 PolarHBondContact O-N 3.23Å; T530-K533 WeakPolarHBondContact O-CB 3.49Å; T530-K533 PolarHBondContact O-N 3.19Å; T530-K533 VanDerWaalsContact O-N 3.15Å; T530-L534 HydrophobicContact CG2-CD1 4.31Å; T530-L534 WeakPolarHBondContact O-CG 3.38Å; T530-L534 PolarHBondContact O-N 3.46Å; T530-I804 HydrophobicContact CG2-CG2 3.7Å
531	C	82	Confident	76.3	Confident	4 Å²	4	65.8 Å²	65.8	3%	0.027	34%	0.339	C	S	.	.	H	α-helix	trans	-63.8	-41.2	176.8	-66.5	0	0	0	0	112.2	Y527 L528 K533 L534 R535 P807 M812	Y527-C531 VanDerWaalsContact CZ-SG 3.56Å; Y527-C531 PolarHBondContact O-N 2.76Å; Y527-C531 PolarHBondContact O-SG 3.22Å; Y527-C531 VanDerWaalsContact O-SG 3.37Å; L528-C531 PolarHBondContact O-N 3.11Å; C531-K533 VanDerWaalsContact C-N 3.33Å; C531-K533 PolarHBondContact O-N 3.4Å; C531-L534 PolarHBondContact O-N 3.26Å; C531-R535 VanDerWaalsContact O-CB 3.32Å; C531-R535 WeakPolarHBondContact O-CB 3.29Å; C531-R535 PolarHBondContact O-N 3.03Å; C531-P807 HydrophobicContact CB-CB 4.16Å; C531-M812 HydrophobicContact CB-CG 4.44Å; C531-M812 HydrophobicContact CB-SD 3.97Å
532	M	78	Confident	75.4	Confident	95 Å²	95	65.7 Å²	65.7	47%	0.468	34%	0.337	S	S	.	.	H	α-helix	trans	-62	-39.1	171.8	-73.4	-171	-61.4	0	0	112.2	L528 T530 R535 S536	L528-M532 WeakPolarHBondContact O-CB 3.29Å; L528-M532 VanDerWaalsContact O-CG 3.29Å; L528-M532 WeakPolarHBondContact O-CG 3.41Å; L528-M532 PolarHBondContact O-N 3.32Å; T530-M532 PolarHBondContact O-N 3.23Å; M532-R535 PolarHBondContact O-N 3.13Å; M532-S536 PolarHBondContact O-N 2.91Å
533	K	79.1	Confident	74.3	Confident	127 Å²	127	65 Å²	65	55%	0.552	33%	0.33	S	S	*	.	H	α-helix	trans	-66.3	-47	176.8	-173.1	-179.3	178	-173.4	0	111.5	F529 T530 C531 R535 S536 L537	F529-K533 WeakPolarHBondContact O-CB 3.25Å; F529-K533 PolarHBondContact O-N 3.22Å; T530-K533 WeakPolarHBondContact O-CB 3.49Å; T530-K533 PolarHBondContact O-N 3.19Å; T530-K533 VanDerWaalsContact O-N 3.15Å; C531-K533 VanDerWaalsContact C-N 3.33Å; C531-K533 PolarHBondContact O-N 3.4Å; K533-R535 VanDerWaalsContact C-N 3.32Å; K533-R535 PolarHBondContact O-N 3.12Å; K533-S536 PolarHBondContact O-N 3.31Å; K533-S536 VanDerWaalsContact O-N 3.09Å; K533-S536 PolarHBondContact O-OG 3.19Å; K533-L537 PolarHBondContact O-N 3.17Å
534	L	73.7	Confident	73.1	Confident	39 Å²	39	63.5 Å²	63.5	20%	0.204	32%	0.321	C	S	.	.	H	α-helix	trans	-59	-43.3	175.2	-72.3	171.6	0	0	0	111.6	T530 C531 S536 L537 L539 I804 P807	T530-L534 HydrophobicContact CG2-CD1 4.31Å; T530-L534 WeakPolarHBondContact O-CG 3.38Å; T530-L534 PolarHBondContact O-N 3.46Å; C531-L534 PolarHBondContact O-N 3.26Å; L534-S536 VanDerWaalsContact C-N 3.27Å; L534-S536 PolarHBondContact O-N 3.21Å; L534-L537 HydrophobicContact CD2-CD1 4.46Å; L534-L537 WeakPolarHBondContact O-CB 3.49Å; L534-L537 PolarHBondContact O-N 3Å; L534-L537 VanDerWaalsContact O-N 3.11Å; L534-L539 HydrophobicContact CB-CD1 4.44Å; L534-L539 HydrophobicContact CD2-CD1 4.16Å; L534-I804 HydrophobicContact CD1-CG2 3.64Å; L534-I804 VanDerWaalsContact CD1-O 3.23Å; L534-I804 WeakPolarHBondContact CD1-O 3.47Å; L534-P807 HydrophobicContact CB-CG 4.49Å; L534-P807 HydrophobicContact CD1-CG 4.32Å
535	R	67.9	Low	71.6	Confident	67 Å²	67	64.4 Å²	64.4	25%	0.253	33%	0.326	S	S	.	.	H	α-helix	trans	-59.3	-35.8	174.1	-176	175.8	-166.4	179.9	5.2	113.1	C531 M532 K533 L537 D538 T545 T601 D603	C531-R535 VanDerWaalsContact O-CB 3.32Å; C531-R535 WeakPolarHBondContact O-CB 3.29Å; C531-R535 PolarHBondContact O-N 3.03Å; M532-R535 PolarHBondContact O-N 3.13Å; K533-R535 VanDerWaalsContact C-N 3.32Å; K533-R535 PolarHBondContact O-N 3.12Å; R535-L537 PolarHBondContact O-N 3.36Å; R535-D538 PolarHBondContact O-N 3.31Å; R535-T545 HydrophobicContact CB-CG2 4.23Å; R535-T545 HydrophobicContact CG-CG2 3.76Å; R535-T545 WeakPolarHBondContact CG-OG1 3.49Å; R535-T545 PolarHBondContact NE-OG1 3.46Å; R535-T601 PolarHBondContact NH2-OG1 3.35Å; R535-D603 IonicContact CZ-OD2 3.51Å; R535-D603 IonicContact NH1-OD2 3.25Å; R535-D603 PolarHBondContact NH1-OD2 3.16Å
536	S	69.5	Low	70.1	Confident	92 Å²	92	65.1 Å²	65.1	64%	0.643	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-10.3	178.3	75.3	0	0	0	0	114.6	M532 K533 L534	M532-S536 PolarHBondContact O-N 2.91Å; K533-S536 PolarHBondContact O-N 3.31Å; K533-S536 VanDerWaalsContact O-N 3.09Å; K533-S536 PolarHBondContact O-OG 3.19Å; L534-S536 VanDerWaalsContact C-N 3.27Å; L534-S536 PolarHBondContact O-N 3.21Å
537	L	70	Confident	68.5	Low	107 Å²	107	60 Å²	60	56%	0.56	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	3.3	178.6	-62.9	173.8	0	0	0	113.9	K533 L534 R535 L539	K533-L537 PolarHBondContact O-N 3.17Å; L534-L537 HydrophobicContact CD2-CD1 4.46Å; L534-L537 WeakPolarHBondContact O-CB 3.49Å; L534-L537 PolarHBondContact O-N 3Å; L534-L537 VanDerWaalsContact O-N 3.11Å; R535-L537 PolarHBondContact O-N 3.36Å; L537-L539 VanDerWaalsContact C-N 3.26Å; L537-L539 HydrophobicContact CB-CD2 4.09Å; L537-L539 HydrophobicContact CB-CG 3.96Å; L537-L539 PolarHBondContact O-N 3.35Å
538	D	64	Low	67	Low	120 Å²	120	61.5 Å²	61.5	64%	0.642	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	41.6	177.2	-156.3	23.6	0	0	0	113.4	R535	R535-D538 PolarHBondContact O-N 3.31Å
539	L	61.7	Low	65.4	Low	59 Å²	59	64.9 Å²	64.9	31%	0.309	33%	0.329	S	S	.	.			trans	-68.8	138.8	-177.1	-60.8	174.7	0	0	0	111.3	L534 L537 F543 A544	L534-L539 HydrophobicContact CB-CD1 4.44Å; L534-L539 HydrophobicContact CD2-CD1 4.16Å; L537-L539 VanDerWaalsContact C-N 3.26Å; L537-L539 HydrophobicContact CB-CD2 4.09Å; L537-L539 HydrophobicContact CB-CG 3.96Å; L537-L539 PolarHBondContact O-N 3.35Å; L539-F543 HydrophobicContact CB-CB 3.4Å; L539-F543 VanDerWaalsContact CB-CB 3.4Å; L539-F543 HydrophobicContact CB-CG 4.17Å; L539-F543 HydrophobicContact CD1-CB 3.96Å; L539-F543 HydrophobicContact CD1-CD1 3.78Å; L539-F543 HydrophobicContact CD1-CG 3.99Å; L539-F543 HydrophobicContact CG-CB 4.33Å; L539-F543 CarbonylContact O-C 3.04Å; L539-A544 WeakPolarHBondContact O-CA 3.32Å; L539-A544 WeakPolarHBondContact O-CB 3.29Å; L539-A544 PolarHBondContact O-N 3.09Å
540	Q	63.5	Low	64	Low	149 Å²	149	62 Å²	62	70%	0.696	32%	0.32	S	S	*	.			trans	-86.4	172.6	179.7	-64	-178.1	-1.6	0	0	112.7	F548	Q540-F548 HydrophobicContact CG-CZ 4.01Å
541	G	61.5	Low	62.4	Low	1 Å²	1	67.1 Å²	67.1	1%	0.01	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	72.1	-137.4	178.9	0	0	0	0	0	112.6	F543 A544 Y582	G541-F543 PolarHBondContact O-N 2.95Å; G541-A544 VanDerWaalsContact O-CB 3.22Å; G541-A544 WeakPolarHBondContact O-CB 3.33Å; G541-A544 PolarHBondContact O-N 3.08Å; G541-Y582 WeakPolarHBondContact CA-OH 3.44Å; G541-Y582 PolarHBondContact N-OH 2.84Å
542	E	58.5	Low	60.8	Low	48 Å²	48	74 Å²	74	22%	0.224	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-64.8	-20.6	-179.7	-63.1	178.8	164.4	0	0	113.7	A544 Y580 S727 P806	E542-A544 VanDerWaalsContact C-N 3.31Å; E542-Y580 HydrophobicContact CG-CE1 4.29Å; E542-S727 VanDerWaalsContact O-CB 3.27Å; E542-S727 WeakPolarHBondContact O-CB 3.44Å; E542-S727 PolarHBondContact O-OG 3.23Å; E542-P806 HydrophobicContact CB-CB 4.02Å; E542-P806 HydrophobicContact CB-CG 4.23Å
543	F	55.7	Low	59.8	Low	65 Å²	65	71 Å²	71	29%	0.285	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-81.3	-12.1	174.6	-63.1	-96.5	0	0	0	113	L539 G541 T545 A805	L539-F543 HydrophobicContact CB-CB 3.4Å; L539-F543 VanDerWaalsContact CB-CB 3.4Å; L539-F543 HydrophobicContact CB-CG 4.17Å; L539-F543 HydrophobicContact CD1-CB 3.96Å; L539-F543 HydrophobicContact CD1-CD1 3.78Å; L539-F543 HydrophobicContact CD1-CG 3.99Å; L539-F543 HydrophobicContact CG-CB 4.33Å; L539-F543 CarbonylContact O-C 3.04Å; G541-F543 PolarHBondContact O-N 2.95Å; F543-T545 VanDerWaalsContact C-N 3.31Å; F543-T545 PolarHBondContact O-N 3.22Å; F543-A805 HydrophobicContact CE1-CB 3.84Å; F543-A805 HydrophobicContact CZ-CB 3.98Å
544	A	57.5	Low	59.1	Low	7 Å²	7	68.5 Å²	68.5	6%	0.058	35%	0.351	C	S	.	.			trans	-71.7	87.7	178.7	0	0	0	0	0	109.6	L539 G541 E542 F546 F548	L539-A544 WeakPolarHBondContact O-CA 3.32Å; L539-A544 WeakPolarHBondContact O-CB 3.29Å; L539-A544 PolarHBondContact O-N 3.09Å; G541-A544 VanDerWaalsContact O-CB 3.22Å; G541-A544 WeakPolarHBondContact O-CB 3.33Å; G541-A544 PolarHBondContact O-N 3.08Å; E542-A544 VanDerWaalsContact C-N 3.31Å; A544-F546 PolarHBondContact O-N 3.02Å; A544-F548 HydrophobicContact CB-CE2 3.83Å; A544-F548 HydrophobicContact CB-CZ 4.11Å
545	T	53.8	Low	58.6	Low	18 Å²	18	69.2 Å²	69.2	11%	0.11	35%	0.353	C	S	.	.			trans	-59.4	-13.5	175.3	66.9	0	0	0	0	113	R535 F543 T601	R535-T545 HydrophobicContact CB-CG2 4.23Å; R535-T545 HydrophobicContact CG-CG2 3.76Å; R535-T545 WeakPolarHBondContact CG-OG1 3.49Å; R535-T545 PolarHBondContact NE-OG1 3.46Å; F543-T545 VanDerWaalsContact C-N 3.31Å; F543-T545 PolarHBondContact O-N 3.22Å; T545-T601 WeakPolarHBondContact O-CG2 3.44Å
546	F	52.6	Low	58.4	Low	65 Å²	65	74.5 Å²	74.5	29%	0.285	38%	0.381	S	S	.	.	S	Bend	trans	-140.6	147.9	-171.4	-117.2	-77.5	0	0	0	116.2	A544 F548 T599 T601	A544-F546 PolarHBondContact O-N 3.02Å; F546-F548 PolarHBondContact O-N 3.19Å; F546-T599 VanDerWaalsContact CE1-O 3.28Å; F546-T599 WeakPolarHBondContact CE1-O 3.31Å; F546-T599 WeakPolarHBondContact CZ-O 3.36Å; F546-T601 HydrophobicContact CD2-CG2 3.67Å; F546-T601 HydrophobicContact CE2-CG2 3.36Å; F546-T601 VanDerWaalsContact CE2-N 3.31Å; F546-T601 HydrophobicContact CZ-CG2 4.22Å; F546-T601 VanDerWaalsContact CZ-N 3.34Å
547	V	52.2	Low	58.2	Low	9 Å²	9	74 Å²	74	6%	0.055	37%	0.374	C	S	.	.			trans	-52.3	108.3	166.9	-150.1	0	0	0	0	111.3	P549 L585 L640 L641 H642	V547-P549 VanDerWaalsContact O-CD 3.24Å; V547-P549 WeakPolarHBondContact O-CD 3.33Å; V547-L585 HydrophobicContact CG1-CD1 4.24Å; V547-L640 HydrophobicContact CB-CB 4.4Å; V547-L640 HydrophobicContact CB-CD1 4.04Å; V547-L640 HydrophobicContact CB-CD2 4.04Å; V547-L640 HydrophobicContact CB-CG 4.35Å; V547-L640 VanDerWaalsContact CG1-CA 3.48Å; V547-L640 HydrophobicContact CG1-CB 3.25Å; V547-L640 HydrophobicContact CG1-CD1 3.65Å; V547-L640 HydrophobicContact CG1-CD2 3.74Å; V547-L640 HydrophobicContact CG1-CG 3.67Å; V547-L641 VanDerWaalsContact CA-O 3.29Å; V547-L641 WeakPolarHBondContact CA-O 3.14Å; V547-L641 VanDerWaalsContact CG1-N 3.33Å; V547-H642 HydrophobicContact CG2-CB 4.39Å
548	F	53.9	Low	58.4	Low	37 Å²	37	71 Å²	71	16%	0.162	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	120.4	179.9	-71.2	-78.9	0	0	0	111	Q540 A544 F546 L550 L641	Q540-F548 HydrophobicContact CG-CZ 4.01Å; A544-F548 HydrophobicContact CB-CE2 3.83Å; A544-F548 HydrophobicContact CB-CZ 4.11Å; F546-F548 PolarHBondContact O-N 3.19Å; F548-L550 HydrophobicContact CB-CD2 4.39Å; F548-L550 HydrophobicContact CB-CG 3.95Å; F548-L550 PolarHBondContact O-N 3.44Å; F548-L641 PolarHBondContact N-O 3.1Å
549	P	51.9	Low	58.8	Low	86 Å²	86	70.4 Å²	70.4	56%	0.558	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	78	164.6	33.3	-33.3	0	0	0	108.7	V547 K551 L640	V547-P549 VanDerWaalsContact O-CD 3.24Å; V547-P549 WeakPolarHBondContact O-CD 3.33Å; P549-K551 VanDerWaalsContact C-N 3.33Å; P549-K551 PolarHBondContact O-N 3.39Å; P549-L640 HydrophobicContact CB-CD2 4.02Å
550	L	53.1	Low	59.3	Low	61 Å²	61	73.9 Å²	73.9	32%	0.319	37%	0.365	S	S	.	.			trans	-71.1	89.9	176	-75.8	179.8	0	0	0	109.3	F548 N552 F553 W558 L641	F548-L550 HydrophobicContact CB-CD2 4.39Å; F548-L550 HydrophobicContact CB-CG 3.95Å; F548-L550 PolarHBondContact O-N 3.44Å; L550-N552 PolarHBondContact O-N 3.45Å; L550-F553 HydrophobicContact CB-CB 3.66Å; L550-F553 HydrophobicContact CD1-CB 4.23Å; L550-F553 HydrophobicContact CD1-CD2 3.67Å; L550-F553 HydrophobicContact CD1-CG 4.33Å; L550-F553 PolarHBondContact O-N 2.95Å; L550-W558 HydrophobicContact CD1-CZ2 4.15Å; L550-L641 HydrophobicContact CD1-CD1 3.52Å; L550-L641 HydrophobicContact CD1-CG 4.33Å
551	K	49.7	Very low	59.4	Low	153 Å²	153	70.8 Å²	70.8	67%	0.665	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-27.2	170.1	-73	-161.7	171.5	-157.7	0	112.6	P549	P549-K551 VanDerWaalsContact C-N 3.33Å; P549-K551 PolarHBondContact O-N 3.39Å
552	N	50	Low	60.1	Low	149 Å²	149	71 Å²	71	80%	0.797	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	39.6	178.7	-58.9	2.6	0	0	0	111.8	L550 N554	L550-N552 PolarHBondContact O-N 3.45Å; N552-N554 PolarHBondContact O-N 2.77Å
553	F	56.9	Low	60.9	Low	32 Å²	32	70.5 Å²	70.5	14%	0.14	35%	0.348	C	S	.	.			trans	-66.4	98.1	172.4	-175.6	-127.8	0	0	0	110.4	L550 E555 W558 V573 V584 K639 L641	L550-F553 HydrophobicContact CB-CB 3.66Å; L550-F553 HydrophobicContact CD1-CB 4.23Å; L550-F553 HydrophobicContact CD1-CD2 3.67Å; L550-F553 HydrophobicContact CD1-CG 4.33Å; L550-F553 PolarHBondContact O-N 2.95Å; F553-E555 HydrophobicContact CD1-CG 3.84Å; F553-E555 HydrophobicContact CE1-CB 4.48Å; F553-E555 HydrophobicContact CE1-CG 3.31Å; F553-E555 HydrophobicContact CZ-CG 3.93Å; F553-E555 PolarHBondContact O-N 3.47Å; F553-W558 AromaticContact CD2-NE1 3.99Å; F553-W558 HydrophobicContact CE2-CB 4.42Å; F553-W558 AromaticContact CE2-CD1 3.77Å; F553-W558 AromaticContact CE2-CD2 3.65Å; F553-W558 HydrophobicContact CE2-CD2 3.65Å; F553-W558 AromaticContact CE2-CE2 3.73Å; F553-W558 HydrophobicContact CE2-CE3 4.21Å; F553-W558 AromaticContact CE2-CG 3.71Å; F553-W558 HydrophobicContact CE2-CG 3.71Å; F553-W558 HydrophobicContact CE2-CZ2 4.35Å; F553-W558 AromaticContact CE2-NE1 3.79Å; F553-W558 HydrophobicContact CZ-CD2 4.49Å; F553-W558 HydrophobicContact CZ-CG 4.38Å; F553-V573 HydrophobicContact CZ-CG2 4.29Å; F553-V584 HydrophobicContact CE1-CG1 4.2Å; F553-V584 HydrophobicContact CE1-CG2 4.34Å; F553-V584 HydrophobicContact CZ-CG2 4.18Å; F553-K639 HydrophobicContact CD1-CB 3.85Å; F553-K639 HydrophobicContact CD1-CD 3.81Å; F553-K639 HydrophobicContact CD1-CG 4.44Å; F553-K639 HydrophobicContact CE1-CB 4.42Å; F553-K639 HydrophobicContact CE1-CD 4.1Å; F553-L641 HydrophobicContact CD2-CD1 4.07Å; F553-L641 HydrophobicContact CE1-CD2 4.45Å; F553-L641 HydrophobicContact CE2-CD1 3.78Å; F553-L641 HydrophobicContact CE2-CD2 4.01Å; F553-L641 HydrophobicContact CE2-CG 4.32Å; F553-L641 HydrophobicContact CZ-CD2 3.91Å
554	N	63	Low	61.8	Low	74 Å²	74	67.5 Å²	67.5	40%	0.396	34%	0.335	S	S	.	.			trans	-88.6	99.5	170	-171.6	-1.4	0	0	0	110	N552 Q556 V557	N552-N554 PolarHBondContact O-N 2.77Å; N554-Q556 PolarHBondContact O-N 3.13Å; N554-Q556 VanDerWaalsContact OD1-CB 3.27Å; N554-Q556 WeakPolarHBondContact OD1-CB 3.5Å; N554-Q556 WeakPolarHBondContact OD1-CG 3.48Å; N554-Q556 PolarHBondContact OD1-N 3.26Å; N554-V557 HydrophobicContact CB-CG2 4.04Å; N554-V557 PolarHBondContact O-N 2.61Å; N554-V557 VanDerWaalsContact O-N 3.08Å
555	E	63.6	Low	62.2	Low	54 Å²	54	69.7 Å²	69.7	25%	0.252	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-23.3	174.5	-81.1	-170	-167.6	0	0	114.3	F553 V557 W558 K560 K639	F553-E555 HydrophobicContact CD1-CG 3.84Å; F553-E555 HydrophobicContact CE1-CB 4.48Å; F553-E555 HydrophobicContact CE1-CG 3.31Å; F553-E555 HydrophobicContact CZ-CG 3.93Å; F553-E555 PolarHBondContact O-N 3.47Å; E555-V557 VanDerWaalsContact C-N 3.29Å; E555-V557 PolarHBondContact O-N 3.09Å; E555-W558 PolarHBondContact O-N 3.24Å; E555-K560 IonicContact OE2-NZ 2.74Å; E555-K560 PolarHBondContact OE2-NZ 3.22Å; E555-K639 IonicContact OE1-NZ 3.99Å; E555-K639 PolarHBondContact OE1-NZ 3.2Å
556	Q	64.2	Low	63	Low	178 Å²	178	75.3 Å²	75.3	83%	0.832	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-21.6	-179.2	-58.1	174.9	-13.6	0	0	113.1	N554	N554-Q556 PolarHBondContact O-N 3.13Å; N554-Q556 VanDerWaalsContact OD1-CB 3.27Å; N554-Q556 WeakPolarHBondContact OD1-CB 3.5Å; N554-Q556 WeakPolarHBondContact OD1-CG 3.48Å; N554-Q556 PolarHBondContact OD1-N 3.26Å
557	V	66.1	Low	64.1	Low	82 Å²	82	72.6 Å²	72.6	50%	0.497	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-14.7	179.9	-171.2	0	0	0	0	111.3	N554 E555 P576	N554-V557 HydrophobicContact CB-CG2 4.04Å; N554-V557 PolarHBondContact O-N 2.61Å; N554-V557 VanDerWaalsContact O-N 3.08Å; E555-V557 VanDerWaalsContact C-N 3.29Å; E555-V557 PolarHBondContact O-N 3.09Å; V557-P576 HydrophobicContact CG1-CB 4.21Å; V557-P576 HydrophobicContact CG1-CG 4.08Å
558	W	72.9	Confident	65	Low	43 Å²	43	78.4 Å²	78.4	16%	0.163	39%	0.394	C	S	.	.	S	Bend	trans	-101	133.2	-175.6	-73	65	0	0	0	110.6	L550 F553 E555 K560 V573 A575 Y582 L641	L550-W558 HydrophobicContact CD1-CZ2 4.15Å; F553-W558 AromaticContact CD2-NE1 3.99Å; F553-W558 HydrophobicContact CE2-CB 4.42Å; F553-W558 AromaticContact CE2-CD1 3.77Å; F553-W558 AromaticContact CE2-CD2 3.65Å; F553-W558 HydrophobicContact CE2-CD2 3.65Å; F553-W558 AromaticContact CE2-CE2 3.73Å; F553-W558 HydrophobicContact CE2-CE3 4.21Å; F553-W558 AromaticContact CE2-CG 3.71Å; F553-W558 HydrophobicContact CE2-CG 3.71Å; F553-W558 HydrophobicContact CE2-CZ2 4.35Å; F553-W558 AromaticContact CE2-NE1 3.79Å; F553-W558 HydrophobicContact CZ-CD2 4.49Å; F553-W558 HydrophobicContact CZ-CG 4.38Å; E555-W558 PolarHBondContact O-N 3.24Å; W558-K560 PolarHBondContact O-N 2.96Å; W558-V573 HydrophobicContact CB-CB 4.29Å; W558-V573 HydrophobicContact CD2-CG2 4.48Å; W558-V573 HydrophobicContact CE3-CB 4.02Å; W558-V573 HydrophobicContact CE3-CG2 3.58Å; W558-V573 HydrophobicContact CZ3-CG2 4.06Å; W558-A575 HydrophobicContact CE3-CB 4.06Å; W558-A575 HydrophobicContact CH2-CB 3.55Å; W558-A575 HydrophobicContact CZ2-CB 4.16Å; W558-A575 HydrophobicContact CZ3-CB 3.5Å; W558-Y582 HydrophobicContact CH2-CD2 4.15Å; W558-Y582 HydrophobicContact CH2-CE2 4.33Å; W558-Y582 AromaticContact CZ3-CD2 3.61Å; W558-Y582 HydrophobicContact CZ3-CD2 3.61Å; W558-Y582 HydrophobicContact CZ3-CE2 4.16Å; W558-Y582 HydrophobicContact CZ3-CG 4.09Å; W558-L641 HydrophobicContact CE3-CD1 4.3Å; W558-L641 HydrophobicContact CH2-CD1 3.27Å; W558-L641 HydrophobicContact CZ2-CD1 3.7Å; W558-L641 HydrophobicContact CZ3-CD1 3.61Å
559	N	72.5	Confident	65.9	Low	108 Å²	108	80.7 Å²	80.7	58%	0.578	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	114.6	179.4	-70.2	-36.9	0	0	0	109	Y561 V573 C574	N559-Y561 PolarHBondContact O-N 2.94Å; N559-Y561 VanDerWaalsContact O-N 3.15Å; N559-V573 CarbonylContact O-C 3.6Å; N559-V573 WeakPolarHBondContact O-CA 3.08Å; N559-C574 HydrophobicContact CB-CB 4.35Å; N559-C574 PolarHBondContact N-O 2.78Å; N559-C574 PolarHBondContact O-N 3.27Å
560	K	72.5	Confident	67.2	Low	133 Å²	133	76.6 Å²	76.6	58%	0.578	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	110.1	172	-65.4	-171.2	177.3	-169.4	0	108.3	E555 W558 V573	E555-K560 IonicContact OE2-NZ 2.74Å; E555-K560 PolarHBondContact OE2-NZ 3.22Å; W558-K560 PolarHBondContact O-N 2.96Å; K560-V573 HydrophobicContact CG-CG1 4.39Å
561	Y	66.2	Low	68.4	Low	83 Å²	83	75.5 Å²	75.5	33%	0.325	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-38.3	-173.5	-162.9	-91.7	0	0	0	111.5	I465 V467 N559 I572	I465-Y561 WeakPolarHBondContact CB-O 3.39Å; V467-Y561 HydrophobicContact CG2-CD1 4.29Å; V467-Y561 HydrophobicContact CG2-CE1 4.46Å; N559-Y561 PolarHBondContact O-N 2.94Å; N559-Y561 VanDerWaalsContact O-N 3.15Å; Y561-I572 PolarHBondContact N-O 3.38Å
562	G	75.1	Confident	69.8	Low	6 Å²	6	68.3 Å²	68.3	6%	0.062	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.2	-166.7	179.7	0	0	0	0	0	114.4	I465 I572	I465-G562 CarbonylContact O-C 3.41Å; I465-G562 WeakPolarHBondContact O-CA 3.24Å; G562-I572 PolarHBondContact N-O 3.18Å; G562-I572 PolarHBondContact O-N 3.04Å
563	I	75.3	Confident	71.2	Confident	37 Å²	37	61.2 Å²	61.2	19%	0.19	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.4	175.1	-65.9	177.4	0	0	0	107.5	N464 I465 V467	N464-I563 HydrophobicContact CB-CD1 4.28Å; N464-I563 WeakPolarHBondContact ND2-CD1 3.43Å; I465-I563 PolarHBondContact O-N 3.31Å; I465-I563 VanDerWaalsContact O-N 3.15Å; V467-I563 PolarHBondContact N-O 2.86Å
564	I	74	Confident	72	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.015	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	128.6	177.3	-59.2	-179.7	0	0	0	109.8	A469 N566 W567 I570 I572 V583 I644 A647 L721	A469-I564 HydrophobicContact CB-CG2 3.76Å; I564-N566 PolarHBondContact O-N 3.31Å; I564-W567 HydrophobicContact CB-CB 3.98Å; I564-W567 HydrophobicContact CG2-CB 4Å; I564-W567 HydrophobicContact CG2-CG 4.36Å; I564-W567 CarbonylContact O-C 3.56Å; I564-W567 WeakPolarHBondContact O-CA 3.29Å; I564-W567 PolarHBondContact O-N 2.89Å; I564-I570 HydrophobicContact CD1-CB 4.36Å; I564-I570 HydrophobicContact CD1-CG2 3.78Å; I564-I570 HydrophobicContact CG1-CG2 4.38Å; I564-I570 PolarHBondContact N-O 3.36Å; I564-I572 HydrophobicContact CG1-CD1 3.92Å; I564-I572 HydrophobicContact CG1-CG1 4.19Å; I564-V583 HydrophobicContact CD1-CG2 4.34Å; I564-I644 HydrophobicContact CD1-CD1 4.49Å; I564-A647 HydrophobicContact CD1-CB 4.31Å; I564-L721 HydrophobicContact CD1-CD2 3.97Å; I564-L721 HydrophobicContact CG2-CD2 4.37Å
565	D	67.2	Low	72.3	Confident	52 Å²	52	57.3 Å²	57.3	28%	0.278	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	136.3	178.2	-74.8	0.7	0	0	0	112	A466 V467 S468 W567	A466-D565 WeakPolarHBondContact CB-OD1 3.46Å; V467-D565 PolarHBondContact O-N 3.29Å; V467-D565 VanDerWaalsContact O-N 3.13Å; S468-D565 VanDerWaalsContact CA-CG 3.47Å; S468-D565 WeakPolarHBondContact CA-OD2 3.47Å; S468-D565 VanDerWaalsContact CB-OD2 3.24Å; S468-D565 WeakPolarHBondContact CB-OD2 3.39Å; S468-D565 PolarHBondContact OG-OD2 3.45Å; D565-W567 PolarHBondContact O-N 2.8Å; D565-W567 VanDerWaalsContact O-N 3.15Å
566	N	70	Confident	72.4	Confident	137 Å²	137	57.1 Å²	57.1	73%	0.733	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	7.7	-173	-59.3	-34.8	0	0	0	116	I564 K734	I564-N566 PolarHBondContact O-N 3.31Å; N566-K734 PolarHBondContact O-NZ 3.35Å
567	W	76.4	Confident	72.5	Confident	7 Å²	7	57 Å²	57	3%	0.027	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	55.8	-177.1	-72.6	91.2	0	0	0	111.3	I564 D565 E569 I570 I595 H719 L721 I732 K734	I564-W567 HydrophobicContact CB-CB 3.98Å; I564-W567 HydrophobicContact CG2-CB 4Å; I564-W567 HydrophobicContact CG2-CG 4.36Å; I564-W567 CarbonylContact O-C 3.56Å; I564-W567 WeakPolarHBondContact O-CA 3.29Å; I564-W567 PolarHBondContact O-N 2.89Å; D565-W567 PolarHBondContact O-N 2.8Å; D565-W567 VanDerWaalsContact O-N 3.15Å; W567-E569 PolarHBondContact O-N 3.05Å; W567-I570 HydrophobicContact CB-CB 4.5Å; W567-I570 HydrophobicContact CB-CD1 4.11Å; W567-I570 HydrophobicContact CB-CG1 4.29Å; W567-I570 HydrophobicContact CD2-CD1 4.16Å; W567-I570 HydrophobicContact CE3-CD1 3.57Å; W567-I570 HydrophobicContact CE3-CG1 4.39Å; W567-I570 HydrophobicContact CG-CD1 4.42Å; W567-I570 HydrophobicContact CZ3-CD1 4.26Å; W567-I570 WeakPolarHBondContact O-CB 3.32Å; W567-I570 PolarHBondContact O-N 3.23Å; W567-I595 HydrophobicContact CE3-CG2 4Å; W567-I595 HydrophobicContact CZ3-CG2 3.74Å; W567-H719 WeakPolarHBondContact CH2-O 3.42Å; W567-H719 VanDerWaalsContact CZ2-O 3.29Å; W567-H719 WeakPolarHBondContact CZ2-O 3.15Å; W567-L721 HydrophobicContact CD2-CB 4.25Å; W567-L721 HydrophobicContact CD2-CD2 4.01Å; W567-L721 HydrophobicContact CE3-CD2 4.43Å; W567-L721 HydrophobicContact CG-CD2 4.12Å; W567-L721 HydrophobicContact CH2-CB 3.84Å; W567-L721 HydrophobicContact CZ2-CB 3.41Å; W567-L721 VanDerWaalsContact CZ2-CB 3.41Å; W567-L721 HydrophobicContact CZ3-CB 4.45Å; W567-I732 HydrophobicContact CH2-CG2 4.24Å; W567-I732 WeakPolarHBondContact CH2-O 3.35Å; W567-I732 HydrophobicContact CZ3-CB 4.37Å; W567-I732 HydrophobicContact CZ3-CG2 3.72Å; W567-K734 VanDerWaalsContact CE2-CE 3.49Å; W567-K734 HydrophobicContact CE3-CG 4.25Å; W567-K734 HydrophobicContact CH2-CD 4.23Å; W567-K734 HydrophobicContact CH2-CG 3.43Å; W567-K734 VanDerWaalsContact CH2-CG 3.43Å; W567-K734 HydrophobicContact CZ2-CD 4.29Å; W567-K734 HydrophobicContact CZ2-CG 3.97Å; W567-K734 HydrophobicContact CZ3-CD 4.4Å; W567-K734 HydrophobicContact CZ3-CG 3.57Å
568	N	70.6	Confident	72.5	Confident	131 Å²	131	55.7 Å²	55.7	70%	0.701	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.4	-17.9	-170.9	-66.7	-11.8	0	0	0	116.1	I570	N568-I570 VanDerWaalsContact C-N 3.31Å
569	E	72.6	Confident	72.3	Confident	85 Å²	85	59 Å²	59	40%	0.397	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-13.2	175.1	-75.4	157.3	-107.9	0	0	113.7	W567 K594	W567-E569 PolarHBondContact O-N 3.05Å; E569-K594 WeakPolarHBondContact OE1-CB 3.4Å; E569-K594 WeakPolarHBondContact OE1-CD 3.18Å; E569-K594 VanDerWaalsContact OE2-CB 3.27Å; E569-K594 WeakPolarHBondContact OE2-CB 3.27Å; E569-K594 PolarHBondContact OE2-N 3.36Å
570	I	78.8	Confident	72.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	98.2	-173.1	-51.4	-173.7	0	0	0	109.6	I564 W567 N568 V583 I595 L721 I732	I564-I570 HydrophobicContact CD1-CB 4.36Å; I564-I570 HydrophobicContact CD1-CG2 3.78Å; I564-I570 HydrophobicContact CG1-CG2 4.38Å; I564-I570 PolarHBondContact N-O 3.36Å; W567-I570 HydrophobicContact CB-CB 4.5Å; W567-I570 HydrophobicContact CB-CD1 4.11Å; W567-I570 HydrophobicContact CB-CG1 4.29Å; W567-I570 HydrophobicContact CD2-CD1 4.16Å; W567-I570 HydrophobicContact CE3-CD1 3.57Å; W567-I570 HydrophobicContact CE3-CG1 4.39Å; W567-I570 HydrophobicContact CG-CD1 4.42Å; W567-I570 HydrophobicContact CZ3-CD1 4.26Å; W567-I570 WeakPolarHBondContact O-CB 3.32Å; W567-I570 PolarHBondContact O-N 3.23Å; N568-I570 VanDerWaalsContact C-N 3.31Å; I570-V583 HydrophobicContact CG2-CB 4.32Å; I570-V583 HydrophobicContact CG2-CG1 3.32Å; I570-V583 HydrophobicContact CG2-CG2 4.11Å; I570-I595 HydrophobicContact CD1-CD1 4.31Å; I570-I595 HydrophobicContact CG1-CD1 3.99Å; I570-L721 HydrophobicContact CD1-CD2 3.79Å; I570-I732 HydrophobicContact CD1-CD1 3.79Å; I570-I732 HydrophobicContact CD1-CG2 4.31Å
571	S	79.1	Confident	72.4	Confident	38 Å²	38	55.7 Å²	55.7	27%	0.266	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	134.5	174.9	63.8	0	0	0	0	112.1	V584	S571-V584 PolarHBondContact O-N 2.94Å; S571-V584 WeakPolarHBondContact OG-CB 3.33Å; S571-V584 WeakPolarHBondContact OG-CG2 3.33Å
572	I	79	Confident	73.1	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	129.9	170.7	-54.5	174.6	0	0	0	109.1	V467 Y561 G562 I564 E581 Y582 V583 I644	V467-I572 HydrophobicContact CB-CD1 4.3Å; V467-I572 HydrophobicContact CG1-CD1 4.41Å; V467-I572 HydrophobicContact CG2-CD1 4.45Å; Y561-I572 PolarHBondContact N-O 3.38Å; G562-I572 PolarHBondContact N-O 3.18Å; G562-I572 PolarHBondContact O-N 3.04Å; I564-I572 HydrophobicContact CG1-CD1 3.92Å; I564-I572 HydrophobicContact CG1-CG1 4.19Å; I572-E581 HydrophobicContact CG2-CB 4.08Å; I572-E581 HydrophobicContact CG2-CG 4.43Å; I572-Y582 CarbonylContact C-O 3.51Å; I572-Y582 WeakPolarHBondContact CA-O 3.49Å; I572-V583 HydrophobicContact CG1-CG2 4.16Å; I572-I644 HydrophobicContact CD1-CD1 4.39Å; I572-I644 HydrophobicContact CG2-CG2 4.37Å
573	V	79	Confident	73.3	Confident	1 Å²	1	52 Å²	52	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145.2	175.9	-65.3	0	0	0	0	110.3	F553 W558 N559 K560 Y582 V584 L641	F553-V573 HydrophobicContact CZ-CG2 4.29Å; W558-V573 HydrophobicContact CB-CB 4.29Å; W558-V573 HydrophobicContact CD2-CG2 4.48Å; W558-V573 HydrophobicContact CE3-CB 4.02Å; W558-V573 HydrophobicContact CE3-CG2 3.58Å; W558-V573 HydrophobicContact CZ3-CG2 4.06Å; N559-V573 CarbonylContact O-C 3.6Å; N559-V573 WeakPolarHBondContact O-CA 3.08Å; K560-V573 HydrophobicContact CG-CG1 4.39Å; V573-Y582 WeakPolarHBondContact CG2-O 3.22Å; V573-Y582 PolarHBondContact N-O 3.04Å; V573-Y582 PolarHBondContact O-N 3.28Å; V573-V584 HydrophobicContact CB-CG2 4.26Å; V573-V584 HydrophobicContact CG1-CG2 3.67Å; V573-V584 HydrophobicContact CG2-CG2 3.55Å; V573-L641 HydrophobicContact CG2-CD2 3.96Å
574	C	74.2	Confident	73.5	Confident	13 Å²	13	50.4 Å²	50.4	9%	0.088	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.5	174.7	-175.1	0	0	0	0	110.2	N559 T578	N559-C574 HydrophobicContact CB-CB 4.35Å; N559-C574 PolarHBondContact N-O 2.78Å; N559-C574 PolarHBondContact O-N 3.27Å; C574-T578 PolarHBondContact SG-O 3.03Å
575	A	69.3	Low	73.7	Confident	11 Å²	11	50.3 Å²	50.3	9%	0.091	27%	0.266	C	S	.	.			trans	-71.3	138.3	-178.6	0	0	0	0	0	111.4	W558 N577 T578 Y580 Y582	W558-A575 HydrophobicContact CE3-CB 4.06Å; W558-A575 HydrophobicContact CH2-CB 3.55Å; W558-A575 HydrophobicContact CZ2-CB 4.16Å; W558-A575 HydrophobicContact CZ3-CB 3.5Å; A575-N577 PolarHBondContact O-N 3.26Å; A575-T578 WeakPolarHBondContact CB-OG1 3.31Å; A575-T578 PolarHBondContact O-N 3.16Å; A575-T578 VanDerWaalsContact O-N 3.08Å; A575-T578 PolarHBondContact O-OG1 3.03Å; A575-Y580 PolarHBondContact N-O 3.11Å; A575-Y582 HydrophobicContact CB-CD2 4.26Å; A575-Y582 HydrophobicContact CB-CE2 3.82Å
576	P	65.3	Low	73.9	Confident	49 Å²	49	51 Å²	51	32%	0.318	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	135.7	-174.8	24.7	-36.3	0	0	0	111.9	V557 T578	V557-P576 HydrophobicContact CG1-CB 4.21Å; V557-P576 HydrophobicContact CG1-CG 4.08Å; P576-T578 PolarHBondContact O-N 2.81Å
577	N	65.5	Low	73.7	Confident	176 Å²	176	47 Å²	47	94%	0.941	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	15.9	-177.3	-52.3	-38	0	0	0	115.7	A575	A575-N577 PolarHBondContact O-N 3.26Å
578	T	67.2	Low	72.6	Confident	54 Å²	54	48.1 Å²	48.1	33%	0.331	26%	0.261	S	S	.	.	S	Bend	trans	-126.6	170.5	173.5	77.7	0	0	0	0	111.1	C574 A575 P576 Y580	C574-T578 PolarHBondContact SG-O 3.03Å; A575-T578 WeakPolarHBondContact CB-OG1 3.31Å; A575-T578 PolarHBondContact O-N 3.16Å; A575-T578 VanDerWaalsContact O-N 3.08Å; A575-T578 PolarHBondContact O-OG1 3.03Å; P576-T578 PolarHBondContact O-N 2.81Å; T578-Y580 HydrophobicContact CG2-CD2 4.32Å; T578-Y580 PolarHBondContact OG1-N 2.93Å
579	N	68.2	Low	71.8	Confident	113 Å²	113	49.6 Å²	49.6	60%	0.604	26%	0.261	S	S	*	.			trans	-102	13.5	168.7	-62.5	-25.9	0	0	0	111.9	E581	N579-E581 PolarHBondContact O-N 3.07Å
580	Y	69.3	Low	70.9	Confident	113 Å²	113	49.4 Å²	49.4	44%	0.443	26%	0.26	S	S	.	.			trans	-82.9	116.9	-177.5	-69.3	-63.3	0	0	0	110.6	E542 A575 T578 Y582	E542-Y580 HydrophobicContact CG-CE1 4.29Å; A575-Y580 PolarHBondContact N-O 3.11Å; T578-Y580 HydrophobicContact CG2-CD2 4.32Å; T578-Y580 PolarHBondContact OG1-N 2.93Å; Y580-Y582 VanDerWaalsContact O-CD2 3.25Å; Y580-Y582 WeakPolarHBondContact O-CD2 3.43Å; Y580-Y582 WeakPolarHBondContact O-CE2 3.44Å
581	E	77.8	Confident	69.6	Low	59 Å²	59	54.1 Å²	54.1	28%	0.276	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	139	174.4	-65.4	180	-168.9	0	0	110.7	I572 N579 I644	I572-E581 HydrophobicContact CG2-CB 4.08Å; I572-E581 HydrophobicContact CG2-CG 4.43Å; N579-E581 PolarHBondContact O-N 3.07Å; E581-I644 HydrophobicContact CB-CG2 3.57Å; E581-I644 WeakPolarHBondContact O-CG2 3.35Å; E581-I644 PolarHBondContact O-N 2.85Å
582	Y	80	Confident	68.3	Low	10 Å²	10	55.9 Å²	55.9	4%	0.039	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	139.5	178.4	-64.3	-96.1	0	0	0	110.1	G541 W558 I572 V573 A575 Y580 L641 H642	G541-Y582 WeakPolarHBondContact CA-OH 3.44Å; G541-Y582 PolarHBondContact N-OH 2.84Å; W558-Y582 HydrophobicContact CH2-CD2 4.15Å; W558-Y582 HydrophobicContact CH2-CE2 4.33Å; W558-Y582 AromaticContact CZ3-CD2 3.61Å; W558-Y582 HydrophobicContact CZ3-CD2 3.61Å; W558-Y582 HydrophobicContact CZ3-CE2 4.16Å; W558-Y582 HydrophobicContact CZ3-CG 4.09Å; I572-Y582 CarbonylContact C-O 3.51Å; I572-Y582 WeakPolarHBondContact CA-O 3.49Å; V573-Y582 WeakPolarHBondContact CG2-O 3.22Å; V573-Y582 PolarHBondContact N-O 3.04Å; V573-Y582 PolarHBondContact O-N 3.28Å; A575-Y582 HydrophobicContact CB-CD2 4.26Å; A575-Y582 HydrophobicContact CB-CE2 3.82Å; Y580-Y582 VanDerWaalsContact O-CD2 3.25Å; Y580-Y582 WeakPolarHBondContact O-CD2 3.43Å; Y580-Y582 WeakPolarHBondContact O-CE2 3.44Å; Y582-L641 HydrophobicContact CD1-CB 4.19Å; Y582-H642 CarbonylContact C-O 3.59Å; Y582-H642 VanDerWaalsContact CA-O 3.25Å; Y582-H642 WeakPolarHBondContact CA-O 3.38Å
583	V	81.2	Confident	67.4	Low	0 Å²	0	57 Å²	57	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	126.4	169.3	159.7	0	0	0	0	109.3	I564 I570 I572 L585 L641 H642 I644 I723	I564-V583 HydrophobicContact CD1-CG2 4.34Å; I570-V583 HydrophobicContact CG2-CB 4.32Å; I570-V583 HydrophobicContact CG2-CG1 3.32Å; I570-V583 HydrophobicContact CG2-CG2 4.11Å; I572-V583 HydrophobicContact CG1-CG2 4.16Å; V583-L585 HydrophobicContact CG1-CD2 3.68Å; V583-L585 HydrophobicContact CG1-CG 4.1Å; V583-L641 WeakPolarHBondContact O-CA 3.25Å; V583-H642 PolarHBondContact N-O 3.48Å; V583-H642 PolarHBondContact O-N 3.49Å; V583-I644 HydrophobicContact CG2-CB 4.15Å; V583-I644 HydrophobicContact CG2-CD1 3.91Å; V583-I644 HydrophobicContact CG2-CG2 4.12Å; V583-I723 HydrophobicContact CB-CD1 4.16Å; V583-I723 HydrophobicContact CG1-CD1 3.94Å; V583-I723 HydrophobicContact CG2-CD1 3.92Å
584	V	78.9	Confident	67.1	Low	5 Å²	5	61.9 Å²	61.9	3%	0.03	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	115.3	171.6	-167.1	0	0	0	0	109.2	F553 S571 V573 K639 L641	F553-V584 HydrophobicContact CE1-CG1 4.2Å; F553-V584 HydrophobicContact CE1-CG2 4.34Å; F553-V584 HydrophobicContact CZ-CG2 4.18Å; S571-V584 PolarHBondContact O-N 2.94Å; S571-V584 WeakPolarHBondContact OG-CB 3.33Å; S571-V584 WeakPolarHBondContact OG-CG2 3.33Å; V573-V584 HydrophobicContact CB-CG2 4.26Å; V573-V584 HydrophobicContact CG1-CG2 3.67Å; V573-V584 HydrophobicContact CG2-CG2 3.55Å; V584-K639 HydrophobicContact CG1-CB 4.16Å; V584-K639 HydrophobicContact CG1-CD 4.25Å; V584-K639 HydrophobicContact CG1-CG 4.19Å; V584-L641 HydrophobicContact CB-CD2 4.22Å; V584-L641 HydrophobicContact CG1-CD2 4.3Å; V584-L641 HydrophobicContact CG2-CD2 3.74Å
585	L	77.2	Confident	67.4	Low	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134	168.6	-52.9	170.2	0	0	0	107.9	V547 V583 F597 L640 H642 L730 I732	V547-L585 HydrophobicContact CG1-CD1 4.24Å; V583-L585 HydrophobicContact CG1-CD2 3.68Å; V583-L585 HydrophobicContact CG1-CG 4.1Å; L585-F597 HydrophobicContact CB-CE1 3.95Å; L585-F597 HydrophobicContact CB-CE2 4.25Å; L585-F597 HydrophobicContact CB-CZ 3.69Å; L585-F597 HydrophobicContact CD1-CD2 3.91Å; L585-F597 HydrophobicContact CD1-CE1 4.44Å; L585-F597 HydrophobicContact CD1-CE2 3.76Å; L585-F597 HydrophobicContact CD1-CG 4.33Å; L585-F597 HydrophobicContact CD1-CZ 4.04Å; L585-F597 HydrophobicContact CD2-CD1 4.38Å; L585-F597 HydrophobicContact CD2-CE1 4.39Å; L585-F597 HydrophobicContact CG-CE1 4.49Å; L585-F597 HydrophobicContact CG-CZ 4.35Å; L585-L640 HydrophobicContact CB-CB 4.07Å; L585-L640 WeakPolarHBondContact CB-O 3.38Å; L585-L640 PolarHBondContact N-O 3.03Å; L585-L640 WeakPolarHBondContact O-CB 3.36Å; L585-L640 PolarHBondContact O-N 3.31Å; L585-H642 HydrophobicContact CD1-CB 4.27Å; L585-L730 HydrophobicContact CD1-CD2 3.69Å; L585-I732 HydrophobicContact CD2-CD1 3.85Å
586	N	71.7	Confident	68	Low	66 Å²	66	62.5 Å²	62.5	35%	0.353	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	137.7	169.1	-67.9	-50.1	0	0	0	108.7	Q593 K639	N586-Q593 PolarHBondContact O-NE2 2.73Å; N586-Q593 PolarHBondContact O-OE1 2.95Å; N586-K639 VanDerWaalsContact OD1-CE 3.25Å; N586-K639 WeakPolarHBondContact OD1-CE 3.45Å; N586-K639 WeakPolarHBondContact OD1-CG 3.22Å
587	T	65.7	Low	68.8	Low	53 Å²	53	61.1 Å²	61.1	33%	0.325	32%	0.324	S	S	.	.			trans	-107.6	9.2	163.9	76.8	0	0	0	0	113.2	K589 F597 N638 L640	T587-K589 PolarHBondContact O-N 2.73Å; T587-F597 HydrophobicContact CG2-CZ 4.22Å; T587-N638 PolarHBondContact N-O 3.17Å; T587-N638 WeakPolarHBondContact OG1-CB 3.27Å; T587-N638 PolarHBondContact OG1-O 3.41Å; T587-N638 VanDerWaalsContact OG1-O 3.1Å; T587-L640 HydrophobicContact CG2-CB 4.13Å; T587-L640 HydrophobicContact CG2-CD1 3.26Å; T587-L640 HydrophobicContact CG2-CG 3.52Å
588	A	54.4	Low	69.6	Low	31 Å²	31	53 Å²	53	26%	0.256	28%	0.282	S	S	.	.	S	Bend	trans	-67.2	123.1	178.2	0	0	0	0	0	110.3	Q593 D637	A588-Q593 PolarHBondContact O-NE2 3.47Å; A588-D637 HydrophobicContact CB-CB 4.19Å; A588-D637 WeakPolarHBondContact CB-OD1 3.44Å
589	K	53.6	Low	70	Confident	162 Å²	162	55.1 Å²	55.1	70%	0.704	29%	0.294	S	S	*	.			trans	46.3	83.2	176.3	-63.4	-179.9	-177.6	175.4	0	114	T587 S591 A592	T587-K589 PolarHBondContact O-N 2.73Å; K589-S591 PolarHBondContact O-N 3.1Å; K589-A592 HydrophobicContact CB-CB 4.26Å; K589-A592 PolarHBondContact O-N 3.22Å
590	E	53.2	Low	70.6	Confident	82 Å²	82	51 Å²	51	38%	0.383	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-37.6	-30.8	171.6	-85.1	-167.4	-128.9	0	0	115.7	R596 K707	E590-R596 PolarHBondContact O-NE 3.48Å; E590-R596 PolarHBondContact O-NH2 3.34Å; E590-R596 IonicContact OE2-CZ 3.52Å; E590-R596 IonicContact OE2-NH1 2.74Å; E590-R596 PolarHBondContact OE2-NH1 2.73Å; E590-R596 IonicContact OE2-NH2 2.89Å; E590-K707 IonicContact OE1-NZ 2.73Å
591	S	50.9	Low	71.1	Confident	98 Å²	98	45.7 Å²	45.7	69%	0.685	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-8.7	-179.7	65.3	0	0	0	0	116	K589	K589-S591 PolarHBondContact O-N 3.1Å
592	A	51.9	Low	71.4	Confident	76 Å²	76	43 Å²	43	63%	0.628	24%	0.238	S	C	*	.	S	Bend	trans	-117.2	0.5	-171.9	0	0	0	0	0	114	K589	K589-A592 HydrophobicContact CB-CB 4.26Å; K589-A592 PolarHBondContact O-N 3.22Å
593	Q	61.5	Low	71.5	Confident	25 Å²	25	43.1 Å²	43.1	12%	0.117	24%	0.239	C	C	.	.			trans	-87.9	141.2	179.7	-53.9	-171.3	-15.8	0	0	109.7	N586 A588 I595 Q735	N586-Q593 PolarHBondContact O-NE2 2.73Å; N586-Q593 PolarHBondContact O-OE1 2.95Å; A588-Q593 PolarHBondContact O-NE2 3.47Å; Q593-I595 VanDerWaalsContact C-N 3.27Å; Q593-Q735 PolarHBondContact O-OE1 2.65Å
594	K	71.7	Confident	71.5	Confident	103 Å²	103	47.4 Å²	47.4	45%	0.448	26%	0.258	S	S	.	.	S	Bend	trans	-88.3	1.3	171.3	-43.1	-174.7	169.1	-167	0	112.5	E569 K734 Q735 E737	E569-K594 WeakPolarHBondContact OE1-CB 3.4Å; E569-K594 WeakPolarHBondContact OE1-CD 3.18Å; E569-K594 VanDerWaalsContact OE2-CB 3.27Å; E569-K594 WeakPolarHBondContact OE2-CB 3.27Å; E569-K594 PolarHBondContact OE2-N 3.36Å; K594-K734 CarbonylContact O-C 3.55Å; K594-K734 WeakPolarHBondContact O-CA 3.39Å; K594-Q735 PolarHBondContact O-N 3.04Å; K594-E737 IonicContact NZ-OE1 2.73Å; K594-E737 PolarHBondContact NZ-OE1 3.14Å
595	I	80.2	Confident	71.9	Confident	12 Å²	12	47.1 Å²	47.1	6%	0.062	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	148	176.5	64.3	173.6	0	0	0	111.2	W567 I570 Q593 I732 F733	W567-I595 HydrophobicContact CE3-CG2 4Å; W567-I595 HydrophobicContact CZ3-CG2 3.74Å; I570-I595 HydrophobicContact CD1-CD1 4.31Å; I570-I595 HydrophobicContact CG1-CD1 3.99Å; Q593-I595 VanDerWaalsContact C-N 3.27Å; I595-I732 HydrophobicContact CB-CG2 3.95Å; I595-I732 HydrophobicContact CD1-CG2 4.4Å; I595-I732 HydrophobicContact CG2-CG2 4.39Å; I595-F733 CarbonylContact C-O 3.56Å; I595-F733 VanDerWaalsContact CA-O 3.31Å; I595-F733 WeakPolarHBondContact CA-O 3.49Å
596	R	81.4	Confident	72.4	Confident	25 Å²	25	47.1 Å²	47.1	9%	0.094	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.1	171.5	-77.3	-67.3	-169	139.2	2.3	109.9	E590 D708 L713 F733	E590-R596 PolarHBondContact O-NE 3.48Å; E590-R596 PolarHBondContact O-NH2 3.34Å; E590-R596 IonicContact OE2-CZ 3.52Å; E590-R596 IonicContact OE2-NH1 2.74Å; E590-R596 PolarHBondContact OE2-NH1 2.73Å; E590-R596 IonicContact OE2-NH2 2.89Å; R596-D708 IonicContact CZ-OD2 3.47Å; R596-D708 IonicContact NH2-OD2 3.37Å; R596-D708 PolarHBondContact NH2-OD2 3.17Å; R596-L713 HydrophobicContact CB-CD2 3.81Å; R596-L713 HydrophobicContact CG-CD2 3.94Å; R596-F733 PolarHBondContact N-O 3.46Å; R596-F733 PolarHBondContact O-N 3.03Å
597	F	83	Confident	73	Confident	20 Å²	20	45.3 Å²	45.3	9%	0.088	25%	0.247	C	C	.	.			trans	-149.2	152.5	-176.4	58.4	-91.6	0	0	0	110	L585 T587 L640 C704 L730 I732	L585-F597 HydrophobicContact CB-CE1 3.95Å; L585-F597 HydrophobicContact CB-CE2 4.25Å; L585-F597 HydrophobicContact CB-CZ 3.69Å; L585-F597 HydrophobicContact CD1-CD2 3.91Å; L585-F597 HydrophobicContact CD1-CE1 4.44Å; L585-F597 HydrophobicContact CD1-CE2 3.76Å; L585-F597 HydrophobicContact CD1-CG 4.33Å; L585-F597 HydrophobicContact CD1-CZ 4.04Å; L585-F597 HydrophobicContact CD2-CD1 4.38Å; L585-F597 HydrophobicContact CD2-CE1 4.39Å; L585-F597 HydrophobicContact CG-CE1 4.49Å; L585-F597 HydrophobicContact CG-CZ 4.35Å; T587-F597 HydrophobicContact CG2-CZ 4.22Å; F597-L640 HydrophobicContact CE2-CD1 4.35Å; F597-C704 VanDerWaalsContact C-SG 3.54Å; F597-L730 HydrophobicContact CB-CD1 4.24Å; F597-I732 HydrophobicContact CB-CG1 4.1Å
598	P	81.8	Confident	73.8	Confident	7 Å²	7	43.5 Å²	43.5	5%	0.045	24%	0.236	C	C	.	.			trans	-66.7	141.7	179.8	28.7	-35	0	0	0	110.9	K600 L605 E703 L730 T731	P598-K600 VanDerWaalsContact C-N 3.32Å; P598-L605 HydrophobicContact CB-CD1 4.09Å; P598-E703 VanDerWaalsContact CA-OE2 3.24Å; P598-E703 WeakPolarHBondContact CA-OE2 3.41Å; P598-E703 WeakPolarHBondContact CB-OE2 3.22Å; P598-L730 HydrophobicContact CG-CD1 3.87Å; P598-T731 WeakPolarHBondContact CD-O 3.29Å
599	T	76.2	Confident	75.4	Confident	98 Å²	98	42.1 Å²	42.1	60%	0.601	22%	0.224	S	C	*	.	S	Bend	trans	-88.1	-4.9	175.8	71.4	0	0	0	0	112.6	F546 E703	F546-T599 VanDerWaalsContact CE1-O 3.28Å; F546-T599 WeakPolarHBondContact CE1-O 3.31Å; F546-T599 WeakPolarHBondContact CZ-O 3.36Å; T599-E703 PolarHBondContact N-OE2 3.49Å; T599-E703 PolarHBondContact OG1-OE1 3.49Å
600	K	80	Confident	76.8	Confident	25 Å²	25	35.1 Å²	35.1	11%	0.109	19%	0.194	C	C	.	.	S	Bend	trans	-118.6	141.8	178.9	-64.7	177.2	-158.1	107.6	0	110.1	P598 K604 L605 T615 E703	P598-K600 VanDerWaalsContact C-N 3.32Å; K600-K604 HydrophobicContact CB-CB 4.32Å; K600-K604 HydrophobicContact CB-CD 4.31Å; K600-K604 HydrophobicContact CB-CG 4.38Å; K600-K604 HydrophobicContact CD-CD 4.23Å; K600-K604 HydrophobicContact CD-CG 4.21Å; K600-K604 HydrophobicContact CG-CD 4.05Å; K600-K604 HydrophobicContact CG-CG 4.39Å; K600-L605 HydrophobicContact CB-CD2 3.84Å; K600-L605 HydrophobicContact CB-CG 3.79Å; K600-L605 HydrophobicContact CD-CD2 4.07Å; K600-T615 PolarHBondContact NZ-O 3Å; K600-E703 WeakPolarHBondContact CD-OE1 3.49Å; K600-E703 VanDerWaalsContact CE-OE1 3.3Å; K600-E703 WeakPolarHBondContact CE-OE1 3.42Å; K600-E703 VanDerWaalsContact CG-OE1 3.28Å; K600-E703 WeakPolarHBondContact CG-OE1 3.29Å; K600-E703 PolarHBondContact N-OE2 2.97Å; K600-E703 IonicContact NZ-OE1 3.55Å; K600-E703 PolarHBondContact NZ-OE1 3.38Å
601	T	79.8	Confident	78.2	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.012	21%	0.205	C	C	.	.			trans	-58.4	151.8	167	39.2	0	0	0	0	110.5	R535 T545 F546 D603 K604 L605	R535-T601 PolarHBondContact NH2-OG1 3.35Å; T545-T601 WeakPolarHBondContact O-CG2 3.44Å; F546-T601 HydrophobicContact CD2-CG2 3.67Å; F546-T601 HydrophobicContact CE2-CG2 3.36Å; F546-T601 VanDerWaalsContact CE2-N 3.31Å; F546-T601 HydrophobicContact CZ-CG2 4.22Å; F546-T601 VanDerWaalsContact CZ-N 3.34Å; T601-D603 PolarHBondContact O-N 3.1Å; T601-D603 VanDerWaalsContact O-N 3.17Å; T601-K604 WeakPolarHBondContact O-CA 3.5Å; T601-K604 PolarHBondContact O-N 2.96Å; T601-K604 WeakPolarHBondContact OG1-CB 3.14Å; T601-L605 PolarHBondContact O-N 2.97Å
602	I	84.3	Confident	79.5	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-49.1	-44.2	172.2	-166.3	-177.3	0	0	0	112.3	K604 L605 L606 N696 L699 N728 W809	I602-K604 VanDerWaalsContact C-N 3.26Å; I602-K604 PolarHBondContact O-N 3.33Å; I602-L605 PolarHBondContact O-N 3.31Å; I602-L606 VanDerWaalsContact O-CB 3.27Å; I602-L606 WeakPolarHBondContact O-CB 3.26Å; I602-L606 PolarHBondContact O-N 3.04Å; I602-N696 WeakPolarHBondContact CB-OD1 3.47Å; I602-N696 HydrophobicContact CD1-CB 3.55Å; I602-N696 VanDerWaalsContact CD1-OD1 3.32Å; I602-N696 WeakPolarHBondContact CD1-OD1 3.35Å; I602-N696 HydrophobicContact CG1-CB 4.31Å; I602-N696 VanDerWaalsContact CG1-OD1 3.26Å; I602-N696 WeakPolarHBondContact CG1-OD1 3.39Å; I602-L699 HydrophobicContact CG1-CD1 4.5Å; I602-N728 PolarHBondContact N-OD1 3.17Å; I602-W809 HydrophobicContact CD1-CE3 3.5Å; I602-W809 VanDerWaalsContact CD1-CE3 3.5Å; I602-W809 HydrophobicContact CD1-CH2 4.4Å; I602-W809 HydrophobicContact CD1-CZ3 3.38Å; I602-W809 HydrophobicContact CG2-CB 4.03Å; I602-W809 HydrophobicContact CG2-CD2 4.36Å; I602-W809 HydrophobicContact CG2-CE3 4Å; I602-W809 HydrophobicContact CG2-CG 4.41Å
603	D	82.5	Confident	80.9	Confident	14 Å²	14	35.5 Å²	35.5	8%	0.075	18%	0.178	C	C	.	.	H	α-helix	trans	-51.4	-42.1	175	168.6	74.6	0	0	0	113.4	R535 T601 T607 R816	R535-D603 IonicContact CZ-OD2 3.51Å; R535-D603 IonicContact NH1-OD2 3.25Å; R535-D603 PolarHBondContact NH1-OD2 3.16Å; T601-D603 PolarHBondContact O-N 3.1Å; T601-D603 VanDerWaalsContact O-N 3.17Å; D603-T607 WeakPolarHBondContact O-CB 3.31Å; D603-T607 PolarHBondContact O-N 2.92Å; D603-T607 PolarHBondContact O-OG1 3.06Å; D603-R816 IonicContact OD1-CZ 3.79Å; D603-R816 IonicContact OD1-NE 3.52Å; D603-R816 PolarHBondContact OD1-NE 2.95Å; D603-R816 IonicContact OD1-NH2 2.76Å; D603-R816 PolarHBondContact OD1-NH2 3.34Å; D603-R816 IonicContact OD2-NH2 3.55Å; D603-R816 PolarHBondContact OD2-NH2 3.36Å
604	K	82.1	Confident	81.6	Confident	89 Å²	89	36.8 Å²	36.8	39%	0.387	19%	0.188	S	C	.	.	H	α-helix	trans	-83.4	-33.3	-177.6	-176	175.1	178.1	179.8	0	111.9	K600 T601 I602 N608	K600-K604 HydrophobicContact CB-CB 4.32Å; K600-K604 HydrophobicContact CB-CD 4.31Å; K600-K604 HydrophobicContact CB-CG 4.38Å; K600-K604 HydrophobicContact CD-CD 4.23Å; K600-K604 HydrophobicContact CD-CG 4.21Å; K600-K604 HydrophobicContact CG-CD 4.05Å; K600-K604 HydrophobicContact CG-CG 4.39Å; T601-K604 WeakPolarHBondContact O-CA 3.5Å; T601-K604 PolarHBondContact O-N 2.96Å; T601-K604 WeakPolarHBondContact OG1-CB 3.14Å; I602-K604 VanDerWaalsContact C-N 3.26Å; I602-K604 PolarHBondContact O-N 3.33Å; K604-N608 PolarHBondContact O-N 3Å; K604-N608 PolarHBondContact O-ND2 3.34Å
605	L	86.1	Confident	81.5	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64	-49.9	171.8	-70.2	170.7	0	0	0	110.6	P598 K600 T601 I602 T607 N608 W609 T615 L699 E703	P598-L605 HydrophobicContact CB-CD1 4.09Å; K600-L605 HydrophobicContact CB-CD2 3.84Å; K600-L605 HydrophobicContact CB-CG 3.79Å; K600-L605 HydrophobicContact CD-CD2 4.07Å; T601-L605 PolarHBondContact O-N 2.97Å; I602-L605 PolarHBondContact O-N 3.31Å; L605-T607 PolarHBondContact O-N 3Å; L605-N608 PolarHBondContact O-N 3.3Å; L605-W609 WeakPolarHBondContact O-CB 3.47Å; L605-W609 PolarHBondContact O-N 2.99Å; L605-T615 HydrophobicContact CD2-CG2 3.94Å; L605-L699 HydrophobicContact CB-CB 4.12Å; L605-L699 HydrophobicContact CB-CD1 4.35Å; L605-L699 HydrophobicContact CD1-CB 4.29Å; L605-E703 HydrophobicContact CD2-CB 3.8Å; L605-E703 HydrophobicContact CD2-CG 4.3Å
606	L	87.6	Confident	80.9	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.6	-44.2	176.4	180	59.1	0	0	0	111.5	I602 W609 L610 L695 L699 L780 C813 R816 I817	I602-L606 VanDerWaalsContact O-CB 3.27Å; I602-L606 WeakPolarHBondContact O-CB 3.26Å; I602-L606 PolarHBondContact O-N 3.04Å; L606-W609 PolarHBondContact O-N 2.95Å; L606-L610 HydrophobicContact CD1-CD1 3.89Å; L606-L610 HydrophobicContact CD1-CD2 4.34Å; L606-L610 HydrophobicContact CD1-CG 3.9Å; L606-L610 HydrophobicContact CG-CD1 3.92Å; L606-L610 HydrophobicContact CG-CG 4.33Å; L606-L610 VanDerWaalsContact O-CG 3.3Å; L606-L610 WeakPolarHBondContact O-CG 3.38Å; L606-L610 PolarHBondContact O-N 3.44Å; L606-L695 HydrophobicContact CD1-CD2 4.29Å; L606-L699 HydrophobicContact CB-CD1 4.08Å; L606-L699 HydrophobicContact CD1-CD1 4.41Å; L606-L780 HydrophobicContact CD1-CD2 3.84Å; L606-C813 HydrophobicContact CD2-CB 3.94Å; L606-R816 HydrophobicContact CD2-CB 4.28Å; L606-I817 HydrophobicContact CD1-CD1 4.14Å; L606-I817 HydrophobicContact CD1-CG1 4.31Å; L606-I817 HydrophobicContact CD2-CD1 4.1Å; L606-I817 HydrophobicContact CD2-CG1 4.3Å
607	T	84.6	Confident	79.7	Confident	27 Å²	27	38.6 Å²	38.6	17%	0.166	20%	0.202	C	C	.	.	H	α-helix	trans	-58.5	-50.7	175.4	-56.1	0	0	0	0	111.7	D603 L605 W609 L610 D611 R816	D603-T607 WeakPolarHBondContact O-CB 3.31Å; D603-T607 PolarHBondContact O-N 2.92Å; D603-T607 PolarHBondContact O-OG1 3.06Å; L605-T607 PolarHBondContact O-N 3Å; T607-W609 VanDerWaalsContact C-N 3.26Å; T607-W609 PolarHBondContact O-N 2.97Å; T607-L610 PolarHBondContact O-N 3.02Å; T607-D611 WeakPolarHBondContact CG2-OD2 3.42Å; T607-D611 WeakPolarHBondContact O-CB 3.46Å; T607-D611 PolarHBondContact O-N 3.27Å; T607-R816 PolarHBondContact OG1-NE 3.01Å; T607-R816 PolarHBondContact OG1-NH1 3.46Å; T607-R816 PolarHBondContact OG1-NH2 3.42Å
608	N	83.8	Confident	78.2	Confident	16 Å²	16	41.5 Å²	41.5	9%	0.086	22%	0.223	C	C	.	.	H	α-helix	trans	-61.9	-36.7	179.1	-64.1	-26.3	0	0	0	111.6	K604 L605 N612 T614 T615	K604-N608 PolarHBondContact O-N 3Å; K604-N608 PolarHBondContact O-ND2 3.34Å; L605-N608 PolarHBondContact O-N 3.3Å; N608-N612 WeakPolarHBondContact O-CA 3.5Å; N608-N612 WeakPolarHBondContact O-CB 3.46Å; N608-N612 PolarHBondContact O-N 3.47Å; N608-N612 PolarHBondContact O-ND2 3.44Å; N608-T614 CarbonylContact C-O 3.48Å; N608-T614 WeakPolarHBondContact CB-O 3.26Å; N608-T614 VanDerWaalsContact O-O 3.08Å; N608-T615 PolarHBondContact ND2-O 3.1Å
609	W	87.2	Confident	76.5	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-66.5	-48.4	178.1	-167.5	-84.9	0	0	0	112.4	L605 L606 T607 Q613 T614 T615 L699 N773 I776 N777	L605-W609 WeakPolarHBondContact O-CB 3.47Å; L605-W609 PolarHBondContact O-N 2.99Å; L606-W609 PolarHBondContact O-N 2.95Å; T607-W609 VanDerWaalsContact C-N 3.26Å; T607-W609 PolarHBondContact O-N 2.97Å; W609-Q613 WeakPolarHBondContact O-CA 3.5Å; W609-Q613 PolarHBondContact O-N 2.86Å; W609-T614 PolarHBondContact N-O 3.22Å; W609-T615 HydrophobicContact CE3-CG2 3.9Å; W609-T615 HydrophobicContact CZ3-CG2 4.29Å; W609-L699 HydrophobicContact CB-CD2 3.95Å; W609-L699 HydrophobicContact CD2-CD2 4.08Å; W609-L699 HydrophobicContact CE3-CD2 4.05Å; W609-L699 HydrophobicContact CG-CD2 4.03Å; W609-N773 HydrophobicContact CH2-CB 4.17Å; W609-N773 HydrophobicContact CZ2-CB 4.28Å; W609-I776 HydrophobicContact CD2-CD1 4.44Å; W609-I776 HydrophobicContact CD2-CG2 3.89Å; W609-I776 VanDerWaalsContact CE2-CG2 3.42Å; W609-I776 HydrophobicContact CE3-CD1 4.14Å; W609-I776 HydrophobicContact CG-CG2 4.18Å; W609-I776 HydrophobicContact CH2-CB 4.33Å; W609-I776 HydrophobicContact CH2-CD1 3.47Å; W609-I776 VanDerWaalsContact CH2-CD1 3.47Å; W609-I776 HydrophobicContact CH2-CG1 4.48Å; W609-I776 HydrophobicContact CZ2-CB 3.77Å; W609-I776 HydrophobicContact CZ2-CD1 3.82Å; W609-I776 HydrophobicContact CZ2-CG1 4.39Å; W609-I776 HydrophobicContact CZ2-CG2 3.79Å; W609-I776 HydrophobicContact CZ3-CD1 3.65Å; W609-N777 PolarHBondContact NE1-OD1 2.85Å; W609-N777 VanDerWaalsContact NE1-OD1 3.17Å
610	L	83.5	Confident	74.8	Confident	14 Å²	14	46.2 Å²	46.2	7%	0.073	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-42.8	177.1	-65.5	173.9	0	0	0	111	L606 T607 L780 R816 I817 Y820	L606-L610 HydrophobicContact CD1-CD1 3.89Å; L606-L610 HydrophobicContact CD1-CD2 4.34Å; L606-L610 HydrophobicContact CD1-CG 3.9Å; L606-L610 HydrophobicContact CG-CD1 3.92Å; L606-L610 HydrophobicContact CG-CG 4.33Å; L606-L610 VanDerWaalsContact O-CG 3.3Å; L606-L610 WeakPolarHBondContact O-CG 3.38Å; L606-L610 PolarHBondContact O-N 3.44Å; T607-L610 PolarHBondContact O-N 3.02Å; L610-L780 HydrophobicContact CD2-CD1 4.3Å; L610-R816 HydrophobicContact CD1-CB 4.16Å; L610-I817 HydrophobicContact CD1-CG1 4.29Å; L610-Y820 HydrophobicContact CB-CD2 3.83Å; L610-Y820 HydrophobicContact CB-CE2 4Å; L610-Y820 HydrophobicContact CB-CG 4.2Å; L610-Y820 HydrophobicContact CD1-CG 4.37Å; L610-Y820 HydrophobicContact CD2-CD1 3.77Å; L610-Y820 HydrophobicContact CD2-CD2 4.39Å; L610-Y820 HydrophobicContact CD2-CE1 4.04Å; L610-Y820 HydrophobicContact CD2-CG 3.95Å; L610-Y820 HydrophobicContact CG-CG 4.39Å; L610-Y820 WeakPolarHBondContact O-CE2 3.27Å; L610-Y820 PolarHBondContact O-OH 3.09Å
611	D	81.5	Confident	72.5	Confident	116 Å²	116	53.2 Å²	53.2	62%	0.62	29%	0.291	S	S	*	.	H	α-helix	trans	-75.3	-34.2	-177.5	-71.7	-14.6	0	0	0	113.9	T607	T607-D611 WeakPolarHBondContact CG2-OD2 3.42Å; T607-D611 WeakPolarHBondContact O-CB 3.46Å; T607-D611 PolarHBondContact O-N 3.27Å
612	N	79.5	Confident	70.2	Confident	71 Å²	71	60.2 Å²	60.2	38%	0.38	33%	0.328	S	S	.	.	H	α-helix	trans	-135.2	2.7	-166.8	-51	-89.7	0	0	0	115	N608 T614	N608-N612 WeakPolarHBondContact O-CA 3.5Å; N608-N612 WeakPolarHBondContact O-CB 3.46Å; N608-N612 PolarHBondContact O-N 3.47Å; N608-N612 PolarHBondContact O-ND2 3.44Å; N612-T614 PolarHBondContact O-N 2.95Å; N612-T614 VanDerWaalsContact O-N 3.09Å
613	Q	80.6	Confident	67.6	Low	78 Å²	78	70 Å²	70	36%	0.364	37%	0.365	S	S	.	.	S	Bend	trans	51.1	30.9	-172	-68.9	-73.4	-30.8	0	0	113.4	W609 N777	W609-Q613 WeakPolarHBondContact O-CA 3.5Å; W609-Q613 PolarHBondContact O-N 2.86Å; Q613-N777 PolarHBondContact OE1-ND2 2.91Å; Q613-N777 PolarHBondContact OE1-OD1 3.12Å
614	T	75.6	Confident	65.1	Low	51 Å²	51	77.1 Å²	77.1	31%	0.313	40%	0.398	S	S	.	.	S	Bend	trans	-145.7	146.2	176.5	60.8	0	0	0	0	110.6	N608 W609 N612 K616	N608-T614 CarbonylContact C-O 3.48Å; N608-T614 WeakPolarHBondContact CB-O 3.26Å; N608-T614 VanDerWaalsContact O-O 3.08Å; W609-T614 PolarHBondContact N-O 3.22Å; N612-T614 PolarHBondContact O-N 2.95Å; N612-T614 VanDerWaalsContact O-N 3.09Å; T614-K616 PolarHBondContact O-N 3.27Å
615	T	69.9	Low	62.7	Low	2 Å²	2	79.1 Å²	79.1	1%	0.012	42%	0.423	C	S	.	.	S	Bend	trans	-74.5	-8.5	168.3	51	0	0	0	0	112.7	K600 L605 N608 W609 L699 S702	K600-T615 PolarHBondContact NZ-O 3Å; L605-T615 HydrophobicContact CD2-CG2 3.94Å; N608-T615 PolarHBondContact ND2-O 3.1Å; W609-T615 HydrophobicContact CE3-CG2 3.9Å; W609-T615 HydrophobicContact CZ3-CG2 4.29Å; T615-L699 HydrophobicContact CG2-CD2 4Å; T615-S702 VanDerWaalsContact CG2-OG 3.29Å; T615-S702 WeakPolarHBondContact CG2-OG 3.46Å; T615-S702 PolarHBondContact OG1-OG 3.12Å
616	K	67.2	Low	60	Low	99 Å²	99	87 Å²	87	43%	0.43	46%	0.462	S	S	.	.	S	Bend	trans	-66	141	176.5	-62	-177.5	-175.9	-178.3	0	110.2	T614 D706	T614-K616 PolarHBondContact O-N 3.27Å; K616-D706 WeakPolarHBondContact CE-OD1 3.46Å; K616-D706 WeakPolarHBondContact CE-OD2 3.41Å; K616-D706 IonicContact NZ-OD1 2.62Å; K616-D706 PolarHBondContact NZ-OD1 3.07Å; K616-D706 IonicContact NZ-OD2 3.96Å; K616-D706 PolarHBondContact NZ-OD2 3.33Å
617	T	56.9	Low	57.1	Low	77 Å²	77	93 Å²	93	47%	0.472	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-67.6	128.9	154.3	36.9	0	0	0	0	107.1	S619	T617-S619 PolarHBondContact O-N 3.42Å
618	P	52	Low	54.6	Low	81 Å²	81	101.4 Å²	101.4	53%	0.526	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-53.8	121.6	169.9	21.2	-31.4	0	0	0	108.3
619	S	46	Very low	52	Low	95 Å²	95	107.6 Å²	107.6	66%	0.664	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-59.1	135.4	175	-174	0	0	0	0	107.8	T617 E621	T617-S619 PolarHBondContact O-N 3.42Å; S619-E621 PolarHBondContact O-N 3.21Å
620	P	40.1	Very low	49.3	Very low	109 Å²	109	114.4 Å²	114.4	71%	0.708	59%	0.586	S	S	*	*			trans	-70.4	80.3	175	29.3	-34.2	0	0	0	110	N622	P620-N622 PolarHBondContact O-N 3.43Å
621	E	32.7	Very low	46.8	Very low	173 Å²	173	119.5 Å²	119.5	81%	0.808	61%	0.614	S	S	*	*			trans	-53.1	129.7	166.6	-66.8	-172.1	160.4	0	0	108.8	S619	S619-E621 PolarHBondContact O-N 3.21Å
622	N	29.8	Very low	44.3	Very low	148 Å²	148	120.4 Å²	120.4	79%	0.791	62%	0.624	S	S	*	*			trans	62.4	66.7	-171.2	-61.4	-49	0	0	0	116	P620	P620-N622 PolarHBondContact O-N 3.43Å
623	R	30.4	Very low	42.2	Very low	209 Å²	209	123.2 Å²	123.2	79%	0.789	63%	0.634	S	S	*	*				-117.8	123.4	121	-74	-167.5	179.6	162.2	7.6	110.5
624	H	29.9	Very low	40	Very low	163 Å²	163	128.8 Å²	128.8	76%	0.755	66%	0.658	S	S	*	*			trans	-49.2	150.3	172.6	-67.1	-84.5	0	0	0	111.4	M626	H624-M626 PolarHBondContact O-N 3.44Å
625	S	32.3	Very low	38.2	Very low	130 Å²	130	132.5 Å²	132.5	91%	0.909	68%	0.681	S	S	*	*			trans	-49.6	72.6	175.9	-46.6	0	0	0	0	114.2	E627	S625-E627 PolarHBondContact O-N 3Å; S625-E627 VanDerWaalsContact O-N 3.12Å
626	M	29.1	Very low	36.9	Very low	167 Å²	167	135.7 Å²	135.7	82%	0.823	70%	0.703	S	S	*	*			trans	-80.6	91.4	168.9	-77.5	-69	-74.6	0	0	108.1	H624	H624-M626 PolarHBondContact O-N 3.44Å
627	E	27.7	Very low	36	Very low	125 Å²	125	136 Å²	136	58%	0.584	71%	0.709	S	S	*	*			trans	44.5	98.6	160.5	-59.7	-173.7	149.6	0	0	116	S625 K629	S625-E627 PolarHBondContact O-N 3Å; S625-E627 VanDerWaalsContact O-N 3.12Å; E627-K629 HydrophobicContact CB-CG 4.33Å; E627-K629 PolarHBondContact O-N 3.36Å; E627-K629 IonicContact OE1-NZ 3.83Å; E627-K629 VanDerWaalsContact OE2-CE 3.25Å; E627-K629 WeakPolarHBondContact OE2-CE 3.41Å; E627-K629 IonicContact OE2-NZ 3.15Å; E627-K629 PolarHBondContact OE2-NZ 3.18Å
628	K	30.3	Very low	36.3	Very low	203 Å²	203	135.3 Å²	135.3	88%	0.883	70%	0.702	S	S	*	*			trans	-62.2	75.6	143.6	-71.2	-177.3	178.6	-179.7	0	108.5	N630	K628-N630 PolarHBondContact O-N 3.5Å
629	K	30.5	Very low	37.1	Very low	146 Å²	146	133.8 Å²	133.8	64%	0.635	69%	0.688	S	S	*	*			trans	-64	119.5	160.9	-95.9	170.8	173.3	141.8	0	106.2	E627 N631	E627-K629 HydrophobicContact CB-CG 4.33Å; E627-K629 PolarHBondContact O-N 3.36Å; E627-K629 IonicContact OE1-NZ 3.83Å; E627-K629 VanDerWaalsContact OE2-CE 3.25Å; E627-K629 WeakPolarHBondContact OE2-CE 3.41Å; E627-K629 IonicContact OE2-NZ 3.15Å; E627-K629 PolarHBondContact OE2-NZ 3.18Å; K629-N631 PolarHBondContact O-N 3.34Å
630	N	29.7	Very low	38.4	Very low	145 Å²	145	130.6 Å²	130.6	78%	0.775	66%	0.663	S	S	*	*			trans	-68.6	69.8	178	-71.4	-26.5	0	0	0	109.7	K628 T632	K628-N630 PolarHBondContact O-N 3.5Å; N630-T632 PolarHBondContact O-N 2.91Å
631	N	31.2	Very low	40	Very low	122 Å²	122	125.5 Å²	125.5	65%	0.652	63%	0.63	S	S	*	*			trans	-69.5	90.5	154.9	-79	20.2	0	0	0	106	K629 E633	K629-N631 PolarHBondContact O-N 3.34Å; N631-E633 HydrophobicContact CB-CG 4.3Å; N631-E633 PolarHBondContact O-N 3.32Å
632	T	29.1	Very low	42.2	Very low	134 Å²	134	117.4 Å²	117.4	82%	0.822	59%	0.592	S	S	*	*			trans	-65.4	56.8	148.9	39.1	0	0	0	0	109	N630 K634	N630-T632 PolarHBondContact O-N 2.91Å; T632-K634 VanDerWaalsContact C-N 3.34Å; T632-K634 PolarHBondContact O-N 3.23Å
633	E	35.8	Very low	44.5	Very low	130 Å²	130	110.9 Å²	110.9	61%	0.607	56%	0.558	S	S	*	*			trans	-55.3	108.6	155	-86.8	-173.4	155.5	0	0	104.6	N631 T635	N631-E633 HydrophobicContact CB-CG 4.3Å; N631-E633 PolarHBondContact O-N 3.32Å; E633-T635 PolarHBondContact O-N 3.29Å
634	K	33.4	Very low	46.9	Very low	196 Å²	196	101.9 Å²	101.9	85%	0.852	53%	0.525	S	S	*	.			trans	-46.3	122.3	169.5	-67.9	176	178.7	177.2	0	105.7	T632 S636	T632-K634 VanDerWaalsContact C-N 3.34Å; T632-K634 PolarHBondContact O-N 3.23Å; K634-S636 PolarHBondContact O-N 3.01Å
635	T	38.3	Very low	49.1	Very low	129 Å²	129	95.7 Å²	95.7	79%	0.791	50%	0.5	S	S	*	.			trans	-66.4	84.8	176.7	52.6	0	0	0	0	107.4	E633 D637	E633-T635 PolarHBondContact O-N 3.29Å; T635-D637 PolarHBondContact O-N 2.96Å
636	S	42	Very low	51.4	Low	68 Å²	68	89.9 Å²	89.9	48%	0.476	46%	0.459	S	S	.	.			trans	-50.8	135.4	162.9	47.9	0	0	0	0	106.7	K634 N638	K634-S636 PolarHBondContact O-N 3.01Å; S636-N638 VanDerWaalsContact C-N 3.26Å; S636-N638 PolarHBondContact O-N 3.5Å; S636-N638 PolarHBondContact O-OD1 3.22Å; S636-N638 PolarHBondContact OG-OD1 3.49Å; S636-N638 VanDerWaalsContact OG-OD1 3.11Å
637	D	49.8	Very low	53.9	Low	106 Å²	106	82.6 Å²	82.6	57%	0.567	43%	0.425	S	S	*	.			trans	-60.2	96.4	174	-60.9	-49.8	0	0	0	107.4	A588 T635 K639	A588-D637 HydrophobicContact CB-CB 4.19Å; A588-D637 WeakPolarHBondContact CB-OD1 3.44Å; T635-D637 PolarHBondContact O-N 2.96Å; D637-K639 PolarHBondContact O-N 2.97Å
638	N	62.3	Low	56.6	Low	62 Å²	62	76.8 Å²	76.8	33%	0.332	40%	0.398	S	S	.	.			trans	-71.9	87.1	-178.3	-78.3	-9.7	0	0	0	106.9	T587 S636	T587-N638 PolarHBondContact N-O 3.17Å; T587-N638 WeakPolarHBondContact OG1-CB 3.27Å; T587-N638 PolarHBondContact OG1-O 3.41Å; T587-N638 VanDerWaalsContact OG1-O 3.1Å; S636-N638 VanDerWaalsContact C-N 3.26Å; S636-N638 PolarHBondContact O-N 3.5Å; S636-N638 PolarHBondContact O-OD1 3.22Å; S636-N638 PolarHBondContact OG-OD1 3.49Å; S636-N638 VanDerWaalsContact OG-OD1 3.11Å
639	K	68.7	Low	59.2	Low	50 Å²	50	68 Å²	68	22%	0.217	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	140.1	169.4	-73.8	176.1	179.7	176.7	0	108.2	F553 E555 V584 N586 D637	F553-K639 HydrophobicContact CD1-CB 3.85Å; F553-K639 HydrophobicContact CD1-CD 3.81Å; F553-K639 HydrophobicContact CD1-CG 4.44Å; F553-K639 HydrophobicContact CE1-CB 4.42Å; F553-K639 HydrophobicContact CE1-CD 4.1Å; E555-K639 IonicContact OE1-NZ 3.99Å; E555-K639 PolarHBondContact OE1-NZ 3.2Å; V584-K639 HydrophobicContact CG1-CB 4.16Å; V584-K639 HydrophobicContact CG1-CD 4.25Å; V584-K639 HydrophobicContact CG1-CG 4.19Å; N586-K639 VanDerWaalsContact OD1-CE 3.25Å; N586-K639 WeakPolarHBondContact OD1-CE 3.45Å; N586-K639 WeakPolarHBondContact OD1-CG 3.22Å; D637-K639 PolarHBondContact O-N 2.97Å
640	L	74.2	Confident	61.8	Low	28 Å²	28	61.1 Å²	61.1	15%	0.147	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	110.8	-159.5	-105.9	-147.8	0	0	0	105.8	V547 P549 L585 T587 F597	V547-L640 HydrophobicContact CB-CB 4.4Å; V547-L640 HydrophobicContact CB-CD1 4.04Å; V547-L640 HydrophobicContact CB-CD2 4.04Å; V547-L640 HydrophobicContact CB-CG 4.35Å; V547-L640 VanDerWaalsContact CG1-CA 3.48Å; V547-L640 HydrophobicContact CG1-CB 3.25Å; V547-L640 HydrophobicContact CG1-CD1 3.65Å; V547-L640 HydrophobicContact CG1-CD2 3.74Å; V547-L640 HydrophobicContact CG1-CG 3.67Å; P549-L640 HydrophobicContact CB-CD2 4.02Å; L585-L640 HydrophobicContact CB-CB 4.07Å; L585-L640 WeakPolarHBondContact CB-O 3.38Å; L585-L640 PolarHBondContact N-O 3.03Å; L585-L640 WeakPolarHBondContact O-CB 3.36Å; L585-L640 PolarHBondContact O-N 3.31Å; T587-L640 HydrophobicContact CG2-CB 4.13Å; T587-L640 HydrophobicContact CG2-CD1 3.26Å; T587-L640 HydrophobicContact CG2-CG 3.52Å; F597-L640 HydrophobicContact CE2-CD1 4.35Å
641	L	73.7	Confident	64.4	Low	2 Å²	2	58 Å²	58	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	109.1	-174.3	-64	-174.9	0	0	0	113.1	V547 F548 L550 F553 W558 V573 Y582 V583 V584	V547-L641 VanDerWaalsContact CA-O 3.29Å; V547-L641 WeakPolarHBondContact CA-O 3.14Å; V547-L641 VanDerWaalsContact CG1-N 3.33Å; F548-L641 PolarHBondContact N-O 3.1Å; L550-L641 HydrophobicContact CD1-CD1 3.52Å; L550-L641 HydrophobicContact CD1-CG 4.33Å; F553-L641 HydrophobicContact CD2-CD1 4.07Å; F553-L641 HydrophobicContact CE1-CD2 4.45Å; F553-L641 HydrophobicContact CE2-CD1 3.78Å; F553-L641 HydrophobicContact CE2-CD2 4.01Å; F553-L641 HydrophobicContact CE2-CG 4.32Å; F553-L641 HydrophobicContact CZ-CD2 3.91Å; W558-L641 HydrophobicContact CE3-CD1 4.3Å; W558-L641 HydrophobicContact CH2-CD1 3.27Å; W558-L641 HydrophobicContact CZ2-CD1 3.7Å; W558-L641 HydrophobicContact CZ3-CD1 3.61Å; V573-L641 HydrophobicContact CG2-CD2 3.96Å; Y582-L641 HydrophobicContact CD1-CB 4.19Å; V583-L641 WeakPolarHBondContact O-CA 3.25Å; V584-L641 HydrophobicContact CB-CD2 4.22Å; V584-L641 HydrophobicContact CG1-CD2 4.3Å; V584-L641 HydrophobicContact CG2-CD2 3.74Å
642	H	78.6	Confident	66.8	Low	2 Å²	2	54.1 Å²	54.1	1%	0.009	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.3	171.7	-167.3	-75.5	0	0	0	109.8	V547 Y582 V583 L585 N728 L730	V547-H642 HydrophobicContact CG2-CB 4.39Å; Y582-H642 CarbonylContact C-O 3.59Å; Y582-H642 VanDerWaalsContact CA-O 3.25Å; Y582-H642 WeakPolarHBondContact CA-O 3.38Å; V583-H642 PolarHBondContact N-O 3.48Å; V583-H642 PolarHBondContact O-N 3.49Å; L585-H642 HydrophobicContact CD1-CB 4.27Å; H642-N728 PolarHBondContact NE2-ND2 2.91Å; H642-L730 HydrophobicContact CB-CD2 4.09Å
643	S	77.8	Confident	69.3	Low	11 Å²	11	47.8 Å²	47.8	8%	0.077	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	149	174.4	42.4	0	0	0	0	111.1	T725	S643-T725 WeakPolarHBondContact O-CG2 3.5Å
644	I	79.8	Confident	71.6	Confident	21 Å²	21	42.1 Å²	42.1	11%	0.108	23%	0.228	C	C	.	.			trans	-127.3	126.7	177	176.3	164.9	0	0	0	109.5	I564 I572 E581 V583 A647 I723	I564-I644 HydrophobicContact CD1-CD1 4.49Å; I572-I644 HydrophobicContact CD1-CD1 4.39Å; I572-I644 HydrophobicContact CG2-CG2 4.37Å; E581-I644 HydrophobicContact CB-CG2 3.57Å; E581-I644 WeakPolarHBondContact O-CG2 3.35Å; E581-I644 PolarHBondContact O-N 2.85Å; V583-I644 HydrophobicContact CG2-CB 4.15Å; V583-I644 HydrophobicContact CG2-CD1 3.91Å; V583-I644 HydrophobicContact CG2-CG2 4.12Å; I644-A647 HydrophobicContact CD1-CB 3.74Å; I644-I723 HydrophobicContact CB-CG2 4.01Å; I644-I723 HydrophobicContact CD1-CG2 4.3Å; I644-I723 HydrophobicContact CG1-CG2 4.01Å
645	S	77.5	Confident	73.9	Confident	32 Å²	32	36.4 Å²	36.4	22%	0.224	21%	0.207	C	C	.	.	S	Bend	trans	-111.1	-32.1	169.2	-51.3	0	0	0	0	111	M472 L724	M472-S645 WeakPolarHBondContact CE-O 3.5Å; M472-S645 VanDerWaalsContact SD-O 3.34Å; S645-L724 WeakPolarHBondContact CB-O 3.44Å; S645-L724 PolarHBondContact N-O 2.91Å; S645-L724 VanDerWaalsContact N-O 3.1Å
646	L	79	Confident	75.8	Confident	8 Å²	8	32.9 Å²	32.9	4%	0.042	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	141.4	179	166.9	63.9	0	0	0	108.8	M472 L487 M490 V648 L724	M472-L646 HydrophobicContact CG-CD1 3.5Å; M472-L646 HydrophobicContact SD-CB 4.23Å; M472-L646 HydrophobicContact SD-CD1 4.07Å; L487-L646 HydrophobicContact CD2-CD2 3.88Å; L487-L646 HydrophobicContact CG-CD2 4.46Å; M490-L646 HydrophobicContact SD-CB 4.07Å; M490-L646 HydrophobicContact SD-CD2 4.29Å; L646-V648 HydrophobicContact CD1-CG2 3.56Å; L646-V648 HydrophobicContact CD2-CG2 3.98Å; L646-V648 HydrophobicContact CG-CG2 3.65Å; L646-L724 HydrophobicContact CB-CB 4.08Å; L646-L724 HydrophobicContact CD2-CB 4.4Å; L646-L724 HydrophobicContact CD2-CD1 3.73Å; L646-L724 HydrophobicContact CG-CB 4.36Å; L646-L724 HydrophobicContact CG-CD1 4.16Å; L646-L724 PolarHBondContact N-O 3.38Å; L646-L724 PolarHBondContact O-N 3.24Å
647	A	82.6	Confident	77.4	Confident	15 Å²	15	30.2 Å²	30.2	12%	0.124	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.2	168.5	0	0	0	0	0	109.7	I564 I644 L721 L722 I723	I564-A647 HydrophobicContact CD1-CB 4.31Å; I644-A647 HydrophobicContact CD1-CB 3.74Å; A647-L721 HydrophobicContact CB-CD1 4.36Å; A647-L722 WeakPolarHBondContact CA-O 3.22Å; A647-I723 HydrophobicContact CB-CG1 4.47Å
648	V	83.5	Confident	78.6	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.018	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	143.7	-176.8	-162.7	0	0	0	0	109.3	L483 L646 L653 L722	L483-V648 HydrophobicContact CD1-CG1 3.88Å; L483-V648 HydrophobicContact CD1-CG2 3.77Å; L646-V648 HydrophobicContact CD1-CG2 3.56Å; L646-V648 HydrophobicContact CD2-CG2 3.98Å; L646-V648 HydrophobicContact CG-CG2 3.65Å; V648-L653 HydrophobicContact CG1-CB 4.2Å; V648-L722 PolarHBondContact N-O 3.28Å; V648-L722 PolarHBondContact O-N 3.13Å
649	T	85.6	Confident	79.1	Confident	19 Å²	19	31.3 Å²	31.3	12%	0.117	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	150.8	167.9	62.8	0	0	0	0	110.9	K651 S652 L653 I720	T649-K651 VanDerWaalsContact C-N 3.28Å; T649-K651 PolarHBondContact O-N 3.16Å; T649-S652 PolarHBondContact O-N 3.07Å; T649-S652 WeakPolarHBondContact OG1-CB 3.46Å; T649-S652 PolarHBondContact OG1-N 3.43Å; T649-S652 PolarHBondContact OG1-OG 3.36Å; T649-S652 VanDerWaalsContact OG1-OG 3.07Å; T649-L653 PolarHBondContact O-N 3.27Å; T649-L653 VanDerWaalsContact O-N 3.13Å; T649-I720 WeakPolarHBondContact CA-O 3.44Å
650	L	85.6	Confident	79	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.8	-41.5	178.1	178	64.6	0	0	0	111.1	L653 L654 I693 V697 P717 I720 L722 L761 L765	L650-L653 PolarHBondContact O-N 3.32Å; L650-L654 HydrophobicContact CD1-CD1 4.16Å; L650-L654 HydrophobicContact CD1-CD2 4.37Å; L650-L654 HydrophobicContact CD1-CG 4.03Å; L650-L654 HydrophobicContact CD2-CD1 4.49Å; L650-L654 HydrophobicContact CG-CD1 3.9Å; L650-L654 HydrophobicContact CG-CG 4.21Å; L650-L654 VanDerWaalsContact O-CG 3.29Å; L650-L654 WeakPolarHBondContact O-CG 3.44Å; L650-L654 PolarHBondContact O-N 3.37Å; L650-I693 HydrophobicContact CD1-CG2 4.25Å; L650-V697 HydrophobicContact CD1-CG2 4.28Å; L650-V697 HydrophobicContact CD2-CG1 4.48Å; L650-V697 HydrophobicContact CD2-CG2 4.48Å; L650-P717 HydrophobicContact CB-CB 4.28Å; L650-P717 WeakPolarHBondContact CB-O 3.04Å; L650-P717 HydrophobicContact CD2-CB 4.17Å; L650-P717 HydrophobicContact CG-CB 4.18Å; L650-P717 PolarHBondContact N-O 2.82Å; L650-I720 HydrophobicContact CB-CB 3.96Å; L650-I720 HydrophobicContact CB-CG2 4.04Å; L650-I720 HydrophobicContact CD2-CB 4.31Å; L650-I720 HydrophobicContact CD2-CD1 3.87Å; L650-I720 HydrophobicContact CD2-CG2 4.25Å; L650-I720 PolarHBondContact N-O 2.85Å; L650-L722 HydrophobicContact CD1-CD1 4.1Å; L650-L761 HydrophobicContact CD2-CD1 3.9Å; L650-L765 HydrophobicContact CD1-CD2 4.29Å; L650-L765 HydrophobicContact CD2-CD2 4.15Å
651	K	84.4	Confident	78.7	Confident	81 Å²	81	33.3 Å²	33.3	35%	0.352	17%	0.169	S	C	.	.	H	α-helix	trans	-56.8	-51.6	175.6	-174.4	179.6	-179.4	-175.9	0	112.6	T649 L653 L654 N655 P717 E718	T649-K651 VanDerWaalsContact C-N 3.28Å; T649-K651 PolarHBondContact O-N 3.16Å; K651-L653 PolarHBondContact O-N 3.05Å; K651-L654 PolarHBondContact O-N 3.25Å; K651-N655 WeakPolarHBondContact O-CB 3.38Å; K651-N655 VanDerWaalsContact O-CG 3.27Å; K651-N655 PolarHBondContact O-N 3.4Å; K651-N655 PolarHBondContact O-OD1 2.94Å; K651-P717 HydrophobicContact CB-CB 4Å; K651-P717 PolarHBondContact N-O 2.8Å; K651-E718 HydrophobicContact CB-CG 4.03Å; K651-E718 HydrophobicContact CD-CG 3.39Å; K651-E718 VanDerWaalsContact CD-OE1 3.23Å; K651-E718 WeakPolarHBondContact CD-OE1 3.48Å; K651-E718 WeakPolarHBondContact CE-OE1 3.34Å; K651-E718 HydrophobicContact CG-CG 4.33Å; K651-E718 IonicContact NZ-OE1 3.78Å; K651-E718 PolarHBondContact NZ-OE1 2.74Å
652	S	81.4	Confident	78.4	Confident	39 Å²	39	39.7 Å²	39.7	27%	0.273	20%	0.199	S	C	.	.	H	α-helix	trans	-64.9	-30.8	-177	-62.1	0	0	0	0	111.9	T649 L656	T649-S652 PolarHBondContact O-N 3.07Å; T649-S652 WeakPolarHBondContact OG1-CB 3.46Å; T649-S652 PolarHBondContact OG1-N 3.43Å; T649-S652 PolarHBondContact OG1-OG 3.36Å; T649-S652 VanDerWaalsContact OG1-OG 3.07Å; S652-L656 WeakPolarHBondContact O-CB 3.42Å; S652-L656 PolarHBondContact O-N 3.47Å
653	L	82.3	Confident	77.9	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-70.1	-48.2	173.1	-165.5	68.9	0	0	0	112.2	L483 L487 V648 T649 L650 K651 L656 F657 F689 I693 L722	L483-L653 HydrophobicContact CD2-CD1 3.76Å; L487-L653 HydrophobicContact CD1-CD1 4.32Å; V648-L653 HydrophobicContact CG1-CB 4.2Å; T649-L653 PolarHBondContact O-N 3.27Å; T649-L653 VanDerWaalsContact O-N 3.13Å; L650-L653 PolarHBondContact O-N 3.32Å; K651-L653 PolarHBondContact O-N 3.05Å; L653-L656 PolarHBondContact O-N 2.63Å; L653-F657 HydrophobicContact CD1-CD2 4.43Å; L653-F657 HydrophobicContact CD1-CE2 3.77Å; L653-F657 HydrophobicContact CG-CD2 4.32Å; L653-F657 HydrophobicContact CG-CE2 4.07Å; L653-F657 VanDerWaalsContact O-CD2 3.22Å; L653-F657 WeakPolarHBondContact O-CD2 3.28Å; L653-F657 PolarHBondContact O-N 3.49Å; L653-F689 HydrophobicContact CD1-CE1 4.17Å; L653-F689 HydrophobicContact CD2-CE1 4.13Å; L653-F689 HydrophobicContact CG-CE1 4.43Å; L653-I693 HydrophobicContact CD2-CD1 4.3Å; L653-I693 HydrophobicContact CD2-CG1 4.15Å; L653-I693 HydrophobicContact CD2-CG2 3.98Å; L653-L722 HydrophobicContact CD2-CD1 3.52Å
654	L	84	Confident	77	Confident	11 Å²	11	44 Å²	44	6%	0.058	22%	0.22	C	C	.	.	H	α-helix	trans	-59.8	-52.6	178.1	-68.9	175.3	0	0	0	111.1	L650 K651 L656 F657 E658 L690 L765	L650-L654 HydrophobicContact CD1-CD1 4.16Å; L650-L654 HydrophobicContact CD1-CD2 4.37Å; L650-L654 HydrophobicContact CD1-CG 4.03Å; L650-L654 HydrophobicContact CD2-CD1 4.49Å; L650-L654 HydrophobicContact CG-CD1 3.9Å; L650-L654 HydrophobicContact CG-CG 4.21Å; L650-L654 VanDerWaalsContact O-CG 3.29Å; L650-L654 WeakPolarHBondContact O-CG 3.44Å; L650-L654 PolarHBondContact O-N 3.37Å; K651-L654 PolarHBondContact O-N 3.25Å; L654-L656 PolarHBondContact O-N 3.33Å; L654-F657 PolarHBondContact O-N 3.01Å; L654-E658 WeakPolarHBondContact O-CG 3.36Å; L654-E658 PolarHBondContact O-N 2.89Å; L654-L690 HydrophobicContact CD2-CD1 3.68Å; L654-L765 HydrophobicContact CD1-CD2 4.4Å; L654-L765 HydrophobicContact CD2-CD2 4.42Å
655	N	80.9	Confident	76.1	Confident	76 Å²	76	48.7 Å²	48.7	41%	0.406	24%	0.239	S	C	.	.	H	α-helix	trans	-55.4	-36.7	179.8	-73.2	17.3	0	0	0	112.7	K651 K659	K651-N655 WeakPolarHBondContact O-CB 3.38Å; K651-N655 VanDerWaalsContact O-CG 3.27Å; K651-N655 PolarHBondContact O-N 3.4Å; K651-N655 PolarHBondContact O-OD1 2.94Å; N655-K659 VanDerWaalsContact O-CB 3.32Å; N655-K659 WeakPolarHBondContact O-CB 3.47Å; N655-K659 PolarHBondContact O-N 2.81Å
656	L	77.5	Confident	75.4	Confident	55 Å²	55	50 Å²	50	29%	0.288	25%	0.252	S	S	.	.	H	α-helix	trans	-68.1	-38.7	179.6	-176.6	142	0	0	0	112.2	L483 S652 L653 L654 H660	L483-L656 HydrophobicContact CB-CD1 3.78Å; L483-L656 HydrophobicContact CD2-CD1 4.1Å; L483-L656 HydrophobicContact CD2-CD2 4.16Å; L483-L656 HydrophobicContact CG-CD1 4.37Å; S652-L656 WeakPolarHBondContact O-CB 3.42Å; S652-L656 PolarHBondContact O-N 3.47Å; L653-L656 PolarHBondContact O-N 2.63Å; L654-L656 PolarHBondContact O-N 3.33Å; L656-H660 WeakPolarHBondContact O-CB 3.4Å; L656-H660 PolarHBondContact O-N 3.38Å; L656-H660 VanDerWaalsContact O-N 3.15Å
657	F	75.6	Confident	74.4	Confident	12 Å²	12	54.6 Å²	54.6	5%	0.053	27%	0.273	C	S	.	.	H	α-helix	trans	-81.2	-29.1	177.1	-70.3	-65.2	0	0	0	113.3	L487 L653 L654 H660 K661 V686 F689	L487-F657 HydrophobicContact CD1-CE2 4.14Å; L487-F657 HydrophobicContact CD1-CZ 3.71Å; L653-F657 HydrophobicContact CD1-CD2 4.43Å; L653-F657 HydrophobicContact CD1-CE2 3.77Å; L653-F657 HydrophobicContact CG-CD2 4.32Å; L653-F657 HydrophobicContact CG-CE2 4.07Å; L653-F657 VanDerWaalsContact O-CD2 3.22Å; L653-F657 WeakPolarHBondContact O-CD2 3.28Å; L653-F657 PolarHBondContact O-N 3.49Å; L654-F657 PolarHBondContact O-N 3.01Å; F657-H660 PolarHBondContact O-N 2.97Å; F657-K661 WeakPolarHBondContact O-CB 3.33Å; F657-K661 PolarHBondContact O-N 2.91Å; F657-V686 HydrophobicContact CB-CG1 4.24Å; F657-V686 HydrophobicContact CD1-CB 4.36Å; F657-V686 HydrophobicContact CD1-CG1 3.45Å; F657-V686 VanDerWaalsContact CD1-CG1 3.45Å; F657-V686 HydrophobicContact CD1-CG2 4.15Å; F657-V686 HydrophobicContact CE1-CG1 4.11Å; F657-V686 HydrophobicContact CE1-CG2 4.15Å; F657-V686 HydrophobicContact CG-CG1 4.12Å; F657-F689 HydrophobicContact CD2-CD1 4.39Å; F657-F689 HydrophobicContact CE1-CD1 4.46Å; F657-F689 AromaticContact CE2-CD1 3.52Å; F657-F689 HydrophobicContact CE2-CD1 3.52Å; F657-F689 AromaticContact CE2-CE1 3.51Å; F657-F689 HydrophobicContact CE2-CE1 3.51Å; F657-F689 AromaticContact CZ-CD1 3.53Å; F657-F689 HydrophobicContact CZ-CD1 3.53Å; F657-F689 AromaticContact CZ-CE1 3.8Å; F657-F689 HydrophobicContact CZ-CE1 3.8Å
658	E	74.9	Confident	73.1	Confident	75 Å²	75	56 Å²	56	35%	0.35	29%	0.285	S	S	.	.	H	α-helix	trans	-64.2	-48.9	169.5	-72.7	-177.3	159.5	0	0	111.1	L654 H660 K661 E662 H766	L654-E658 WeakPolarHBondContact O-CG 3.36Å; L654-E658 PolarHBondContact O-N 2.89Å; E658-H660 VanDerWaalsContact C-N 3.3Å; E658-H660 PolarHBondContact O-N 3.2Å; E658-K661 CarbonylContact O-C 3.5Å; E658-K661 WeakPolarHBondContact O-CA 3.5Å; E658-K661 WeakPolarHBondContact O-CB 3.16Å; E658-K661 PolarHBondContact O-N 3.45Å; E658-E662 PolarHBondContact O-N 3.25Å; E658-H766 IonicContact OE1-CD2 3.13Å; E658-H766 IonicContact OE1-CE1 3.52Å; E658-H766 IonicContact OE1-NE2 3.9Å; E658-H766 PolarHBondContact OE1-NE2 2.81Å
659	K	73.4	Confident	72.1	Confident	116 Å²	116	63.8 Å²	63.8	50%	0.504	32%	0.322	S	S	.	.	H	α-helix	trans	-57.6	-42.4	174.3	-173.9	172.5	-175.2	-77.2	0	112	N655 K661 E662 E663	N655-K659 VanDerWaalsContact O-CB 3.32Å; N655-K659 WeakPolarHBondContact O-CB 3.47Å; N655-K659 PolarHBondContact O-N 2.81Å; K659-K661 VanDerWaalsContact C-N 3.29Å; K659-K661 PolarHBondContact O-N 3.26Å; K659-E662 PolarHBondContact O-N 2.95Å; K659-E663 IonicContact NZ-OE1 2.69Å; K659-E663 PolarHBondContact NZ-OE1 2.88Å; K659-E663 WeakPolarHBondContact O-CB 3.41Å; K659-E663 VanDerWaalsContact O-CG 3.32Å; K659-E663 WeakPolarHBondContact O-CG 3.2Å; K659-E663 PolarHBondContact O-N 3.18Å
660	H	66.7	Low	70.7	Confident	27 Å²	27	67.2 Å²	67.2	13%	0.125	35%	0.346	C	S	.	.	H	α-helix	trans	-62.4	-35.2	174.5	-174.5	-80	0	0	0	112.9	K484 L656 F657 E658 S664	K484-H660 PolarHBondContact NZ-CD2 2.95Å; K484-H660 PolarHBondContact NZ-NE2 3.17Å; L656-H660 WeakPolarHBondContact O-CB 3.4Å; L656-H660 PolarHBondContact O-N 3.38Å; L656-H660 VanDerWaalsContact O-N 3.15Å; F657-H660 PolarHBondContact O-N 2.97Å; E658-H660 VanDerWaalsContact C-N 3.3Å; E658-H660 PolarHBondContact O-N 3.2Å; H660-S664 WeakPolarHBondContact O-CB 3.31Å; H660-S664 PolarHBondContact O-N 2.87Å; H660-S664 PolarHBondContact O-OG 3.44Å
661	K	67.6	Low	69	Low	93 Å²	93	69.4 Å²	69.4	40%	0.404	37%	0.369	S	S	.	.	H	α-helix	trans	-72.8	-28.7	177	-172	172.1	-174.8	165.4	0	112.4	F657 E658 K659 S664 K665	F657-K661 WeakPolarHBondContact O-CB 3.33Å; F657-K661 PolarHBondContact O-N 2.91Å; E658-K661 CarbonylContact O-C 3.5Å; E658-K661 WeakPolarHBondContact O-CA 3.5Å; E658-K661 WeakPolarHBondContact O-CB 3.16Å; E658-K661 PolarHBondContact O-N 3.45Å; K659-K661 VanDerWaalsContact C-N 3.29Å; K659-K661 PolarHBondContact O-N 3.26Å; K661-S664 PolarHBondContact O-OG 3.37Å; K661-K665 WeakPolarHBondContact O-CD 3.43Å; K661-K665 VanDerWaalsContact O-CG 3.23Å; K661-K665 WeakPolarHBondContact O-CG 3.08Å; K661-K665 PolarHBondContact O-N 3.17Å
662	E	68.2	Low	67.3	Low	137 Å²	137	71.3 Å²	71.3	64%	0.64	38%	0.379	S	S	*	.	H	α-helix	trans	-74.5	-45.8	171.1	-68.2	179.9	162.8	0	0	111.3	E658 K659 S664 K665 A666	E658-E662 PolarHBondContact O-N 3.25Å; K659-E662 PolarHBondContact O-N 2.95Å; E662-S664 PolarHBondContact O-N 3.34Å; E662-K665 PolarHBondContact O-N 2.98Å; E662-A666 PolarHBondContact O-N 3.19Å
663	E	66.9	Low	65.7	Low	87 Å²	87	77 Å²	77	41%	0.407	40%	0.401	S	S	.	.	H	α-helix	trans	-57.4	-48.3	174.2	-72.6	171	163.8	0	0	111.2	K659 K665 A666 E667	K659-E663 IonicContact NZ-OE1 2.69Å; K659-E663 PolarHBondContact NZ-OE1 2.88Å; K659-E663 WeakPolarHBondContact O-CB 3.41Å; K659-E663 VanDerWaalsContact O-CG 3.32Å; K659-E663 WeakPolarHBondContact O-CG 3.2Å; K659-E663 PolarHBondContact O-N 3.18Å; E663-K665 VanDerWaalsContact C-N 3.29Å; E663-K665 PolarHBondContact O-N 3.41Å; E663-A666 PolarHBondContact O-N 3.41Å; E663-E667 WeakPolarHBondContact O-CG 3.49Å; E663-E667 PolarHBondContact O-N 2.86Å
664	S	59.3	Low	63.9	Low	17 Å²	17	85.4 Å²	85.4	12%	0.119	44%	0.44	C	S	.	.	H	α-helix	trans	-66.6	-26.7	179	70	0	0	0	0	114	H660 K661 E662 A668 Q683	H660-S664 WeakPolarHBondContact O-CB 3.31Å; H660-S664 PolarHBondContact O-N 2.87Å; H660-S664 PolarHBondContact O-OG 3.44Å; K661-S664 PolarHBondContact O-OG 3.37Å; E662-S664 PolarHBondContact O-N 3.34Å; S664-A668 WeakPolarHBondContact O-CB 3.39Å; S664-A668 PolarHBondContact O-N 2.91Å; S664-Q683 PolarHBondContact OG-OE1 2.81Å
665	K	62.1	Low	62	Low	119 Å²	119	89.3 Å²	89.3	52%	0.517	46%	0.458	S	S	.	.	H	α-helix	trans	-71.5	-44.7	171.5	-79.2	171.9	177.4	-175.9	0	111.7	K661 E662 E663 E667 A668 E669	K661-K665 WeakPolarHBondContact O-CD 3.43Å; K661-K665 VanDerWaalsContact O-CG 3.23Å; K661-K665 WeakPolarHBondContact O-CG 3.08Å; K661-K665 PolarHBondContact O-N 3.17Å; E662-K665 PolarHBondContact O-N 2.98Å; E663-K665 VanDerWaalsContact C-N 3.29Å; E663-K665 PolarHBondContact O-N 3.41Å; K665-E667 VanDerWaalsContact C-N 3.28Å; K665-E667 PolarHBondContact O-N 3.47Å; K665-A668 PolarHBondContact O-N 3.4Å; K665-A668 VanDerWaalsContact O-N 3.17Å; K665-E669 WeakPolarHBondContact O-CG 3.3Å; K665-E669 PolarHBondContact O-N 3.24Å
666	A	61.8	Low	60.2	Low	60 Å²	60	90.5 Å²	90.5	50%	0.496	46%	0.461	S	S	.	.	H	α-helix	trans	-62.5	-36	176.7	0	0	0	0	0	111.9	E662 E663 S670	E662-A666 PolarHBondContact O-N 3.19Å; E663-A666 PolarHBondContact O-N 3.41Å; A666-S670 PolarHBondContact O-N 2.85Å
667	E	57.5	Low	58.7	Low	103 Å²	103	94.9 Å²	94.9	48%	0.481	48%	0.48	S	S	.	.	H	α-helix	trans	-70.7	-36.4	172.5	-68.2	176.1	163.7	0	0	112.7	E663 K665 E669 S670 H679	E663-E667 WeakPolarHBondContact O-CG 3.49Å; E663-E667 PolarHBondContact O-N 2.86Å; K665-E667 VanDerWaalsContact C-N 3.28Å; K665-E667 PolarHBondContact O-N 3.47Å; E667-E669 VanDerWaalsContact C-N 3.35Å; E667-E669 PolarHBondContact O-N 2.93Å; E667-S670 PolarHBondContact O-N 2.94Å; E667-S670 PolarHBondContact O-OG 2.9Å; E667-H679 IonicContact OE2-CE1 2.66Å; E667-H679 PolarHBondContact OE2-CE1 3.02Å; E667-H679 IonicContact OE2-ND1 3.96Å
668	A	56.2	Low	57.3	Low	46 Å²	46	97.6 Å²	97.6	38%	0.38	49%	0.492	S	S	.	.	H	α-helix	trans	-67.6	-33.6	174.5	0	0	0	0	0	113	S664 K665	S664-A668 WeakPolarHBondContact O-CB 3.39Å; S664-A668 PolarHBondContact O-N 2.91Å; K665-A668 PolarHBondContact O-N 3.4Å; K665-A668 VanDerWaalsContact O-N 3.17Å
669	E	62.1	Low	56.2	Low	166 Å²	166	95.5 Å²	95.5	78%	0.776	48%	0.483	S	S	*	.	H	α-helix	trans	-73.1	-23	176.5	-74.3	177.5	-165	0	0	113.3	K665 E667 G671	K665-E669 WeakPolarHBondContact O-CG 3.3Å; K665-E669 PolarHBondContact O-N 3.24Å; E667-E669 VanDerWaalsContact C-N 3.35Å; E667-E669 PolarHBondContact O-N 2.93Å; E669-G671 PolarHBondContact O-N 2.99Å
670	S	57.2	Low	55.2	Low	90 Å²	90	95.8 Å²	95.8	63%	0.629	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.3	-179	71.5	0	0	0	0	114.8	A666 E667	A666-S670 PolarHBondContact O-N 2.85Å; E667-S670 PolarHBondContact O-N 2.94Å; E667-S670 PolarHBondContact O-OG 2.9Å
671	G	49.6	Very low	54.6	Low	46 Å²	46	96.6 Å²	96.6	47%	0.474	49%	0.49	S	S	.	.			trans	93	6.7	153.3	0	0	0	0	0	117.8	E669 Q673	E669-G671 PolarHBondContact O-N 2.99Å; G671-Q673 PolarHBondContact O-N 3.18Å
672	E	48.2	Very low	54.1	Low	122 Å²	122	95 Å²	95	57%	0.57	48%	0.484	S	S	*	.			trans	-81.6	104.5	179.5	-66.7	-162.1	-172.9	0	0	112.6	Q674 H675 Q676	E672-Q674 VanDerWaalsContact C-N 3.27Å; E672-Q674 PolarHBondContact O-N 3.23Å; E672-H675 HydrophobicContact CB-CB 4.35Å; E672-H675 WeakPolarHBondContact O-CB 3.27Å; E672-H675 PolarHBondContact O-N 2.95Å; E672-H675 IonicContact OE2-CD2 3.92Å; E672-H675 PolarHBondContact OE2-CD2 2.89Å; E672-H675 VanDerWaalsContact OE2-CD2 3.25Å; E672-H675 IonicContact OE2-NE2 3.4Å; E672-Q676 PolarHBondContact O-N 3.35Å
673	Q	48.4	Very low	53.9	Low	159 Å²	159	89.8 Å²	89.8	74%	0.743	46%	0.459	S	S	*	.	H	α-helix	trans	-60	-29.1	-172.9	-66.3	179	-5.6	0	0	114.7	G671 H675	G671-Q673 PolarHBondContact O-N 3.18Å; Q673-H675 VanDerWaalsContact C-N 3.31Å
674	Q	43.9	Very low	54	Low	176 Å²	176	87.7 Å²	87.7	82%	0.822	45%	0.449	S	S	*	.	H	α-helix	trans	-73	-25.3	175.6	-70	-172.8	-5.7	0	0	112.7	E672	E672-Q674 VanDerWaalsContact C-N 3.27Å; E672-Q674 PolarHBondContact O-N 3.23Å
675	H	44.7	Very low	54.4	Low	93 Å²	93	87 Å²	87	43%	0.431	45%	0.445	S	S	.	.	H	α-helix	trans	-79.7	-27.2	177.7	-74.4	-44.2	0	0	0	112.6	E672 Q673 H677 H678 H679	E672-H675 HydrophobicContact CB-CB 4.35Å; E672-H675 WeakPolarHBondContact O-CB 3.27Å; E672-H675 PolarHBondContact O-N 2.95Å; E672-H675 IonicContact OE2-CD2 3.92Å; E672-H675 PolarHBondContact OE2-CD2 2.89Å; E672-H675 VanDerWaalsContact OE2-CD2 3.25Å; E672-H675 IonicContact OE2-NE2 3.4Å; Q673-H675 VanDerWaalsContact C-N 3.31Å; H675-H677 VanDerWaalsContact C-N 3.34Å; H675-H677 PolarHBondContact O-N 2.66Å; H675-H678 PolarHBondContact O-N 2.95Å; H675-H679 VanDerWaalsContact C-CD2 3.43Å; H675-H679 WeakPolarHBondContact CB-NE2 3.2Å; H675-H679 WeakPolarHBondContact O-CB 3.39Å; H675-H679 PolarHBondContact O-CD2 3.09Å; H675-H679 VanDerWaalsContact O-CG 3.26Å; H675-H679 PolarHBondContact O-N 3.03Å
676	Q	43.2	Very low	55	Low	101 Å²	101	81.8 Å²	81.8	47%	0.472	42%	0.422	S	S	.	.	H	α-helix	trans	-55.5	-40.9	-178.6	-67.7	-175.5	-10.6	0	0	114.3	E672 H680	E672-Q676 PolarHBondContact O-N 3.35Å; Q676-H680 PolarHBondContact O-N 2.78Å; Q676-H680 VanDerWaalsContact O-N 3.09Å
677	H	45.4	Very low	55.9	Low	147 Å²	147	80.9 Å²	80.9	68%	0.681	41%	0.409	S	S	*	.	H	α-helix	trans	-68.1	-50.7	177.5	-84.4	-68.2	0	0	0	112.4	H675 H679 H680 E681	H675-H677 VanDerWaalsContact C-N 3.34Å; H675-H677 PolarHBondContact O-N 2.66Å; H677-H679 VanDerWaalsContact C-N 3.3Å; H677-H679 PolarHBondContact O-N 2.94Å; H677-H680 PolarHBondContact O-N 2.92Å; H677-E681 PolarHBondContact O-N 2.9Å
678	H	46.3	Very low	57.1	Low	69 Å²	69	76.3 Å²	76.3	32%	0.319	39%	0.388	S	S	.	.	H	α-helix	trans	-63.7	-33.4	177.5	-76.8	-47.9	0	0	0	112.7	K500 H675 E681 Q682	K500-H678 PolarHBondContact O-CE1 2.76Å; H675-H678 PolarHBondContact O-N 2.95Å; H678-E681 IonicContact ND1-OE2 2.72Å; H678-Q682 WeakPolarHBondContact O-CB 3.24Å; H678-Q682 WeakPolarHBondContact O-CG 3.24Å; H678-Q682 PolarHBondContact O-N 3.04Å
679	H	51.1	Low	58.4	Low	31 Å²	31	74.3 Å²	74.3	14%	0.144	37%	0.371	C	S	.	.	H	α-helix	trans	-63.8	-44.8	172.6	-72.2	-47.6	0	0	0	111.9	E667 H675 H677 E681 Q682 Q683	E667-H679 IonicContact OE2-CE1 2.66Å; E667-H679 PolarHBondContact OE2-CE1 3.02Å; E667-H679 IonicContact OE2-ND1 3.96Å; H675-H679 VanDerWaalsContact C-CD2 3.43Å; H675-H679 WeakPolarHBondContact CB-NE2 3.2Å; H675-H679 WeakPolarHBondContact O-CB 3.39Å; H675-H679 PolarHBondContact O-CD2 3.09Å; H675-H679 VanDerWaalsContact O-CG 3.26Å; H675-H679 PolarHBondContact O-N 3.03Å; H677-H679 VanDerWaalsContact C-N 3.3Å; H677-H679 PolarHBondContact O-N 2.94Å; H679-E681 VanDerWaalsContact C-N 3.28Å; H679-E681 PolarHBondContact O-N 3.46Å; H679-Q682 PolarHBondContact O-N 3.45Å; H679-Q683 WeakPolarHBondContact O-CB 3.5Å; H679-Q683 PolarHBondContact O-N 2.84Å
680	H	52.5	Low	59.5	Low	123 Å²	123	67.7 Å²	67.7	57%	0.569	34%	0.341	S	S	*	.	H	α-helix	trans	-64.1	-34.9	-178.4	-156.1	-32.9	0	0	0	112.1	Q676 H677 Q684	Q676-H680 PolarHBondContact O-N 2.78Å; Q676-H680 VanDerWaalsContact O-N 3.09Å; H677-H680 PolarHBondContact O-N 2.92Å; H680-Q684 WeakPolarHBondContact O-CG 3.28Å; H680-Q684 PolarHBondContact O-N 3.08Å
681	E	53.9	Low	60.9	Low	44 Å²	44	63.7 Å²	63.7	21%	0.206	31%	0.313	C	S	.	.	H	α-helix	trans	-73.7	-44.8	175.7	-66.3	178.7	144.9	0	0	112.4	K500 H677 H678 H679 Q683 Q684 C685	K500-E681 HydrophobicContact CD-CG 4.38Å; K500-E681 WeakPolarHBondContact CD-OE1 3.46Å; K500-E681 IonicContact NZ-OE1 2.69Å; H677-E681 PolarHBondContact O-N 2.9Å; H678-E681 IonicContact ND1-OE2 2.72Å; H679-E681 VanDerWaalsContact C-N 3.28Å; H679-E681 PolarHBondContact O-N 3.46Å; E681-Q683 VanDerWaalsContact C-N 3.26Å; E681-Q683 PolarHBondContact O-N 2.8Å; E681-Q684 PolarHBondContact O-N 2.88Å; E681-C685 PolarHBondContact O-N 3.06Å; E681-C685 VanDerWaalsContact O-N 3.12Å; E681-C685 PolarHBondContact O-SG 2.98Å
682	Q	57.2	Low	62.7	Low	60 Å²	60	61.5 Å²	61.5	28%	0.28	29%	0.29	S	S	.	.	H	α-helix	trans	-59.8	-38.3	174.5	-75.4	-170.6	45.9	0	0	112.1	Q498 H678 H679 C685 V686	Q498-Q682 HydrophobicContact CG-CG 4.11Å; H678-Q682 WeakPolarHBondContact O-CB 3.24Å; H678-Q682 WeakPolarHBondContact O-CG 3.24Å; H678-Q682 PolarHBondContact O-N 3.04Å; H679-Q682 PolarHBondContact O-N 3.45Å; Q682-C685 WeakPolarHBondContact O-CB 2.97Å; Q682-C685 PolarHBondContact O-N 3.37Å; Q682-V686 PolarHBondContact O-N 3.2Å
683	Q	64	Low	64.6	Low	27 Å²	27	55.8 Å²	55.8	13%	0.126	26%	0.263	C	S	.	.	H	α-helix	trans	-66.7	-43.7	177.6	-172.8	55.9	43.4	0	0	111.6	S664 H679 E681 C685 V686 D687	S664-Q683 PolarHBondContact OG-OE1 2.81Å; H679-Q683 WeakPolarHBondContact O-CB 3.5Å; H679-Q683 PolarHBondContact O-N 2.84Å; E681-Q683 VanDerWaalsContact C-N 3.26Å; E681-Q683 PolarHBondContact O-N 2.8Å; Q683-C685 VanDerWaalsContact C-N 3.29Å; Q683-C685 PolarHBondContact O-N 3.15Å; Q683-V686 WeakPolarHBondContact O-CB 3.1Å; Q683-V686 PolarHBondContact O-N 2.96Å; Q683-V686 VanDerWaalsContact O-N 3.12Å; Q683-D687 VanDerWaalsContact NE2-CG 3.34Å; Q683-D687 PolarHBondContact NE2-OD1 3.34Å; Q683-D687 PolarHBondContact NE2-OD2 3.47Å; Q683-D687 VanDerWaalsContact O-CG 3.31Å; Q683-D687 PolarHBondContact O-N 3.39Å
684	Q	69.2	Low	66.6	Low	43 Å²	43	49 Å²	49	20%	0.201	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-36.8	174.6	-74.8	176	11	0	0	113	H680 E681 L688 N790	H680-Q684 WeakPolarHBondContact O-CG 3.28Å; H680-Q684 PolarHBondContact O-N 3.08Å; E681-Q684 PolarHBondContact O-N 2.88Å; Q684-L688 WeakPolarHBondContact O-CB 3.39Å; Q684-L688 PolarHBondContact O-N 2.97Å; Q684-N790 PolarHBondContact OE1-ND2 2.79Å; Q684-N790 PolarHBondContact OE1-OD1 3.33Å
685	C	67.8	Low	68.8	Low	3 Å²	3	40.6 Å²	40.6	2%	0.02	19%	0.192	C	C	.	.	H	α-helix	trans	-62	-44.9	174.3	-60.9	0	0	0	0	112	F494 L497 Q498 E681 Q682 Q683 L688 F689	F494-C685 HydrophobicContact CD1-CB 4.21Å; F494-C685 VanDerWaalsContact CE1-O 3.31Å; F494-C685 WeakPolarHBondContact CE1-O 3.47Å; L497-C685 WeakPolarHBondContact CB-SG 3.26Å; Q498-C685 HydrophobicContact CG-CB 4.28Å; E681-C685 PolarHBondContact O-N 3.06Å; E681-C685 VanDerWaalsContact O-N 3.12Å; E681-C685 PolarHBondContact O-SG 2.98Å; Q682-C685 WeakPolarHBondContact O-CB 2.97Å; Q682-C685 PolarHBondContact O-N 3.37Å; Q683-C685 VanDerWaalsContact C-N 3.29Å; Q683-C685 PolarHBondContact O-N 3.15Å; C685-L688 PolarHBondContact O-N 2.95Å; C685-F689 PolarHBondContact O-N 2.88Å; C685-F689 VanDerWaalsContact O-N 3.09Å
686	V	74.4	Confident	71	Confident	8 Å²	8	36.1 Å²	36.1	5%	0.048	17%	0.171	C	C	.	.	H	α-helix	trans	-65.5	-45.3	178.6	165.3	0	0	0	0	110.8	F657 Q682 Q683 L688 F689 L690	F657-V686 HydrophobicContact CB-CG1 4.24Å; F657-V686 HydrophobicContact CD1-CB 4.36Å; F657-V686 HydrophobicContact CD1-CG1 3.45Å; F657-V686 VanDerWaalsContact CD1-CG1 3.45Å; F657-V686 HydrophobicContact CD1-CG2 4.15Å; F657-V686 HydrophobicContact CE1-CG1 4.11Å; F657-V686 HydrophobicContact CE1-CG2 4.15Å; F657-V686 HydrophobicContact CG-CG1 4.12Å; Q682-V686 PolarHBondContact O-N 3.2Å; Q683-V686 WeakPolarHBondContact O-CB 3.1Å; Q683-V686 PolarHBondContact O-N 2.96Å; Q683-V686 VanDerWaalsContact O-N 3.12Å; V686-L688 VanDerWaalsContact C-N 3.32Å; V686-L688 PolarHBondContact O-N 3.23Å; V686-F689 PolarHBondContact O-N 2.58Å; V686-L690 WeakPolarHBondContact O-CB 3.26Å; V686-L690 PolarHBondContact O-N 3.48Å
687	D	80.8	Confident	73.2	Confident	42 Å²	42	31.3 Å²	31.3	23%	0.225	15%	0.149	C	C	.	.	H	α-helix	trans	-63.9	-37.6	178.5	-66.7	-33.7	0	0	0	111.3	Q683 T691 I786	Q683-D687 VanDerWaalsContact NE2-CG 3.34Å; Q683-D687 PolarHBondContact NE2-OD1 3.34Å; Q683-D687 PolarHBondContact NE2-OD2 3.47Å; Q683-D687 VanDerWaalsContact O-CG 3.31Å; Q683-D687 PolarHBondContact O-N 3.39Å; D687-T691 VanDerWaalsContact O-CB 3.27Å; D687-T691 WeakPolarHBondContact O-CB 3.27Å; D687-T691 PolarHBondContact O-N 2.86Å; D687-T691 PolarHBondContact O-OG1 3.05Å; D687-I786 HydrophobicContact CB-CD1 4.25Å
688	L	82.3	Confident	75.3	Confident	6 Å²	6	24.3 Å²	24.3	3%	0.031	12%	0.116	C	C	.	.	H	α-helix	trans	-61.8	-48.9	172.8	-175.4	70.4	0	0	0	111.9	L493 F494 L497 Q684 C685 V686 T691 C692 F783 I786 I787	L493-L688 HydrophobicContact CD2-CD2 3.51Å; F494-L688 HydrophobicContact CE1-CB 4.49Å; F494-L688 HydrophobicContact CE1-CD2 4.31Å; L497-L688 HydrophobicContact CD1-CD2 3.98Å; Q684-L688 WeakPolarHBondContact O-CB 3.39Å; Q684-L688 PolarHBondContact O-N 2.97Å; C685-L688 PolarHBondContact O-N 2.95Å; V686-L688 VanDerWaalsContact C-N 3.32Å; V686-L688 PolarHBondContact O-N 3.23Å; L688-T691 PolarHBondContact O-N 3.23Å; L688-C692 WeakPolarHBondContact O-CB 3.32Å; L688-C692 PolarHBondContact O-N 3.15Å; L688-F783 HydrophobicContact CD1-CD2 3.85Å; L688-F783 HydrophobicContact CD1-CE2 3.4Å; L688-F783 VanDerWaalsContact CD1-CE2 3.4Å; L688-F783 HydrophobicContact CD1-CZ 3.97Å; L688-F783 HydrophobicContact CG-CE2 4.21Å; L688-I786 HydrophobicContact CB-CG2 3.92Å; L688-I786 HydrophobicContact CD1-CG2 3.92Å; L688-I787 HydrophobicContact CD1-CG1 3.97Å
689	F	83.8	Confident	77.3	Confident	4 Å²	4	21 Å²	21	2%	0.018	10%	0.101	C	C	.	.	H	α-helix	trans	-58.3	-51.7	176.8	-179.2	-106.8	0	0	0	111.4	L487 F494 L653 F657 C685 V686 T691 C692 I693 I810	L487-F689 HydrophobicContact CD1-CD1 4.36Å; L487-F689 HydrophobicContact CD1-CE1 3.68Å; L487-F689 HydrophobicContact CD1-CE2 4.37Å; L487-F689 HydrophobicContact CD1-CZ 3.67Å; L487-F689 HydrophobicContact CD2-CE2 4.09Å; L487-F689 HydrophobicContact CD2-CZ 3.74Å; L487-F689 HydrophobicContact CG-CZ 4.34Å; F494-F689 HydrophobicContact CD2-CD2 4.5Å; F494-F689 HydrophobicContact CE1-CB 3.77Å; F494-F689 HydrophobicContact CE2-CB 4.01Å; F494-F689 AromaticContact CE2-CD2 3.41Å; F494-F689 HydrophobicContact CE2-CD2 3.41Å; F494-F689 VanDerWaalsContact CE2-CD2 3.41Å; F494-F689 HydrophobicContact CE2-CE2 4.25Å; F494-F689 HydrophobicContact CE2-CG 4.06Å; F494-F689 HydrophobicContact CZ-CB 3.41Å; F494-F689 VanDerWaalsContact CZ-CB 3.41Å; F494-F689 AromaticContact CZ-CD2 3.52Å; F494-F689 HydrophobicContact CZ-CD2 3.52Å; F494-F689 AromaticContact CZ-CG 3.91Å; F494-F689 HydrophobicContact CZ-CG 3.91Å; L653-F689 HydrophobicContact CD1-CE1 4.17Å; L653-F689 HydrophobicContact CD2-CE1 4.13Å; L653-F689 HydrophobicContact CG-CE1 4.43Å; F657-F689 HydrophobicContact CD2-CD1 4.39Å; F657-F689 HydrophobicContact CE1-CD1 4.46Å; F657-F689 AromaticContact CE2-CD1 3.52Å; F657-F689 HydrophobicContact CE2-CD1 3.52Å; F657-F689 AromaticContact CE2-CE1 3.51Å; F657-F689 HydrophobicContact CE2-CE1 3.51Å; F657-F689 AromaticContact CZ-CD1 3.53Å; F657-F689 HydrophobicContact CZ-CD1 3.53Å; F657-F689 AromaticContact CZ-CE1 3.8Å; F657-F689 HydrophobicContact CZ-CE1 3.8Å; C685-F689 PolarHBondContact O-N 2.88Å; C685-F689 VanDerWaalsContact O-N 3.09Å; V686-F689 PolarHBondContact O-N 2.58Å; F689-T691 VanDerWaalsContact C-N 3.29Å; F689-T691 PolarHBondContact O-N 2.89Å; F689-C692 WeakPolarHBondContact O-CA 3.29Å; F689-C692 VanDerWaalsContact O-CB 3.28Å; F689-C692 WeakPolarHBondContact O-CB 3.36Å; F689-C692 PolarHBondContact O-N 3.49Å; F689-C692 VanDerWaalsContact O-N 3.09Å; F689-I693 HydrophobicContact CD1-CG1 4.15Å; F689-I693 HydrophobicContact CD2-CG1 4.5Å; F689-I693 HydrophobicContact CE1-CD1 4.23Å; F689-I693 HydrophobicContact CE1-CG1 3.67Å; F689-I693 HydrophobicContact CE2-CD1 4.13Å; F689-I693 HydrophobicContact CE2-CG1 4.1Å; F689-I693 HydrophobicContact CZ-CD1 3.74Å; F689-I693 HydrophobicContact CZ-CG1 3.66Å; F689-I693 WeakPolarHBondContact O-CG1 3.47Å; F689-I693 PolarHBondContact O-N 3.42Å; F689-I810 HydrophobicContact CD2-CD1 3.64Å; F689-I810 HydrophobicContact CE2-CD1 3.88Å
690	L	85.4	Confident	79.1	Confident	28 Å²	28	19.6 Å²	19.6	15%	0.147	10%	0.095	C	C	.	.	H	α-helix	trans	-60	-42.1	-176.9	-176.7	61.6	0	0	0	111	L654 V686 I693 K694	L654-L690 HydrophobicContact CD2-CD1 3.68Å; V686-L690 WeakPolarHBondContact O-CB 3.26Å; V686-L690 PolarHBondContact O-N 3.48Å; L690-I693 PolarHBondContact O-N 3.31Å; L690-K694 WeakPolarHBondContact O-CG 3.4Å; L690-K694 PolarHBondContact O-N 3.35Å
691	T	86	Confident	80.6	Confident	6 Å²	6	13.8 Å²	13.8	4%	0.037	7%	0.068	C	C	.	.	H	α-helix	trans	-66.3	-37.8	176.5	-53.2	0	0	0	0	111.9	D687 L688 F689 I693 K694 L695 V779 Q782 F783	D687-T691 VanDerWaalsContact O-CB 3.27Å; D687-T691 WeakPolarHBondContact O-CB 3.27Å; D687-T691 PolarHBondContact O-N 2.86Å; D687-T691 PolarHBondContact O-OG1 3.05Å; L688-T691 PolarHBondContact O-N 3.23Å; F689-T691 VanDerWaalsContact C-N 3.29Å; F689-T691 PolarHBondContact O-N 2.89Å; T691-I693 VanDerWaalsContact C-N 3.34Å; T691-I693 PolarHBondContact O-N 2.93Å; T691-K694 PolarHBondContact O-N 2.98Å; T691-L695 WeakPolarHBondContact O-CB 3.47Å; T691-L695 PolarHBondContact O-N 2.79Å; T691-V779 HydrophobicContact CG2-CG1 3.85Å; T691-Q782 HydrophobicContact CG2-CB 4.4Å; T691-F783 HydrophobicContact CG2-CB 3.74Å; T691-F783 HydrophobicContact CG2-CD2 3.83Å; T691-F783 HydrophobicContact CG2-CG 4.28Å
692	C	88.1	Confident	82.1	Confident	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.1	-39.7	172	-122.5	0	0	0	0	112.4	L688 F689 N696 F783 W809	L688-C692 WeakPolarHBondContact O-CB 3.32Å; L688-C692 PolarHBondContact O-N 3.15Å; F689-C692 WeakPolarHBondContact O-CA 3.29Å; F689-C692 VanDerWaalsContact O-CB 3.28Å; F689-C692 WeakPolarHBondContact O-CB 3.36Å; F689-C692 PolarHBondContact O-N 3.49Å; F689-C692 VanDerWaalsContact O-N 3.09Å; C692-N696 PolarHBondContact O-N 3.4Å; C692-F783 HydrophobicContact CB-CE2 4.02Å; C692-F783 WeakPolarHBondContact SG-CE2 3.21Å; C692-F783 VanDerWaalsContact SG-CZ 3.51Å; C692-W809 HydrophobicContact CB-CH2 3.88Å; C692-W809 HydrophobicContact CB-CZ3 3.89Å
693	I	88.2	Confident	83.3	Confident	1 Å²	1	10.7 Å²	10.7	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-70.1	-44.9	176	-64.5	-68.6	0	0	0	111.6	L650 L653 F689 L690 T691 L695 N696 V697 L722 L724 W809	L650-I693 HydrophobicContact CD1-CG2 4.25Å; L653-I693 HydrophobicContact CD2-CD1 4.3Å; L653-I693 HydrophobicContact CD2-CG1 4.15Å; L653-I693 HydrophobicContact CD2-CG2 3.98Å; F689-I693 HydrophobicContact CD1-CG1 4.15Å; F689-I693 HydrophobicContact CD2-CG1 4.5Å; F689-I693 HydrophobicContact CE1-CD1 4.23Å; F689-I693 HydrophobicContact CE1-CG1 3.67Å; F689-I693 HydrophobicContact CE2-CD1 4.13Å; F689-I693 HydrophobicContact CE2-CG1 4.1Å; F689-I693 HydrophobicContact CZ-CD1 3.74Å; F689-I693 HydrophobicContact CZ-CG1 3.66Å; F689-I693 WeakPolarHBondContact O-CG1 3.47Å; F689-I693 PolarHBondContact O-N 3.42Å; L690-I693 PolarHBondContact O-N 3.31Å; T691-I693 VanDerWaalsContact C-N 3.34Å; T691-I693 PolarHBondContact O-N 2.93Å; I693-L695 VanDerWaalsContact C-N 3.28Å; I693-L695 PolarHBondContact O-N 2.85Å; I693-N696 PolarHBondContact O-N 2.83Å; I693-N696 VanDerWaalsContact O-N 3.12Å; I693-V697 HydrophobicContact CG2-CG2 4.39Å; I693-V697 WeakPolarHBondContact O-CG2 3.48Å; I693-V697 PolarHBondContact O-N 3.18Å; I693-L722 HydrophobicContact CG2-CD1 3.87Å; I693-L724 HydrophobicContact CD1-CD2 4.19Å; I693-W809 HydrophobicContact CD1-CH2 3.89Å; I693-W809 HydrophobicContact CD1-CZ2 3.9Å
694	K	90.2	Very high	84.1	Confident	16 Å²	16	10.3 Å²	10.3	7%	0.07	6%	0.055	C	C	.	.	H	α-helix	trans	-52.1	-50	172.9	-69.4	179.5	-168.5	-161.9	0	110.5	L690 T691 N696 V697 L698 L765 I767 V779	L690-K694 WeakPolarHBondContact O-CG 3.4Å; L690-K694 PolarHBondContact O-N 3.35Å; T691-K694 PolarHBondContact O-N 2.98Å; K694-N696 VanDerWaalsContact C-N 3.35Å; K694-N696 PolarHBondContact O-N 3.38Å; K694-V697 PolarHBondContact O-N 2.79Å; K694-L698 WeakPolarHBondContact O-CG 3.43Å; K694-L698 PolarHBondContact O-N 3.09Å; K694-L698 VanDerWaalsContact O-N 3.07Å; K694-L765 WeakPolarHBondContact CD-O 3.32Å; K694-L765 WeakPolarHBondContact CE-O 3.49Å; K694-L765 HydrophobicContact CG-CB 4.38Å; K694-L765 HydrophobicContact CG-CD2 4.17Å; K694-L765 PolarHBondContact NZ-O 3.36Å; K694-I767 HydrophobicContact CD-CD1 4.44Å; K694-I767 HydrophobicContact CD-CG1 4.48Å; K694-V779 HydrophobicContact CB-CG1 4.17Å; K694-V779 HydrophobicContact CB-CG2 4.33Å
695	L	90.9	Very high	84.5	Confident	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.3	-43.9	178.2	-175.9	59.6	0	0	0	111.9	L606 T691 I693 L699 I776 V779 L780 I817	L606-L695 HydrophobicContact CD1-CD2 4.29Å; T691-L695 WeakPolarHBondContact O-CB 3.47Å; T691-L695 PolarHBondContact O-N 2.79Å; I693-L695 VanDerWaalsContact C-N 3.28Å; I693-L695 PolarHBondContact O-N 2.85Å; L695-L699 HydrophobicContact CD1-CD1 3.94Å; L695-L699 HydrophobicContact CD1-CG 4.11Å; L695-L699 HydrophobicContact CG-CD1 3.88Å; L695-L699 HydrophobicContact CG-CG 4.44Å; L695-L699 WeakPolarHBondContact O-CB 3.35Å; L695-L699 VanDerWaalsContact O-CG 3.29Å; L695-L699 WeakPolarHBondContact O-CG 3.33Å; L695-L699 PolarHBondContact O-N 2.92Å; L695-I776 HydrophobicContact CD1-CG2 4.01Å; L695-V779 HydrophobicContact CB-CG1 3.77Å; L695-V779 HydrophobicContact CD1-CG1 4.29Å; L695-L780 HydrophobicContact CD1-CD2 3.84Å; L695-L780 HydrophobicContact CD1-CG 3.97Å; L695-L780 HydrophobicContact CD2-CD2 3.78Å; L695-L780 HydrophobicContact CG-CD2 4.49Å; L695-I817 HydrophobicContact CD2-CD1 4.06Å
696	N	90.5	Very high	84.2	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.6	-45.6	178.2	-168.6	41.3	0	0	0	112.7	I602 C692 I693 K694 L699 S700 C729 T731	I602-N696 WeakPolarHBondContact CB-OD1 3.47Å; I602-N696 HydrophobicContact CD1-CB 3.55Å; I602-N696 VanDerWaalsContact CD1-OD1 3.32Å; I602-N696 WeakPolarHBondContact CD1-OD1 3.35Å; I602-N696 HydrophobicContact CG1-CB 4.31Å; I602-N696 VanDerWaalsContact CG1-OD1 3.26Å; I602-N696 WeakPolarHBondContact CG1-OD1 3.39Å; C692-N696 PolarHBondContact O-N 3.4Å; I693-N696 PolarHBondContact O-N 2.83Å; I693-N696 VanDerWaalsContact O-N 3.12Å; K694-N696 VanDerWaalsContact C-N 3.35Å; K694-N696 PolarHBondContact O-N 3.38Å; N696-L699 PolarHBondContact O-N 3.29Å; N696-S700 WeakPolarHBondContact O-CB 3.28Å; N696-S700 PolarHBondContact O-N 3.17Å; N696-S700 PolarHBondContact O-OG 3.44Å; N696-C729 WeakPolarHBondContact ND2-CB 3.42Å; N696-C729 PolarHBondContact ND2-O 3.36Å; N696-C729 PolarHBondContact ND2-SG 3.15Å; N696-C729 PolarHBondContact OD1-O 3.26Å; N696-T731 PolarHBondContact ND2-OG1 3.3Å; N696-T731 VanDerWaalsContact ND2-OG1 3.17Å
697	V	89.3	Confident	83.2	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.9	-46.9	-179.8	172.6	0	0	0	0	110.3	L650 I693 K694 S700 L701 L722 T731 L761 L765	L650-V697 HydrophobicContact CD1-CG2 4.28Å; L650-V697 HydrophobicContact CD2-CG1 4.48Å; L650-V697 HydrophobicContact CD2-CG2 4.48Å; I693-V697 HydrophobicContact CG2-CG2 4.39Å; I693-V697 WeakPolarHBondContact O-CG2 3.48Å; I693-V697 PolarHBondContact O-N 3.18Å; K694-V697 PolarHBondContact O-N 2.79Å; V697-S700 PolarHBondContact O-N 3.2Å; V697-L701 VanDerWaalsContact O-CB 3.25Å; V697-L701 WeakPolarHBondContact O-CB 3.25Å; V697-L701 PolarHBondContact O-N 2.78Å; V697-L722 HydrophobicContact CG2-CD2 4.03Å; V697-T731 HydrophobicContact CG2-CG2 4.29Å; V697-L761 HydrophobicContact CG1-CD2 4.37Å; V697-L765 HydrophobicContact CG1-CD1 4.4Å
698	L	89.3	Confident	81.6	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.1	-44.7	179.2	-64.7	172.8	0	0	0	112.7	K694 S700 L701 S702 L762 L765 I767 M772 I776 V779	K694-L698 WeakPolarHBondContact O-CG 3.43Å; K694-L698 PolarHBondContact O-N 3.09Å; K694-L698 VanDerWaalsContact O-N 3.07Å; L698-S700 VanDerWaalsContact C-N 3.35Å; L698-S700 PolarHBondContact O-N 3.17Å; L698-L701 PolarHBondContact O-N 3.16Å; L698-S702 WeakPolarHBondContact O-CB 3.35Å; L698-S702 PolarHBondContact O-N 3.01Å; L698-L762 HydrophobicContact CD2-CD2 3.76Å; L698-L765 HydrophobicContact CD2-CD1 4.3Å; L698-L765 HydrophobicContact CG-CD1 4.5Å; L698-I767 HydrophobicContact CD1-CD1 3.82Å; L698-M772 HydrophobicContact CB-SD 4.35Å; L698-M772 HydrophobicContact CD2-SD 3.8Å; L698-I776 HydrophobicContact CB-CD1 4.21Å; L698-I776 HydrophobicContact CB-CG1 3.58Å; L698-I776 HydrophobicContact CD1-CG1 4.1Å; L698-I776 HydrophobicContact CG-CG1 4.44Å; L698-V779 HydrophobicContact CD1-CG2 4.01Å
699	L	88.8	Confident	80.2	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.8	-39.9	176	-73.6	174.4	0	0	0	111.9	I602 L605 L606 W609 T615 L695 N696 E703 I776	I602-L699 HydrophobicContact CG1-CD1 4.5Å; L605-L699 HydrophobicContact CB-CB 4.12Å; L605-L699 HydrophobicContact CB-CD1 4.35Å; L605-L699 HydrophobicContact CD1-CB 4.29Å; L606-L699 HydrophobicContact CB-CD1 4.08Å; L606-L699 HydrophobicContact CD1-CD1 4.41Å; W609-L699 HydrophobicContact CB-CD2 3.95Å; W609-L699 HydrophobicContact CD2-CD2 4.08Å; W609-L699 HydrophobicContact CE3-CD2 4.05Å; W609-L699 HydrophobicContact CG-CD2 4.03Å; T615-L699 HydrophobicContact CG2-CD2 4Å; L695-L699 HydrophobicContact CD1-CD1 3.94Å; L695-L699 HydrophobicContact CD1-CG 4.11Å; L695-L699 HydrophobicContact CG-CD1 3.88Å; L695-L699 HydrophobicContact CG-CG 4.44Å; L695-L699 WeakPolarHBondContact O-CB 3.35Å; L695-L699 VanDerWaalsContact O-CG 3.29Å; L695-L699 WeakPolarHBondContact O-CG 3.33Å; L695-L699 PolarHBondContact O-N 2.92Å; N696-L699 PolarHBondContact O-N 3.29Å; L699-E703 PolarHBondContact O-N 2.83Å; L699-E703 VanDerWaalsContact O-N 3.14Å; L699-I776 HydrophobicContact CD2-CD1 4.37Å; L699-I776 HydrophobicContact CD2-CG2 4.15Å
700	S	87.6	Confident	78.6	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-64.6	-44.2	176.2	-59.5	0	0	0	0	111.3	N696 V697 L698 E703 C704 T731	N696-S700 WeakPolarHBondContact O-CB 3.28Å; N696-S700 PolarHBondContact O-N 3.17Å; N696-S700 PolarHBondContact O-OG 3.44Å; V697-S700 PolarHBondContact O-N 3.2Å; L698-S700 VanDerWaalsContact C-N 3.35Å; L698-S700 PolarHBondContact O-N 3.17Å; S700-E703 PolarHBondContact O-N 3.14Å; S700-C704 PolarHBondContact O-N 3.49Å; S700-C704 PolarHBondContact O-SG 3.02Å; S700-T731 WeakPolarHBondContact OG-CB 3.44Å; S700-T731 PolarHBondContact OG-OG1 3.01Å; S700-T731 VanDerWaalsContact OG-OG1 3.14Å
701	L	85.8	Confident	77.5	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.4	-42.1	178.4	-177.6	52	0	0	0	111.5	V697 L698 E703 C704 L705 L713 L715 F733 L758 L761 M772	V697-L701 VanDerWaalsContact O-CB 3.25Å; V697-L701 WeakPolarHBondContact O-CB 3.25Å; V697-L701 PolarHBondContact O-N 2.78Å; L698-L701 PolarHBondContact O-N 3.16Å; L701-E703 VanDerWaalsContact C-N 3.34Å; L701-E703 PolarHBondContact O-N 2.69Å; L701-C704 PolarHBondContact O-N 3.12Å; L701-C704 VanDerWaalsContact O-N 3.17Å; L701-L705 HydrophobicContact CD1-CD1 3.9Å; L701-L705 HydrophobicContact CD1-CD2 4.28Å; L701-L705 HydrophobicContact CD1-CG 3.89Å; L701-L705 HydrophobicContact CG-CD1 3.93Å; L701-L705 HydrophobicContact CG-CG 4.4Å; L701-L705 VanDerWaalsContact O-CG 3.32Å; L701-L705 WeakPolarHBondContact O-CG 3.5Å; L701-L705 PolarHBondContact O-N 3.43Å; L701-L705 VanDerWaalsContact O-N 3.09Å; L701-L713 HydrophobicContact CD1-CD1 3.66Å; L701-L715 HydrophobicContact CD1-CD2 3.72Å; L701-L715 HydrophobicContact CD2-CD1 4.15Å; L701-L715 HydrophobicContact CD2-CD2 3.95Å; L701-F733 HydrophobicContact CB-CE1 4.15Å; L701-F733 HydrophobicContact CB-CE2 4.46Å; L701-F733 HydrophobicContact CB-CZ 3.72Å; L701-F733 HydrophobicContact CD1-CD1 4.48Å; L701-F733 HydrophobicContact CD1-CE1 4.13Å; L701-F733 HydrophobicContact CD1-CZ 4.28Å; L701-L758 HydrophobicContact CD2-CD1 4.42Å; L701-L761 HydrophobicContact CD2-CD2 3.6Å; L701-M772 HydrophobicContact CB-CE 4.41Å; L701-M772 HydrophobicContact CD2-CE 3.57Å; L701-M772 HydrophobicContact CG-CE 3.71Å
702	S	84.5	Confident	76.7	Confident	13 Å²	13	35.8 Å²	35.8	9%	0.091	18%	0.179	C	C	.	.	H	α-helix	trans	-58.2	-41.1	173.5	172.1	0	0	0	0	112.6	T615 L698	T615-S702 VanDerWaalsContact CG2-OG 3.29Å; T615-S702 WeakPolarHBondContact CG2-OG 3.46Å; T615-S702 PolarHBondContact OG1-OG 3.12Å; L698-S702 WeakPolarHBondContact O-CB 3.35Å; L698-S702 PolarHBondContact O-N 3.01Å
703	E	83.3	Confident	76.1	Confident	26 Å²	26	36.3 Å²	36.3	12%	0.121	18%	0.182	C	C	.	.	H	α-helix	trans	-67.5	-40.9	174	-177.6	172	-143.5	0	0	112.4	P598 T599 K600 L605 L699 S700 L701 L705	P598-E703 VanDerWaalsContact CA-OE2 3.24Å; P598-E703 WeakPolarHBondContact CA-OE2 3.41Å; P598-E703 WeakPolarHBondContact CB-OE2 3.22Å; T599-E703 PolarHBondContact N-OE2 3.49Å; T599-E703 PolarHBondContact OG1-OE1 3.49Å; K600-E703 WeakPolarHBondContact CD-OE1 3.49Å; K600-E703 VanDerWaalsContact CE-OE1 3.3Å; K600-E703 WeakPolarHBondContact CE-OE1 3.42Å; K600-E703 VanDerWaalsContact CG-OE1 3.28Å; K600-E703 WeakPolarHBondContact CG-OE1 3.29Å; K600-E703 PolarHBondContact N-OE2 2.97Å; K600-E703 IonicContact NZ-OE1 3.55Å; K600-E703 PolarHBondContact NZ-OE1 3.38Å; L605-E703 HydrophobicContact CD2-CB 3.8Å; L605-E703 HydrophobicContact CD2-CG 4.3Å; L699-E703 PolarHBondContact O-N 2.83Å; L699-E703 VanDerWaalsContact O-N 3.14Å; S700-E703 PolarHBondContact O-N 3.14Å; L701-E703 VanDerWaalsContact C-N 3.34Å; L701-E703 PolarHBondContact O-N 2.69Å; E703-L705 PolarHBondContact O-N 2.87Å
704	C	80.7	Confident	75.6	Confident	20 Å²	20	37.1 Å²	37.1	14%	0.135	19%	0.187	C	C	.	.	H	α-helix	trans	-69.5	-29.4	-174.9	-74	0	0	0	0	114.5	F597 S700 L701 D706 L713	F597-C704 VanDerWaalsContact C-SG 3.54Å; S700-C704 PolarHBondContact O-N 3.49Å; S700-C704 PolarHBondContact O-SG 3.02Å; L701-C704 PolarHBondContact O-N 3.12Å; L701-C704 VanDerWaalsContact O-N 3.17Å; C704-D706 VanDerWaalsContact C-N 3.34Å; C704-D706 PolarHBondContact O-N 3.36Å; C704-L713 HydrophobicContact CB-CD1 3.96Å
705	L	76.9	Confident	75.2	Confident	83 Å²	83	37 Å²	37	44%	0.435	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-13.3	-175	-72.5	169.2	0	0	0	114.7	L701 E703 K707 L713 M772	L701-L705 HydrophobicContact CD1-CD1 3.9Å; L701-L705 HydrophobicContact CD1-CD2 4.28Å; L701-L705 HydrophobicContact CD1-CG 3.89Å; L701-L705 HydrophobicContact CG-CD1 3.93Å; L701-L705 HydrophobicContact CG-CG 4.4Å; L701-L705 VanDerWaalsContact O-CG 3.32Å; L701-L705 WeakPolarHBondContact O-CG 3.5Å; L701-L705 PolarHBondContact O-N 3.43Å; L701-L705 VanDerWaalsContact O-N 3.09Å; E703-L705 PolarHBondContact O-N 2.87Å; L705-K707 PolarHBondContact O-N 2.98Å; L705-L713 HydrophobicContact CD2-CD1 4.08Å; L705-L713 HydrophobicContact CG-CD1 4.5Å; L705-M772 HydrophobicContact CD1-CE 4.13Å
706	D	60.9	Low	74.7	Confident	74 Å²	74	40.5 Å²	40.5	40%	0.396	21%	0.205	S	C	.	.	S	Bend	trans	-94.9	17.9	-152.3	-135.4	-39	0	0	0	116.7	K616 C704	K616-D706 WeakPolarHBondContact CE-OD1 3.46Å; K616-D706 WeakPolarHBondContact CE-OD2 3.41Å; K616-D706 IonicContact NZ-OD1 2.62Å; K616-D706 PolarHBondContact NZ-OD1 3.07Å; K616-D706 IonicContact NZ-OD2 3.96Å; K616-D706 PolarHBondContact NZ-OD2 3.33Å; C704-D706 VanDerWaalsContact C-N 3.34Å; C704-D706 PolarHBondContact O-N 3.36Å
707	K	53.3	Low	74.2	Confident	158 Å²	158	41.7 Å²	41.7	69%	0.687	21%	0.212	S	C	*	.	S	Bend	trans	-131.7	-48	179.5	-73.4	-170.5	-177.8	174.1	0	115.2	E590 L705	E590-K707 IonicContact OE1-NZ 2.73Å; L705-K707 PolarHBondContact O-N 2.98Å
708	D	47.8	Very low	73.8	Confident	57 Å²	57	46 Å²	46	31%	0.305	23%	0.232	S	C	.	.			trans	-112.1	96.9	-174.4	-65.5	-47.6	0	0	0	109.9	R596 S710 I711	R596-D708 IonicContact CZ-OD2 3.47Å; R596-D708 IonicContact NH2-OD2 3.37Å; R596-D708 PolarHBondContact NH2-OD2 3.17Å; D708-S710 PolarHBondContact O-N 2.96Å; D708-I711 HydrophobicContact CB-CB 4.17Å; D708-I711 HydrophobicContact CB-CD1 3.61Å; D708-I711 HydrophobicContact CB-CG1 3.64Å; D708-I711 PolarHBondContact O-N 2.86Å; D708-I711 WeakPolarHBondContact OD2-CD1 3.37Å
709	K	52.3	Low	73.5	Confident	191 Å²	191	48.6 Å²	48.6	83%	0.83	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-21.2	172.6	-73.6	-169.8	176.4	-172.1	0	112.9	I711 K754	K709-I711 VanDerWaalsContact C-N 3.33Å; K709-K754 PolarHBondContact O-NZ 3.04Å
710	S	51.7	Low	73.3	Confident	69 Å²	69	48.6 Å²	48.6	48%	0.483	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-3.3	177.7	52.7	0	0	0	0	115	D708	D708-S710 PolarHBondContact O-N 2.96Å
711	I	60.5	Low	73.3	Confident	18 Å²	18	48.6 Å²	48.6	9%	0.092	24%	0.244	C	C	.	.			trans	-96.9	125.2	178.2	-67.6	-177.8	0	0	0	109.8	D708 K709 L713 Q735	D708-I711 HydrophobicContact CB-CB 4.17Å; D708-I711 HydrophobicContact CB-CD1 3.61Å; D708-I711 HydrophobicContact CB-CG1 3.64Å; D708-I711 PolarHBondContact O-N 2.86Å; D708-I711 WeakPolarHBondContact OD2-CD1 3.37Å; K709-I711 VanDerWaalsContact C-N 3.33Å; I711-L713 HydrophobicContact CG2-CD2 3.87Å; I711-L713 HydrophobicContact CG2-CG 4.31Å; I711-Q735 HydrophobicContact CG2-CG 4.17Å
712	Q	69.2	Low	73.4	Confident	24 Å²	24	48.6 Å²	48.6	11%	0.112	24%	0.244	C	C	.	.			trans	-107.5	111.6	175.7	-62.7	174.4	5.4	0	0	105.9	Q735 Y736 E750	Q712-Q735 WeakPolarHBondContact O-CG 3.25Å; Q712-Y736 HydrophobicContact CB-CD2 3.78Å; Q712-Y736 HydrophobicContact CB-CG 4.36Å; Q712-Y736 PolarHBondContact O-N 2.95Å; Q712-E750 PolarHBondContact NE2-OE1 3.44Å
713	L	76.8	Confident	73.4	Confident	12 Å²	12	48 Å²	48	6%	0.063	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	137.6	175.1	-62	177.3	0	0	0	109.1	R596 L701 C704 L705 I711 L715 F733 K734 Y736	R596-L713 HydrophobicContact CB-CD2 3.81Å; R596-L713 HydrophobicContact CG-CD2 3.94Å; L701-L713 HydrophobicContact CD1-CD1 3.66Å; C704-L713 HydrophobicContact CB-CD1 3.96Å; L705-L713 HydrophobicContact CD2-CD1 4.08Å; L705-L713 HydrophobicContact CG-CD1 4.5Å; I711-L713 HydrophobicContact CG2-CD2 3.87Å; I711-L713 HydrophobicContact CG2-CG 4.31Å; L713-L715 HydrophobicContact CB-CD2 3.9Å; L713-L715 PolarHBondContact O-N 2.71Å; L713-F733 HydrophobicContact CD1-CB 4.43Å; L713-F733 HydrophobicContact CD1-CG 4.43Å; L713-F733 HydrophobicContact CD2-CB 4.2Å; L713-K734 WeakPolarHBondContact CA-O 3.38Å; L713-Y736 WeakPolarHBondContact O-CD2 3.44Å; L713-Y736 WeakPolarHBondContact O-CE2 3.45Å
714	D	77.5	Confident	73.4	Confident	17 Å²	17	46.7 Å²	46.7	9%	0.091	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	113.7	171.1	-165.6	-31.5	0	0	0	108.8	I716 H719 K734 Y736	D714-I716 WeakPolarHBondContact OD1-CB 3.47Å; D714-I716 WeakPolarHBondContact OD1-CD1 3.32Å; D714-I716 WeakPolarHBondContact OD1-CG1 3.23Å; D714-I716 PolarHBondContact OD1-N 2.93Å; D714-I716 VanDerWaalsContact OD1-N 3.07Å; D714-H719 HydrophobicContact CB-CB 4.25Å; D714-H719 IonicContact OD1-ND1 2.8Å; D714-H719 PolarHBondContact OD1-ND1 3.42Å; D714-H719 IonicContact OD2-CE1 2.69Å; D714-H719 IonicContact OD2-CG 3.97Å; D714-H719 IonicContact OD2-ND1 2.88Å; D714-H719 PolarHBondContact OD2-ND1 2.81Å; D714-K734 HydrophobicContact CB-CB 4.29Å; D714-K734 PolarHBondContact N-O 3.14Å; D714-Y736 VanDerWaalsContact CA-CE2 3.48Å; D714-Y736 HydrophobicContact CB-CD1 4.41Å; D714-Y736 HydrophobicContact CB-CD2 4.27Å; D714-Y736 HydrophobicContact CB-CE1 4.15Å; D714-Y736 HydrophobicContact CB-CE2 4.04Å; D714-Y736 HydrophobicContact CB-CG 4.45Å
715	L	80.7	Confident	73.5	Confident	14 Å²	14	45.8 Å²	45.8	7%	0.073	23%	0.228	C	C	.	.			trans	-100.6	9.3	-174.5	-55.8	-175.3	0	0	0	112.6	L701 L713 F733 N757 L758 L761	L701-L715 HydrophobicContact CD1-CD2 3.72Å; L701-L715 HydrophobicContact CD2-CD1 4.15Å; L701-L715 HydrophobicContact CD2-CD2 3.95Å; L713-L715 HydrophobicContact CB-CD2 3.9Å; L713-L715 PolarHBondContact O-N 2.71Å; L715-F733 HydrophobicContact CD2-CD1 4.18Å; L715-F733 HydrophobicContact CD2-CE1 4.48Å; L715-N757 HydrophobicContact CB-CB 4.28Å; L715-N757 HydrophobicContact CD1-CB 4.18Å; L715-N757 HydrophobicContact CG-CB 4.38Å; L715-L758 HydrophobicContact CD1-CB 4.44Å; L715-L761 HydrophobicContact CB-CB 4.16Å; L715-L761 HydrophobicContact CB-CD2 4.22Å; L715-L761 HydrophobicContact CD1-CD2 4.43Å; L715-L761 HydrophobicContact CD2-CD2 4.38Å
716	I	81.1	Confident	73.6	Confident	74 Å²	74	42.3 Å²	42.3	38%	0.379	21%	0.21	S	C	.	.			trans	-62.5	130.6	171.8	-62.5	169.3	0	0	0	108.4	D714 E718 H719 I720	D714-I716 WeakPolarHBondContact OD1-CB 3.47Å; D714-I716 WeakPolarHBondContact OD1-CD1 3.32Å; D714-I716 WeakPolarHBondContact OD1-CG1 3.23Å; D714-I716 PolarHBondContact OD1-N 2.93Å; D714-I716 VanDerWaalsContact OD1-N 3.07Å; I716-E718 HydrophobicContact CG2-CB 4.07Å; I716-E718 HydrophobicContact CG2-CG 4.26Å; I716-E718 PolarHBondContact O-N 2.86Å; I716-H719 WeakPolarHBondContact O-CA 3.36Å; I716-H719 PolarHBondContact O-N 2.98Å; I716-I720 PolarHBondContact O-N 3.02Å
717	P	80	Confident	74.5	Confident	24 Å²	24	38.9 Å²	38.9	16%	0.156	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-17.2	-178.5	-29.4	36.6	0	0	0	116	L650 K651 A764	L650-P717 HydrophobicContact CB-CB 4.28Å; L650-P717 WeakPolarHBondContact CB-O 3.04Å; L650-P717 HydrophobicContact CD2-CB 4.17Å; L650-P717 HydrophobicContact CG-CB 4.18Å; L650-P717 PolarHBondContact N-O 2.82Å; K651-P717 HydrophobicContact CB-CB 4Å; K651-P717 PolarHBondContact N-O 2.8Å; P717-A764 HydrophobicContact CG-CB 3.77Å
718	E	81.2	Confident	76	Confident	91 Å²	91	31.7 Å²	31.7	43%	0.425	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-26.5	172	-61.2	-178.8	-172.6	0	0	113	K651 I716	K651-E718 HydrophobicContact CB-CG 4.03Å; K651-E718 HydrophobicContact CD-CG 3.39Å; K651-E718 VanDerWaalsContact CD-OE1 3.23Å; K651-E718 WeakPolarHBondContact CD-OE1 3.48Å; K651-E718 WeakPolarHBondContact CE-OE1 3.34Å; K651-E718 HydrophobicContact CG-CG 4.33Å; K651-E718 IonicContact NZ-OE1 3.78Å; K651-E718 PolarHBondContact NZ-OE1 2.74Å; I716-E718 HydrophobicContact CG2-CB 4.07Å; I716-E718 HydrophobicContact CG2-CG 4.26Å; I716-E718 PolarHBondContact O-N 2.86Å
719	H	82.8	Confident	77.9	Confident	55 Å²	55	29.1 Å²	29.1	26%	0.255	15%	0.147	S	C	.	.	S	Bend	trans	-100.7	7.9	-176.8	-62	162.4	0	0	0	113	W567 D714 I716 K734	W567-H719 WeakPolarHBondContact CH2-O 3.42Å; W567-H719 VanDerWaalsContact CZ2-O 3.29Å; W567-H719 WeakPolarHBondContact CZ2-O 3.15Å; D714-H719 HydrophobicContact CB-CB 4.25Å; D714-H719 IonicContact OD1-ND1 2.8Å; D714-H719 PolarHBondContact OD1-ND1 3.42Å; D714-H719 IonicContact OD2-CE1 2.69Å; D714-H719 IonicContact OD2-CG 3.97Å; D714-H719 IonicContact OD2-ND1 2.88Å; D714-H719 PolarHBondContact OD2-ND1 2.81Å; I716-H719 WeakPolarHBondContact O-CA 3.36Å; I716-H719 PolarHBondContact O-N 2.98Å; H719-K734 HydrophobicContact CB-CB 4.38Å; H719-K734 HydrophobicContact CB-CD 4.12Å; H719-K734 HydrophobicContact CB-CG 4.36Å; H719-K734 PolarHBondContact O-N 3.07Å
720	I	85.2	Confident	79.6	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.5	170.1	-59.8	173.8	0	0	0	108.1	T649 L650 I716 T731 I732 F733 L761	T649-I720 WeakPolarHBondContact CA-O 3.44Å; L650-I720 HydrophobicContact CB-CB 3.96Å; L650-I720 HydrophobicContact CB-CG2 4.04Å; L650-I720 HydrophobicContact CD2-CB 4.31Å; L650-I720 HydrophobicContact CD2-CD1 3.87Å; L650-I720 HydrophobicContact CD2-CG2 4.25Å; L650-I720 PolarHBondContact N-O 2.85Å; I716-I720 PolarHBondContact O-N 3.02Å; I720-T731 HydrophobicContact CG2-CG2 3.62Å; I720-I732 WeakPolarHBondContact CA-O 3.37Å; I720-F733 HydrophobicContact CD1-CD1 4.24Å; I720-F733 HydrophobicContact CD1-CE1 4.12Å; I720-F733 HydrophobicContact CG1-CD1 3.94Å; I720-F733 HydrophobicContact CG1-CE1 4.23Å; I720-F733 HydrophobicContact CG2-CE1 4.34Å; I720-L761 HydrophobicContact CD1-CD1 3.72Å; I720-L761 HydrophobicContact CD1-CD2 4.19Å
721	L	87.5	Confident	81.3	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	133.4	177.3	-179.8	71.4	0	0	0	110.2	I564 W567 I570 A647 I723 I732	I564-L721 HydrophobicContact CD1-CD2 3.97Å; I564-L721 HydrophobicContact CG2-CD2 4.37Å; W567-L721 HydrophobicContact CD2-CB 4.25Å; W567-L721 HydrophobicContact CD2-CD2 4.01Å; W567-L721 HydrophobicContact CE3-CD2 4.43Å; W567-L721 HydrophobicContact CG-CD2 4.12Å; W567-L721 HydrophobicContact CH2-CB 3.84Å; W567-L721 HydrophobicContact CZ2-CB 3.41Å; W567-L721 VanDerWaalsContact CZ2-CB 3.41Å; W567-L721 HydrophobicContact CZ3-CB 4.45Å; I570-L721 HydrophobicContact CD1-CD2 3.79Å; A647-L721 HydrophobicContact CB-CD1 4.36Å; L721-I723 HydrophobicContact CD2-CG1 4.38Å; L721-I723 HydrophobicContact CG-CG1 4.49Å; L721-I732 HydrophobicContact CB-CB 4.39Å; L721-I732 PolarHBondContact N-O 2.82Å; L721-I732 PolarHBondContact O-N 3.35Å
722	L	87.1	Confident	82.5	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.5	174.5	-60.3	173.2	0	0	0	108.6	A647 V648 L650 L653 I693 V697 T731	A647-L722 WeakPolarHBondContact CA-O 3.22Å; V648-L722 PolarHBondContact N-O 3.28Å; V648-L722 PolarHBondContact O-N 3.13Å; L650-L722 HydrophobicContact CD1-CD1 4.1Å; L653-L722 HydrophobicContact CD2-CD1 3.52Å; I693-L722 HydrophobicContact CG2-CD1 3.87Å; V697-L722 HydrophobicContact CG2-CD2 4.03Å; L722-T731 HydrophobicContact CD2-CG2 3.96Å
723	I	84.9	Confident	83.4	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	113.6	168.5	-61.4	171	0	0	0	107.2	V583 I644 A647 L721 C729 L730 I732	V583-I723 HydrophobicContact CB-CD1 4.16Å; V583-I723 HydrophobicContact CG1-CD1 3.94Å; V583-I723 HydrophobicContact CG2-CD1 3.92Å; I644-I723 HydrophobicContact CB-CG2 4.01Å; I644-I723 HydrophobicContact CD1-CG2 4.3Å; I644-I723 HydrophobicContact CG1-CG2 4.01Å; A647-I723 HydrophobicContact CB-CG1 4.47Å; L721-I723 HydrophobicContact CD2-CG1 4.38Å; L721-I723 HydrophobicContact CG-CG1 4.49Å; I723-C729 WeakPolarHBondContact O-CA 3.3Å; I723-L730 HydrophobicContact CB-CB 4.28Å; I723-L730 HydrophobicContact CD1-CD2 4.31Å; I723-L730 PolarHBondContact N-O 3.13Å; I723-L730 PolarHBondContact O-N 2.93Å; I723-I732 HydrophobicContact CD1-CD1 3.6Å; I723-I732 HydrophobicContact CG1-CD1 4.49Å
724	L	83.6	Confident	83.6	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	135	-176.8	-72.5	159.2	0	0	0	110	L487 M490 S645 L646 I693 C729 W809	L487-L724 HydrophobicContact CD2-CD1 4.07Å; M490-L724 HydrophobicContact CE-CB 3.96Å; S645-L724 WeakPolarHBondContact CB-O 3.44Å; S645-L724 PolarHBondContact N-O 2.91Å; S645-L724 VanDerWaalsContact N-O 3.1Å; L646-L724 HydrophobicContact CB-CB 4.08Å; L646-L724 HydrophobicContact CD2-CB 4.4Å; L646-L724 HydrophobicContact CD2-CD1 3.73Å; L646-L724 HydrophobicContact CG-CB 4.36Å; L646-L724 HydrophobicContact CG-CD1 4.16Å; L646-L724 PolarHBondContact N-O 3.38Å; L646-L724 PolarHBondContact O-N 3.24Å; I693-L724 HydrophobicContact CD1-CD2 4.19Å; L724-C729 HydrophobicContact CD2-CB 3.91Å; L724-C729 WeakPolarHBondContact CD2-SG 3.28Å; L724-W809 HydrophobicContact CD2-CZ2 4.2Å
725	T	82.1	Confident	83.6	Confident	1 Å²	1	17.7 Å²	17.7	1%	0.006	9%	0.088	C	C	.	.			trans	-133.9	168.1	163	68.2	0	0	0	0	108.1	M490 S643 S727 N728	M490-T725 VanDerWaalsContact CE-C 3.45Å; S643-T725 WeakPolarHBondContact O-CG2 3.5Å; T725-S727 PolarHBondContact O-N 3.3Å; T725-S727 PolarHBondContact OG1-N 3.3Å; T725-N728 PolarHBondContact N-O 3.22Å; T725-N728 PolarHBondContact OG1-N 3.29Å; T725-N728 PolarHBondContact OG1-O 3.34Å; T725-N728 VanDerWaalsContact OG1-O 3.06Å
726	P	79.6	Confident	83.1	Confident	10 Å²	10	19.9 Å²	19.9	7%	0.065	10%	0.095	C	C	.	.	S	Bend	trans	-56.2	-37.6	172.1	-26.4	36.1	0	0	0	112.1	P806 D808 W809	P726-P806 HydrophobicContact CB-CB 4.18Å; P726-P806 HydrophobicContact CB-CG 3.52Å; P726-P806 HydrophobicContact CG-CG 3.98Å; P726-D808 VanDerWaalsContact O-CA 3.32Å; P726-D808 WeakPolarHBondContact O-CA 3.25Å; P726-W809 VanDerWaalsContact O-CD1 3.31Å; P726-W809 PolarHBondContact O-N 3.09Å
727	S	80.6	Confident	82.2	Confident	2 Å²	2	19.9 Å²	19.9	1%	0.014	9%	0.094	C	C	.	.	S	Bend	trans	-99.9	-8.9	-170.1	65.3	0	0	0	0	117.2	E542 T725 P807	E542-S727 VanDerWaalsContact O-CB 3.27Å; E542-S727 WeakPolarHBondContact O-CB 3.44Å; E542-S727 PolarHBondContact O-OG 3.23Å; T725-S727 PolarHBondContact O-N 3.3Å; T725-S727 PolarHBondContact OG1-N 3.3Å; S727-P807 WeakPolarHBondContact CA-O 3.38Å; S727-P807 WeakPolarHBondContact CB-O 3.45Å
728	N	84.4	Confident	80.9	Confident	7 Å²	7	25.5 Å²	25.5	4%	0.037	12%	0.116	C	C	.	.			trans	-156.9	156.2	172.9	-165.5	41.8	0	0	0	111.9	I602 H642 T725	I602-N728 PolarHBondContact N-OD1 3.17Å; H642-N728 PolarHBondContact NE2-ND2 2.91Å; T725-N728 PolarHBondContact N-O 3.22Å; T725-N728 PolarHBondContact OG1-N 3.29Å; T725-N728 PolarHBondContact OG1-O 3.34Å; T725-N728 VanDerWaalsContact OG1-O 3.06Å
729	C	87	Confident	79.4	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.014	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	112.8	165.1	-176.4	0	0	0	0	108.7	N696 I723 L724 W809	N696-C729 WeakPolarHBondContact ND2-CB 3.42Å; N696-C729 PolarHBondContact ND2-O 3.36Å; N696-C729 PolarHBondContact ND2-SG 3.15Å; N696-C729 PolarHBondContact OD1-O 3.26Å; I723-C729 WeakPolarHBondContact O-CA 3.3Å; L724-C729 HydrophobicContact CD2-CB 3.91Å; L724-C729 WeakPolarHBondContact CD2-SG 3.28Å; C729-W809 HydrophobicContact CB-CD2 4.23Å; C729-W809 HydrophobicContact CB-CH2 4.25Å; C729-W809 HydrophobicContact CB-CZ2 3.67Å
730	L	87.5	Confident	77.8	Confident	5 Å²	5	33.9 Å²	33.9	3%	0.026	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	120.1	178.4	177.2	69.3	0	0	0	109.9	L585 F597 P598 H642 I723 I732	L585-L730 HydrophobicContact CD1-CD2 3.69Å; F597-L730 HydrophobicContact CB-CD1 4.24Å; P598-L730 HydrophobicContact CG-CD1 3.87Å; H642-L730 HydrophobicContact CB-CD2 4.09Å; I723-L730 HydrophobicContact CB-CB 4.28Å; I723-L730 HydrophobicContact CD1-CD2 4.31Å; I723-L730 PolarHBondContact N-O 3.13Å; I723-L730 PolarHBondContact O-N 2.93Å; L730-I732 HydrophobicContact CD2-CD1 4.13Å; L730-I732 HydrophobicContact CD2-CG1 4.24Å; L730-I732 HydrophobicContact CG-CG1 4.15Å
731	T	87.8	Confident	76	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	126.9	174.1	-48.4	0	0	0	0	110.1	P598 N696 V697 S700 I720 L722 F733	P598-T731 WeakPolarHBondContact CD-O 3.29Å; N696-T731 PolarHBondContact ND2-OG1 3.3Å; N696-T731 VanDerWaalsContact ND2-OG1 3.17Å; V697-T731 HydrophobicContact CG2-CG2 4.29Å; S700-T731 WeakPolarHBondContact OG-CB 3.44Å; S700-T731 PolarHBondContact OG-OG1 3.01Å; S700-T731 VanDerWaalsContact OG-OG1 3.14Å; I720-T731 HydrophobicContact CG2-CG2 3.62Å; L722-T731 HydrophobicContact CD2-CG2 3.96Å; T731-F733 HydrophobicContact CG2-CD2 4.44Å; T731-F733 HydrophobicContact CG2-CE1 3.96Å; T731-F733 HydrophobicContact CG2-CE2 3.75Å; T731-F733 HydrophobicContact CG2-CZ 3.46Å; T731-F733 VanDerWaalsContact CG2-CZ 3.46Å
732	I	86.9	Confident	73.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.3	176.2	-50.9	-175.3	0	0	0	109.1	W567 I570 L585 I595 F597 I720 L721 I723 L730	W567-I732 HydrophobicContact CH2-CG2 4.24Å; W567-I732 WeakPolarHBondContact CH2-O 3.35Å; W567-I732 HydrophobicContact CZ3-CB 4.37Å; W567-I732 HydrophobicContact CZ3-CG2 3.72Å; I570-I732 HydrophobicContact CD1-CD1 3.79Å; I570-I732 HydrophobicContact CD1-CG2 4.31Å; L585-I732 HydrophobicContact CD2-CD1 3.85Å; I595-I732 HydrophobicContact CB-CG2 3.95Å; I595-I732 HydrophobicContact CD1-CG2 4.4Å; I595-I732 HydrophobicContact CG2-CG2 4.39Å; F597-I732 HydrophobicContact CB-CG1 4.1Å; I720-I732 WeakPolarHBondContact CA-O 3.37Å; L721-I732 HydrophobicContact CB-CB 4.39Å; L721-I732 PolarHBondContact N-O 2.82Å; L721-I732 PolarHBondContact O-N 3.35Å; I723-I732 HydrophobicContact CD1-CD1 3.6Å; I723-I732 HydrophobicContact CG1-CD1 4.49Å; L730-I732 HydrophobicContact CD2-CD1 4.13Å; L730-I732 HydrophobicContact CD2-CG1 4.24Å; L730-I732 HydrophobicContact CG-CG1 4.15Å
733	F	86.2	Confident	71.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.5	178.8	-55.5	-87.7	0	0	0	109.7	I595 R596 L701 L713 L715 I720 T731	I595-F733 CarbonylContact C-O 3.56Å; I595-F733 VanDerWaalsContact CA-O 3.31Å; I595-F733 WeakPolarHBondContact CA-O 3.49Å; R596-F733 PolarHBondContact N-O 3.46Å; R596-F733 PolarHBondContact O-N 3.03Å; L701-F733 HydrophobicContact CB-CE1 4.15Å; L701-F733 HydrophobicContact CB-CE2 4.46Å; L701-F733 HydrophobicContact CB-CZ 3.72Å; L701-F733 HydrophobicContact CD1-CD1 4.48Å; L701-F733 HydrophobicContact CD1-CE1 4.13Å; L701-F733 HydrophobicContact CD1-CZ 4.28Å; L713-F733 HydrophobicContact CD1-CB 4.43Å; L713-F733 HydrophobicContact CD1-CG 4.43Å; L713-F733 HydrophobicContact CD2-CB 4.2Å; L715-F733 HydrophobicContact CD2-CD1 4.18Å; L715-F733 HydrophobicContact CD2-CE1 4.48Å; I720-F733 HydrophobicContact CD1-CD1 4.24Å; I720-F733 HydrophobicContact CD1-CE1 4.12Å; I720-F733 HydrophobicContact CG1-CD1 3.94Å; I720-F733 HydrophobicContact CG1-CE1 4.23Å; I720-F733 HydrophobicContact CG2-CE1 4.34Å; T731-F733 HydrophobicContact CG2-CD2 4.44Å; T731-F733 HydrophobicContact CG2-CE1 3.96Å; T731-F733 HydrophobicContact CG2-CE2 3.75Å; T731-F733 HydrophobicContact CG2-CZ 3.46Å; T731-F733 VanDerWaalsContact CG2-CZ 3.46Å
734	K	82.9	Confident	69.6	Low	48 Å²	48	53.6 Å²	53.6	21%	0.209	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	150.9	164.3	-66.3	-174	176.9	175.6	0	110.5	N566 W567 K594 L713 D714 H719	N566-K734 PolarHBondContact O-NZ 3.35Å; W567-K734 VanDerWaalsContact CE2-CE 3.49Å; W567-K734 HydrophobicContact CE3-CG 4.25Å; W567-K734 HydrophobicContact CH2-CD 4.23Å; W567-K734 HydrophobicContact CH2-CG 3.43Å; W567-K734 VanDerWaalsContact CH2-CG 3.43Å; W567-K734 HydrophobicContact CZ2-CD 4.29Å; W567-K734 HydrophobicContact CZ2-CG 3.97Å; W567-K734 HydrophobicContact CZ3-CD 4.4Å; W567-K734 HydrophobicContact CZ3-CG 3.57Å; K594-K734 CarbonylContact O-C 3.55Å; K594-K734 WeakPolarHBondContact O-CA 3.39Å; L713-K734 WeakPolarHBondContact CA-O 3.38Å; D714-K734 HydrophobicContact CB-CB 4.29Å; D714-K734 PolarHBondContact N-O 3.14Å; H719-K734 HydrophobicContact CB-CB 4.38Å; H719-K734 HydrophobicContact CB-CD 4.12Å; H719-K734 HydrophobicContact CB-CG 4.36Å; H719-K734 PolarHBondContact O-N 3.07Å
735	Q	77.6	Confident	67.9	Low	39 Å²	39	60.7 Å²	60.7	18%	0.182	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	141.7	166.5	-174.6	173.9	-42.9	0	0	109.3	Q593 K594 I711 Q712 E737	Q593-Q735 PolarHBondContact O-OE1 2.65Å; K594-Q735 PolarHBondContact O-N 3.04Å; I711-Q735 HydrophobicContact CG2-CG 4.17Å; Q712-Q735 WeakPolarHBondContact O-CG 3.25Å; Q735-E737 PolarHBondContact O-N 3.39Å
736	Y	70.1	Confident	66.5	Low	59 Å²	59	64.9 Å²	64.9	23%	0.231	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-61.1	129	170.8	-82.8	-72.4	0	0	0	111.2	Q712 L713 D714 K738 N757	Q712-Y736 HydrophobicContact CB-CD2 3.78Å; Q712-Y736 HydrophobicContact CB-CG 4.36Å; Q712-Y736 PolarHBondContact O-N 2.95Å; L713-Y736 WeakPolarHBondContact O-CD2 3.44Å; L713-Y736 WeakPolarHBondContact O-CE2 3.45Å; D714-Y736 VanDerWaalsContact CA-CE2 3.48Å; D714-Y736 HydrophobicContact CB-CD1 4.41Å; D714-Y736 HydrophobicContact CB-CD2 4.27Å; D714-Y736 HydrophobicContact CB-CE1 4.15Å; D714-Y736 HydrophobicContact CB-CE2 4.04Å; D714-Y736 HydrophobicContact CB-CG 4.45Å; Y736-K738 PolarHBondContact O-N 3.41Å; Y736-N757 VanDerWaalsContact CE2-ND2 3.25Å; Y736-N757 WeakPolarHBondContact CE2-ND2 3.48Å; Y736-N757 PolarHBondContact OH-ND2 2.7Å
737	E	61.4	Low	65.1	Low	75 Å²	75	70.1 Å²	70.1	35%	0.35	37%	0.365	S	S	.	.			trans	-72	113.8	166	-65.8	-179.1	140.5	0	0	108.6	K594 Q735 D739 K740	K594-E737 IonicContact NZ-OE1 2.73Å; K594-E737 PolarHBondContact NZ-OE1 3.14Å; Q735-E737 PolarHBondContact O-N 3.39Å; E737-D739 PolarHBondContact O-N 3.04Å; E737-K740 PolarHBondContact O-N 2.88Å; E737-K740 IonicContact OE2-NZ 2.58Å; E737-K740 PolarHBondContact OE2-NZ 2.93Å
738	K	52.2	Low	63.4	Low	141 Å²	141	77.4 Å²	77.4	61%	0.613	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-54.5	-27.4	-178.6	-72.1	-173.3	174.5	-174.5	0	113.4	Y736 K740 L741	Y736-K738 PolarHBondContact O-N 3.41Å; K738-K740 PolarHBondContact O-N 2.96Å; K738-L741 VanDerWaalsContact O-CB 3.28Å; K738-L741 WeakPolarHBondContact O-CB 3.39Å; K738-L741 PolarHBondContact O-N 3.39Å
739	D	49.2	Very low	61.4	Low	163 Å²	163	80.3 Å²	80.3	87%	0.872	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-67.2	-11.9	-179.8	-53.6	-33.5	0	0	0	113.8	E737	E737-D739 PolarHBondContact O-N 3.04Å
740	K	49.3	Very low	59.4	Low	159 Å²	159	82.5 Å²	82.5	69%	0.691	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-99.4	-1.7	173.4	-70.4	173.7	179.8	146	0	113.6	E737 K738	E737-K740 PolarHBondContact O-N 2.88Å; E737-K740 IonicContact OE2-NZ 2.58Å; E737-K740 PolarHBondContact OE2-NZ 2.93Å; K738-K740 PolarHBondContact O-N 2.96Å
741	L	49	Very low	57.7	Low	71 Å²	71	85.8 Å²	85.8	37%	0.372	45%	0.445	S	S	.	.	S	Bend	trans	-73.4	129.4	176.7	-153.1	74.6	0	0	0	109.1	K738 N743 L753	K738-L741 VanDerWaalsContact O-CB 3.28Å; K738-L741 WeakPolarHBondContact O-CB 3.39Å; K738-L741 PolarHBondContact O-N 3.39Å; L741-N743 PolarHBondContact O-N 3.26Å; L741-L753 HydrophobicContact CD1-CD1 3.69Å
742	P	41.7	Very low	55.8	Low	92 Å²	92	90 Å²	90	60%	0.597	47%	0.466	S	S	*	.			trans	-59	129.8	168.5	24.8	-32.2	0	0	0	108.8	T744	P742-T744 VanDerWaalsContact C-N 3.3Å; P742-T744 PolarHBondContact O-N 3.34Å; P742-T744 PolarHBondContact O-OG1 2.69Å
743	N	42.9	Very low	54	Low	172 Å²	172	92.8 Å²	92.8	92%	0.92	48%	0.481	S	S	*	.	S	Bend	trans	-75.7	77.7	-168.2	-145.5	8.2	0	0	0	110.4	L741	L741-N743 PolarHBondContact O-N 3.26Å
744	T	40.2	Very low	52.6	Low	80 Å²	80	96 Å²	96	49%	0.491	50%	0.495	S	S	.	.			trans	-146.2	128.4	-176.6	26.6	0	0	0	0	113.1	P742	P742-T744 VanDerWaalsContact C-N 3.3Å; P742-T744 PolarHBondContact O-N 3.34Å; P742-T744 PolarHBondContact O-OG1 2.69Å
745	D	46.4	Very low	51.4	Low	148 Å²	148	99.8 Å²	99.8	79%	0.791	51%	0.514	S	S	*	.			trans	7.2	103.7	174.1	-59.5	-23.1	0	0	0	118.3	N747	D745-N747 PolarHBondContact O-N 2.69Å; D745-N747 VanDerWaalsContact O-N 3.13Å
746	S	54.2	Low	50.8	Low	89 Å²	89	100.9 Å²	100.9	62%	0.622	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.2	-152.6	60.8	0	0	0	0	118	E750	S746-E750 WeakPolarHBondContact O-CB 3.24Å
747	N	49.4	Very low	51	Low	120 Å²	120	99.6 Å²	99.6	64%	0.642	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-35.5	-168.2	-74.5	7.8	0	0	0	114.4	D745	D745-N747 PolarHBondContact O-N 2.69Å; D745-N747 VanDerWaalsContact O-N 3.13Å
748	H	45.1	Very low	51.8	Low	156 Å²	156	97.7 Å²	97.7	72%	0.722	51%	0.512	S	S	*	.	H	α-helix	trans	-82.6	-44	-179.8	-77.9	-58.2	0	0	0	111.6	E750 V751 I752	H748-E750 VanDerWaalsContact C-N 3.28Å; H748-E750 PolarHBondContact O-N 2.75Å; H748-V751 PolarHBondContact O-N 3.07Å; H748-I752 WeakPolarHBondContact O-CG1 3.47Å; H748-I752 PolarHBondContact O-N 3.26Å
749	N	42.2	Very low	53.1	Low	68 Å²	68	93.5 Å²	93.5	36%	0.364	50%	0.495	S	S	.	.	H	α-helix	trans	-66	-28.4	175.9	-72.4	-15.4	0	0	0	112.7	I752 L753	N749-I752 PolarHBondContact O-N 2.72Å; N749-L753 VanDerWaalsContact O-CB 3.28Å; N749-L753 WeakPolarHBondContact O-CB 3.35Å; N749-L753 VanDerWaalsContact O-CG 3.24Å; N749-L753 WeakPolarHBondContact O-CG 3.22Å; N749-L753 PolarHBondContact O-N 3.42Å
750	E	46.2	Very low	54.5	Low	47 Å²	47	89.5 Å²	89.5	22%	0.22	48%	0.478	C	S	.	.	H	α-helix	trans	-68.5	-33.9	177.6	174.5	163.9	-131.6	0	0	113.2	Q712 S746 H748 K754	Q712-E750 PolarHBondContact NE2-OE1 3.44Å; S746-E750 WeakPolarHBondContact O-CB 3.24Å; H748-E750 VanDerWaalsContact C-N 3.28Å; H748-E750 PolarHBondContact O-N 2.75Å; E750-K754 HydrophobicContact CG-CD 4.37Å; E750-K754 WeakPolarHBondContact O-CD 3.38Å; E750-K754 VanDerWaalsContact O-CG 3.31Å; E750-K754 WeakPolarHBondContact O-CG 3.34Å; E750-K754 PolarHBondContact O-N 3.07Å; E750-K754 IonicContact OE1-NZ 2.73Å; E750-K754 PolarHBondContact OE1-NZ 3.35Å; E750-K754 IonicContact OE2-NZ 3.94Å
751	V	50.2	Low	56.2	Low	75 Å²	75	81.9 Å²	81.9	46%	0.455	45%	0.445	S	S	.	.	H	α-helix	trans	-73.3	-48.4	173.3	178.5	0	0	0	0	109.7	H748 L753 K754 E755	H748-V751 PolarHBondContact O-N 3.07Å; V751-L753 PolarHBondContact O-N 3.19Å; V751-K754 PolarHBondContact O-N 3.32Å; V751-K754 VanDerWaalsContact O-N 3.1Å; V751-E755 HydrophobicContact CG1-CG 4.38Å; V751-E755 WeakPolarHBondContact CG1-OE1 3.44Å; V751-E755 PolarHBondContact O-N 3.29Å
752	I	48	Very low	57.8	Low	87 Å²	87	78.5 Å²	78.5	45%	0.446	43%	0.428	S	S	.	.	H	α-helix	trans	-57	-48.7	-179.9	-65.3	165.3	0	0	0	110.7	H748 N749 K754 E755 T756	H748-I752 WeakPolarHBondContact O-CG1 3.47Å; H748-I752 PolarHBondContact O-N 3.26Å; N749-I752 PolarHBondContact O-N 2.72Å; I752-K754 VanDerWaalsContact C-N 3.3Å; I752-K754 PolarHBondContact O-N 3.14Å; I752-E755 PolarHBondContact O-N 3.42Å; I752-T756 HydrophobicContact CG2-CG2 4.11Å; I752-T756 WeakPolarHBondContact O-CG2 3.12Å; I752-T756 PolarHBondContact O-N 2.69Å; I752-T756 PolarHBondContact O-OG1 2.89Å; I752-T756 VanDerWaalsContact O-OG1 3.12Å
753	L	49.9	Very low	59.8	Low	59 Å²	59	78.3 Å²	78.3	31%	0.309	42%	0.421	S	S	.	.	H	α-helix	trans	-60.8	-36.7	178.5	-75	169	0	0	0	112.7	L741 N749 V751 T756 N757	L741-L753 HydrophobicContact CD1-CD1 3.69Å; N749-L753 VanDerWaalsContact O-CB 3.28Å; N749-L753 WeakPolarHBondContact O-CB 3.35Å; N749-L753 VanDerWaalsContact O-CG 3.24Å; N749-L753 WeakPolarHBondContact O-CG 3.22Å; N749-L753 PolarHBondContact O-N 3.42Å; V751-L753 PolarHBondContact O-N 3.19Å; L753-T756 WeakPolarHBondContact CA-OG1 2.98Å; L753-T756 PolarHBondContact O-OG1 2.84Å; L753-N757 WeakPolarHBondContact O-CB 3.47Å; L753-N757 PolarHBondContact O-N 3.11Å; L753-N757 PolarHBondContact O-ND2 3.29Å; L753-N757 VanDerWaalsContact O-ND2 3.1Å
754	K	56.5	Low	61.6	Low	68 Å²	68	71.6 Å²	71.6	30%	0.296	39%	0.39	S	S	.	.	H	α-helix	trans	-69.2	-42	176.8	-74.4	170.1	-171.4	161.7	0	111.6	K709 E750 V751 I752 L758	K709-K754 PolarHBondContact O-NZ 3.04Å; E750-K754 HydrophobicContact CG-CD 4.37Å; E750-K754 WeakPolarHBondContact O-CD 3.38Å; E750-K754 VanDerWaalsContact O-CG 3.31Å; E750-K754 WeakPolarHBondContact O-CG 3.34Å; E750-K754 PolarHBondContact O-N 3.07Å; E750-K754 IonicContact OE1-NZ 2.73Å; E750-K754 PolarHBondContact OE1-NZ 3.35Å; E750-K754 IonicContact OE2-NZ 3.94Å; V751-K754 PolarHBondContact O-N 3.32Å; V751-K754 VanDerWaalsContact O-N 3.1Å; I752-K754 VanDerWaalsContact C-N 3.3Å; I752-K754 PolarHBondContact O-N 3.14Å; K754-L758 VanDerWaalsContact O-CB 3.25Å; K754-L758 WeakPolarHBondContact O-CB 3.43Å; K754-L758 PolarHBondContact O-N 3.02Å
755	E	57.6	Low	63.6	Low	128 Å²	128	67.9 Å²	67.9	60%	0.598	37%	0.367	S	S	*	.	H	α-helix	trans	-68.4	-44.6	177.3	-71.2	175.7	179.2	0	0	111.6	V751 I752 L758 Q759	V751-E755 HydrophobicContact CG1-CG 4.38Å; V751-E755 WeakPolarHBondContact CG1-OE1 3.44Å; V751-E755 PolarHBondContact O-N 3.29Å; I752-E755 PolarHBondContact O-N 3.42Å; E755-L758 PolarHBondContact O-N 2.83Å; E755-Q759 WeakPolarHBondContact O-CB 3.34Å; E755-Q759 PolarHBondContact O-N 2.87Å
756	T	65.4	Low	65.3	Low	62 Å²	62	66.3 Å²	66.3	38%	0.38	36%	0.355	S	S	.	.	H	α-helix	trans	-65.8	-43.4	176.3	58.4	0	0	0	0	112	I752 L753 L758 Q759 C760	I752-T756 HydrophobicContact CG2-CG2 4.11Å; I752-T756 WeakPolarHBondContact O-CG2 3.12Å; I752-T756 PolarHBondContact O-N 2.69Å; I752-T756 PolarHBondContact O-OG1 2.89Å; I752-T756 VanDerWaalsContact O-OG1 3.12Å; L753-T756 WeakPolarHBondContact CA-OG1 2.98Å; L753-T756 PolarHBondContact O-OG1 2.84Å; T756-L758 VanDerWaalsContact C-N 3.33Å; T756-L758 PolarHBondContact O-N 3.3Å; T756-Q759 PolarHBondContact O-N 3.36Å; T756-C760 WeakPolarHBondContact O-CB 3.37Å; T756-C760 PolarHBondContact O-N 2.75Å; T756-C760 PolarHBondContact O-SG 3.35Å
757	N	74.3	Confident	66.6	Low	31 Å²	31	62.2 Å²	62.2	17%	0.166	33%	0.326	C	S	.	.	H	α-helix	trans	-67.3	-35.6	179.2	-69.4	-15.3	0	0	0	111.9	L715 Y736 L753 L761	L715-N757 HydrophobicContact CB-CB 4.28Å; L715-N757 HydrophobicContact CD1-CB 4.18Å; L715-N757 HydrophobicContact CG-CB 4.38Å; Y736-N757 VanDerWaalsContact CE2-ND2 3.25Å; Y736-N757 WeakPolarHBondContact CE2-ND2 3.48Å; Y736-N757 PolarHBondContact OH-ND2 2.7Å; L753-N757 WeakPolarHBondContact O-CB 3.47Å; L753-N757 PolarHBondContact O-N 3.11Å; L753-N757 PolarHBondContact O-ND2 3.29Å; L753-N757 VanDerWaalsContact O-ND2 3.1Å; N757-L761 PolarHBondContact O-N 2.74Å; N757-L761 VanDerWaalsContact O-N 3.1Å
758	L	77.9	Confident	67.9	Low	35 Å²	35	65.2 Å²	65.2	18%	0.183	34%	0.336	C	S	.	.	H	α-helix	trans	-65.2	-48.3	172.3	177.7	58.3	0	0	0	110.6	L701 L715 K754 E755 T756 C760 L761 L762 M772	L701-L758 HydrophobicContact CD2-CD1 4.42Å; L715-L758 HydrophobicContact CD1-CB 4.44Å; K754-L758 VanDerWaalsContact O-CB 3.25Å; K754-L758 WeakPolarHBondContact O-CB 3.43Å; K754-L758 PolarHBondContact O-N 3.02Å; E755-L758 PolarHBondContact O-N 2.83Å; T756-L758 VanDerWaalsContact C-N 3.33Å; T756-L758 PolarHBondContact O-N 3.3Å; L758-C760 PolarHBondContact O-N 3.06Å; L758-L761 PolarHBondContact O-N 3.42Å; L758-L761 VanDerWaalsContact O-N 3.12Å; L758-L762 HydrophobicContact CD1-CD1 4.08Å; L758-L762 HydrophobicContact CD1-CD2 4.5Å; L758-L762 HydrophobicContact CD1-CG 4.05Å; L758-L762 HydrophobicContact CG-CD1 3.94Å; L758-L762 HydrophobicContact CG-CG 4.33Å; L758-L762 WeakPolarHBondContact O-CG 3.45Å; L758-L762 PolarHBondContact O-N 3.17Å; L758-M772 HydrophobicContact CD1-CE 3.38Å; L758-M772 HydrophobicContact CD1-SD 4.49Å; L758-M772 HydrophobicContact CD2-CE 4.17Å; L758-M772 HydrophobicContact CG-CE 4.44Å
759	Q	79.3	Confident	69.4	Low	54 Å²	54	58.2 Å²	58.2	25%	0.252	31%	0.305	S	S	.	.	H	α-helix	trans	-60.3	-44.7	178.5	-169.2	62.3	58.2	0	0	111.1	E755 T756 L761 L762 D763	E755-Q759 WeakPolarHBondContact O-CB 3.34Å; E755-Q759 PolarHBondContact O-N 2.87Å; T756-Q759 PolarHBondContact O-N 3.36Å; Q759-L761 VanDerWaalsContact C-N 3.28Å; Q759-L761 PolarHBondContact O-N 3.1Å; Q759-L762 PolarHBondContact O-N 3.37Å; Q759-L762 VanDerWaalsContact O-N 3.08Å; Q759-D763 PolarHBondContact NE2-OD1 2.87Å; Q759-D763 WeakPolarHBondContact O-CB 3.29Å; Q759-D763 PolarHBondContact O-N 2.84Å
760	C	79.5	Confident	70.9	Confident	78 Å²	78	62.7 Å²	62.7	53%	0.527	32%	0.323	S	S	.	.	H	α-helix	trans	-59.7	-35.2	175.1	-68	0	0	0	0	113.3	T756 L758 A764	T756-C760 WeakPolarHBondContact O-CB 3.37Å; T756-C760 PolarHBondContact O-N 2.75Å; T756-C760 PolarHBondContact O-SG 3.35Å; L758-C760 PolarHBondContact O-N 3.06Å; C760-A764 VanDerWaalsContact O-CB 3.3Å; C760-A764 WeakPolarHBondContact O-CB 3.27Å; C760-A764 PolarHBondContact O-N 3.03Å
761	L	83.7	Confident	72.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-70.5	-42.3	173	178.1	62.2	0	0	0	111.6	L650 V697 L701 L715 I720 N757 L758 Q759 A764 L765	L650-L761 HydrophobicContact CD2-CD1 3.9Å; V697-L761 HydrophobicContact CG1-CD2 4.37Å; L701-L761 HydrophobicContact CD2-CD2 3.6Å; L715-L761 HydrophobicContact CB-CB 4.16Å; L715-L761 HydrophobicContact CB-CD2 4.22Å; L715-L761 HydrophobicContact CD1-CD2 4.43Å; L715-L761 HydrophobicContact CD2-CD2 4.38Å; I720-L761 HydrophobicContact CD1-CD1 3.72Å; I720-L761 HydrophobicContact CD1-CD2 4.19Å; N757-L761 PolarHBondContact O-N 2.74Å; N757-L761 VanDerWaalsContact O-N 3.1Å; L758-L761 PolarHBondContact O-N 3.42Å; L758-L761 VanDerWaalsContact O-N 3.12Å; Q759-L761 VanDerWaalsContact C-N 3.28Å; Q759-L761 PolarHBondContact O-N 3.1Å; L761-A764 PolarHBondContact O-N 3.21Å; L761-L765 HydrophobicContact CD1-CD1 4.14Å; L761-L765 HydrophobicContact CD1-CG 4.16Å; L761-L765 HydrophobicContact CG-CD1 4.09Å; L761-L765 HydrophobicContact CG-CG 4.46Å; L761-L765 WeakPolarHBondContact O-CB 3.38Å; L761-L765 VanDerWaalsContact O-CG 3.24Å; L761-L765 WeakPolarHBondContact O-CG 3.02Å; L761-L765 PolarHBondContact O-N 2.95Å
762	L	84	Confident	74	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.1	-40.4	177.8	-66.5	175.2	0	0	0	111.7	L698 L758 Q759 L765 H766 I767 S769 S775	L698-L762 HydrophobicContact CD2-CD2 3.76Å; L758-L762 HydrophobicContact CD1-CD1 4.08Å; L758-L762 HydrophobicContact CD1-CD2 4.5Å; L758-L762 HydrophobicContact CD1-CG 4.05Å; L758-L762 HydrophobicContact CG-CD1 3.94Å; L758-L762 HydrophobicContact CG-CG 4.33Å; L758-L762 WeakPolarHBondContact O-CG 3.45Å; L758-L762 PolarHBondContact O-N 3.17Å; Q759-L762 PolarHBondContact O-N 3.37Å; Q759-L762 VanDerWaalsContact O-N 3.08Å; L762-L765 CarbonylContact O-C 3.38Å; L762-L765 PolarHBondContact O-N 3.2Å; L762-H766 PolarHBondContact O-N 2.87Å; L762-I767 HydrophobicContact CB-CB 4.48Å; L762-I767 HydrophobicContact CD2-CB 4.32Å; L762-I767 HydrophobicContact CD2-CD1 4.14Å; L762-I767 PolarHBondContact O-N 2.79Å; L762-S769 WeakPolarHBondContact CD1-O 3.25Å; L762-S775 VanDerWaalsContact CD2-OG 3.27Å; L762-S775 WeakPolarHBondContact CD2-OG 3.25Å
763	D	83.6	Confident	75.7	Confident	87 Å²	87	59.7 Å²	59.7	47%	0.465	31%	0.31	S	S	.	.	H	α-helix	trans	-61	-47.4	173.1	-63.2	-19.9	0	0	0	110.6	Q759 L765 H766	Q759-D763 PolarHBondContact NE2-OD1 2.87Å; Q759-D763 WeakPolarHBondContact O-CB 3.29Å; Q759-D763 PolarHBondContact O-N 2.84Å; D763-L765 VanDerWaalsContact C-N 3.27Å; D763-L765 PolarHBondContact O-N 2.88Å; D763-H766 WeakPolarHBondContact O-CA 3.24Å; D763-H766 PolarHBondContact O-N 3.34Å
764	A	79.6	Confident	77.4	Confident	32 Å²	32	61 Å²	61	26%	0.264	32%	0.317	S	S	.	.	H	α-helix	trans	-65.6	-26.9	175.7	0	0	0	0	0	113.5	P717 C760 L761 H766	P717-A764 HydrophobicContact CG-CB 3.77Å; C760-A764 VanDerWaalsContact O-CB 3.3Å; C760-A764 WeakPolarHBondContact O-CB 3.27Å; C760-A764 PolarHBondContact O-N 3.03Å; L761-A764 PolarHBondContact O-N 3.21Å; A764-H766 VanDerWaalsContact C-N 3.3Å
765	L	83.3	Confident	78.7	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.005	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	1.5	171.4	-65.9	177.5	0	0	0	112.6	L650 L654 K694 V697 L698 L761 L762 D763 I767	L650-L765 HydrophobicContact CD1-CD2 4.29Å; L650-L765 HydrophobicContact CD2-CD2 4.15Å; L654-L765 HydrophobicContact CD1-CD2 4.4Å; L654-L765 HydrophobicContact CD2-CD2 4.42Å; K694-L765 WeakPolarHBondContact CD-O 3.32Å; K694-L765 WeakPolarHBondContact CE-O 3.49Å; K694-L765 HydrophobicContact CG-CB 4.38Å; K694-L765 HydrophobicContact CG-CD2 4.17Å; K694-L765 PolarHBondContact NZ-O 3.36Å; V697-L765 HydrophobicContact CG1-CD1 4.4Å; L698-L765 HydrophobicContact CD2-CD1 4.3Å; L698-L765 HydrophobicContact CG-CD1 4.5Å; L761-L765 HydrophobicContact CD1-CD1 4.14Å; L761-L765 HydrophobicContact CD1-CG 4.16Å; L761-L765 HydrophobicContact CG-CD1 4.09Å; L761-L765 HydrophobicContact CG-CG 4.46Å; L761-L765 WeakPolarHBondContact O-CB 3.38Å; L761-L765 VanDerWaalsContact O-CG 3.24Å; L761-L765 WeakPolarHBondContact O-CG 3.02Å; L761-L765 PolarHBondContact O-N 2.95Å; L762-L765 CarbonylContact O-C 3.38Å; L762-L765 PolarHBondContact O-N 3.2Å; D763-L765 VanDerWaalsContact C-N 3.27Å; D763-L765 PolarHBondContact O-N 2.88Å; L765-I767 HydrophobicContact CB-CD1 3.77Å; L765-I767 HydrophobicContact CB-CG1 3.88Å; L765-I767 HydrophobicContact CD1-CD1 4.22Å; L765-I767 WeakPolarHBondContact O-CG1 3.13Å
766	H	80.8	Confident	80.1	Confident	115 Å²	115	51.7 Å²	51.7	53%	0.532	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	52.3	-174.5	-57.4	-90.8	0	0	0	112.9	E658 L762 D763 A764	E658-H766 IonicContact OE1-CD2 3.13Å; E658-H766 IonicContact OE1-CE1 3.52Å; E658-H766 IonicContact OE1-NE2 3.9Å; E658-H766 PolarHBondContact OE1-NE2 2.81Å; L762-H766 PolarHBondContact O-N 2.87Å; D763-H766 WeakPolarHBondContact O-CA 3.24Å; D763-H766 PolarHBondContact O-N 3.34Å; A764-H766 VanDerWaalsContact C-N 3.3Å
767	I	81.2	Confident	81.1	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.021	27%	0.27	C	S	.	.			trans	-122	126	179.8	-49	177.2	0	0	0	109.4	K694 L698 L762 L765 S769 V779	K694-I767 HydrophobicContact CD-CD1 4.44Å; K694-I767 HydrophobicContact CD-CG1 4.48Å; L698-I767 HydrophobicContact CD1-CD1 3.82Å; L762-I767 HydrophobicContact CB-CB 4.48Å; L762-I767 HydrophobicContact CD2-CB 4.32Å; L762-I767 HydrophobicContact CD2-CD1 4.14Å; L762-I767 PolarHBondContact O-N 2.79Å; L765-I767 HydrophobicContact CB-CD1 3.77Å; L765-I767 HydrophobicContact CB-CG1 3.88Å; L765-I767 HydrophobicContact CD1-CD1 4.22Å; L765-I767 WeakPolarHBondContact O-CG1 3.13Å; I767-S769 VanDerWaalsContact CG2-OG 3.25Å; I767-S769 WeakPolarHBondContact CG2-OG 3.29Å; I767-V779 HydrophobicContact CD1-CG2 3.6Å; I767-V779 HydrophobicContact CG1-CG2 4.26Å
768	Q	77	Confident	81.7	Confident	182 Å²	182	53 Å²	53	85%	0.85	28%	0.28	S	S	*	.			trans	-89.4	-6	-171.5	-64.7	-179.6	-10.1	0	0	114.9
769	S	76.9	Confident	82.1	Confident	10 Å²	10	51.4 Å²	51.4	7%	0.07	27%	0.271	C	S	.	.			trans	-72.5	146.4	-178.9	56.4	0	0	0	0	112.9	L762 I767 S775	L762-S769 WeakPolarHBondContact CD1-O 3.25Å; I767-S769 VanDerWaalsContact CG2-OG 3.25Å; I767-S769 WeakPolarHBondContact CG2-OG 3.29Å; S769-S775 WeakPolarHBondContact OG-CA 3.39Å; S769-S775 WeakPolarHBondContact OG-CB 3.27Å; S769-S775 PolarHBondContact OG-N 3.29Å; S769-S775 PolarHBondContact OG-OG 3.07Å
770	H	73.9	Confident	82.5	Confident	162 Å²	162	49.6 Å²	49.6	75%	0.75	26%	0.263	S	S	*	.	S	Bend	trans	-92.6	-11.3	178.8	-58.7	-51.6	0	0	0	115.3
771	S	79.5	Confident	82.9	Confident	42 Å²	42	52 Å²	52	29%	0.294	26%	0.264	S	S	.	.	S	Bend	trans	-122.4	148.1	179.1	99.8	0	0	0	0	111.7	N773 D774 S775	S771-N773 PolarHBondContact O-N 2.91Å; S771-N773 PolarHBondContact OG-N 2.64Å; S771-D774 VanDerWaalsContact CB-OD2 3.29Å; S771-D774 WeakPolarHBondContact CB-OD2 3.31Å; S771-D774 PolarHBondContact O-N 3.42Å; S771-D774 PolarHBondContact OG-N 2.89Å; S771-D774 PolarHBondContact OG-OD2 2.96Å; S771-S775 WeakPolarHBondContact O-CB 3.33Å; S771-S775 PolarHBondContact O-N 2.92Å; S771-S775 PolarHBondContact O-OG 2.93Å
772	M	81.5	Confident	82.9	Confident	21 Å²	21	55.2 Å²	55.2	10%	0.103	28%	0.28	C	S	.	.	H	α-helix	trans	-54.7	-40.5	177.3	-174.3	66.9	67.9	0	0	112.6	L698 L701 L705 L758 S775 I776	L698-M772 HydrophobicContact CB-SD 4.35Å; L698-M772 HydrophobicContact CD2-SD 3.8Å; L701-M772 HydrophobicContact CB-CE 4.41Å; L701-M772 HydrophobicContact CD2-CE 3.57Å; L701-M772 HydrophobicContact CG-CE 3.71Å; L705-M772 HydrophobicContact CD1-CE 4.13Å; L758-M772 HydrophobicContact CD1-CE 3.38Å; L758-M772 HydrophobicContact CD1-SD 4.49Å; L758-M772 HydrophobicContact CD2-CE 4.17Å; L758-M772 HydrophobicContact CG-CE 4.44Å; M772-S775 WeakPolarHBondContact O-CB 3.36Å; M772-S775 PolarHBondContact O-N 2.9Å; M772-I776 HydrophobicContact CG-CD1 4.1Å; M772-I776 VanDerWaalsContact O-CG1 3.31Å; M772-I776 WeakPolarHBondContact O-CG1 3.25Å; M772-I776 PolarHBondContact O-N 3.15Å; M772-I776 HydrophobicContact SD-CD1 4.48Å
773	N	84.9	Confident	83	Confident	83 Å²	83	55.2 Å²	55.2	44%	0.444	28%	0.28	S	S	.	.	H	α-helix	trans	-71	-41.3	-176.8	-63.9	3.2	0	0	0	110.8	W609 S771 I776 N777	W609-N773 HydrophobicContact CH2-CB 4.17Å; W609-N773 HydrophobicContact CZ2-CB 4.28Å; S771-N773 PolarHBondContact O-N 2.91Å; S771-N773 PolarHBondContact OG-N 2.64Å; N773-I776 PolarHBondContact O-N 3.45Å; N773-N777 WeakPolarHBondContact O-CB 3.49Å; N773-N777 PolarHBondContact O-N 2.89Å; N773-N777 VanDerWaalsContact O-N 3.07Å; N773-N777 PolarHBondContact O-ND2 3.03Å; N773-N777 VanDerWaalsContact O-ND2 3.17Å
774	D	84.4	Confident	83	Confident	86 Å²	86	53.6 Å²	53.6	46%	0.46	27%	0.267	S	S	.	.	H	α-helix	trans	-67.4	-40	175.4	-54.9	-40.2	0	0	0	110.1	S771 I776 N777 D778	S771-D774 VanDerWaalsContact CB-OD2 3.29Å; S771-D774 WeakPolarHBondContact CB-OD2 3.31Å; S771-D774 PolarHBondContact O-N 3.42Å; S771-D774 PolarHBondContact OG-N 2.89Å; S771-D774 PolarHBondContact OG-OD2 2.96Å; D774-I776 VanDerWaalsContact C-N 3.34Å; D774-I776 PolarHBondContact O-N 3.45Å; D774-N777 PolarHBondContact O-N 3.28Å; D774-N777 VanDerWaalsContact O-N 3.16Å; D774-D778 WeakPolarHBondContact O-CB 3.44Å; D774-D778 PolarHBondContact O-N 2.77Å
775	S	84.7	Confident	83.2	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-54.6	-47.6	174.1	-48.6	0	0	0	0	112	L762 S769 S771 M772 V779	L762-S775 VanDerWaalsContact CD2-OG 3.27Å; L762-S775 WeakPolarHBondContact CD2-OG 3.25Å; S769-S775 WeakPolarHBondContact OG-CA 3.39Å; S769-S775 WeakPolarHBondContact OG-CB 3.27Å; S769-S775 PolarHBondContact OG-N 3.29Å; S769-S775 PolarHBondContact OG-OG 3.07Å; S771-S775 WeakPolarHBondContact O-CB 3.33Å; S771-S775 PolarHBondContact O-N 2.92Å; S771-S775 PolarHBondContact O-OG 2.93Å; M772-S775 WeakPolarHBondContact O-CB 3.36Å; M772-S775 PolarHBondContact O-N 2.9Å; S775-V779 WeakPolarHBondContact O-CB 3.48Å; S775-V779 VanDerWaalsContact O-CG2 3.25Å; S775-V779 WeakPolarHBondContact O-CG2 3.12Å; S775-V779 PolarHBondContact O-N 3.24Å
776	I	86.9	Confident	83	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66.9	-42.6	179.9	-66.9	162.1	0	0	0	110.1	W609 L695 L698 L699 M772 N773 D774 V779 L780	W609-I776 HydrophobicContact CD2-CD1 4.44Å; W609-I776 HydrophobicContact CD2-CG2 3.89Å; W609-I776 VanDerWaalsContact CE2-CG2 3.42Å; W609-I776 HydrophobicContact CE3-CD1 4.14Å; W609-I776 HydrophobicContact CG-CG2 4.18Å; W609-I776 HydrophobicContact CH2-CB 4.33Å; W609-I776 HydrophobicContact CH2-CD1 3.47Å; W609-I776 VanDerWaalsContact CH2-CD1 3.47Å; W609-I776 HydrophobicContact CH2-CG1 4.48Å; W609-I776 HydrophobicContact CZ2-CB 3.77Å; W609-I776 HydrophobicContact CZ2-CD1 3.82Å; W609-I776 HydrophobicContact CZ2-CG1 4.39Å; W609-I776 HydrophobicContact CZ2-CG2 3.79Å; W609-I776 HydrophobicContact CZ3-CD1 3.65Å; L695-I776 HydrophobicContact CD1-CG2 4.01Å; L698-I776 HydrophobicContact CB-CD1 4.21Å; L698-I776 HydrophobicContact CB-CG1 3.58Å; L698-I776 HydrophobicContact CD1-CG1 4.1Å; L698-I776 HydrophobicContact CG-CG1 4.44Å; L699-I776 HydrophobicContact CD2-CD1 4.37Å; L699-I776 HydrophobicContact CD2-CG2 4.15Å; M772-I776 HydrophobicContact CG-CD1 4.1Å; M772-I776 VanDerWaalsContact O-CG1 3.31Å; M772-I776 WeakPolarHBondContact O-CG1 3.25Å; M772-I776 PolarHBondContact O-N 3.15Å; M772-I776 HydrophobicContact SD-CD1 4.48Å; N773-I776 PolarHBondContact O-N 3.45Å; D774-I776 VanDerWaalsContact C-N 3.34Å; D774-I776 PolarHBondContact O-N 3.45Å; I776-V779 PolarHBondContact O-N 2.8Å; I776-L780 HydrophobicContact CG2-CD1 3.97Å; I776-L780 HydrophobicContact CG2-CG 4.35Å; I776-L780 WeakPolarHBondContact O-CB 3.41Å; I776-L780 WeakPolarHBondContact O-CG 3.48Å; I776-L780 PolarHBondContact O-N 2.73Å
777	N	86.7	Confident	82.9	Confident	53 Å²	53	52.3 Å²	52.3	28%	0.283	26%	0.257	S	S	.	.	H	α-helix	trans	-69.9	-36.5	-179.5	-71.6	-33	0	0	0	112.8	W609 Q613 N773 D774 L780 K781	W609-N777 PolarHBondContact NE1-OD1 2.85Å; W609-N777 VanDerWaalsContact NE1-OD1 3.17Å; Q613-N777 PolarHBondContact OE1-ND2 2.91Å; Q613-N777 PolarHBondContact OE1-OD1 3.12Å; N773-N777 WeakPolarHBondContact O-CB 3.49Å; N773-N777 PolarHBondContact O-N 2.89Å; N773-N777 VanDerWaalsContact O-N 3.07Å; N773-N777 PolarHBondContact O-ND2 3.03Å; N773-N777 VanDerWaalsContact O-ND2 3.17Å; D774-N777 PolarHBondContact O-N 3.28Å; D774-N777 VanDerWaalsContact O-N 3.16Å; N777-L780 PolarHBondContact O-N 3.18Å; N777-K781 WeakPolarHBondContact O-CB 3.25Å; N777-K781 PolarHBondContact O-N 2.69Å
778	D	85.9	Confident	82.5	Confident	69 Å²	69	57 Å²	57	37%	0.369	28%	0.279	S	S	.	.	H	α-helix	trans	-65.6	-43.5	172.8	-77.4	-18.9	0	0	0	111.4	D774 K781 Q782	D774-D778 WeakPolarHBondContact O-CB 3.44Å; D774-D778 PolarHBondContact O-N 2.77Å; D778-K781 WeakPolarHBondContact O-CB 3.43Å; D778-K781 PolarHBondContact O-N 2.56Å; D778-Q782 WeakPolarHBondContact O-CG 2.98Å; D778-Q782 PolarHBondContact O-N 3.05Å
779	V	87.5	Confident	82.2	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.3	-39.7	174.7	170.1	0	0	0	0	111.4	T691 K694 L695 L698 I767 S775 I776 K781 Q782 F783	T691-V779 HydrophobicContact CG2-CG1 3.85Å; K694-V779 HydrophobicContact CB-CG1 4.17Å; K694-V779 HydrophobicContact CB-CG2 4.33Å; L695-V779 HydrophobicContact CB-CG1 3.77Å; L695-V779 HydrophobicContact CD1-CG1 4.29Å; L698-V779 HydrophobicContact CD1-CG2 4.01Å; I767-V779 HydrophobicContact CD1-CG2 3.6Å; I767-V779 HydrophobicContact CG1-CG2 4.26Å; S775-V779 WeakPolarHBondContact O-CB 3.48Å; S775-V779 VanDerWaalsContact O-CG2 3.25Å; S775-V779 WeakPolarHBondContact O-CG2 3.12Å; S775-V779 PolarHBondContact O-N 3.24Å; I776-V779 PolarHBondContact O-N 2.8Å; V779-K781 VanDerWaalsContact C-N 3.3Å; V779-K781 PolarHBondContact O-N 3.48Å; V779-Q782 PolarHBondContact O-N 2.83Å; V779-F783 VanDerWaalsContact O-CB 3.24Å; V779-F783 WeakPolarHBondContact O-CB 3.24Å; V779-F783 PolarHBondContact O-N 2.97Å
780	L	87.8	Confident	81.7	Confident	16 Å²	16	55.1 Å²	55.1	8%	0.084	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-37.9	173.5	-75.6	171	0	0	0	112.1	L606 L610 L695 I776 N777 Y784 I817	L606-L780 HydrophobicContact CD1-CD2 3.84Å; L610-L780 HydrophobicContact CD2-CD1 4.3Å; L695-L780 HydrophobicContact CD1-CD2 3.84Å; L695-L780 HydrophobicContact CD1-CG 3.97Å; L695-L780 HydrophobicContact CD2-CD2 3.78Å; L695-L780 HydrophobicContact CG-CD2 4.49Å; I776-L780 HydrophobicContact CG2-CD1 3.97Å; I776-L780 HydrophobicContact CG2-CG 4.35Å; I776-L780 WeakPolarHBondContact O-CB 3.41Å; I776-L780 WeakPolarHBondContact O-CG 3.48Å; I776-L780 PolarHBondContact O-N 2.73Å; N777-L780 PolarHBondContact O-N 3.18Å; L780-Y784 WeakPolarHBondContact O-CB 3.39Å; L780-Y784 PolarHBondContact O-N 2.74Å; L780-I817 HydrophobicContact CD2-CD1 3.41Å; L780-I817 VanDerWaalsContact CD2-CD1 3.41Å; L780-I817 HydrophobicContact CD2-CG1 4Å
781	K	86.5	Confident	81.2	Confident	128 Å²	128	48.8 Å²	48.8	56%	0.557	24%	0.239	S	C	*	.	H	α-helix	trans	-67.1	-50.7	175.6	-174.8	-176.1	170.8	-165.4	0	111.6	N777 D778 V779 F783 Y784 E785	N777-K781 WeakPolarHBondContact O-CB 3.25Å; N777-K781 PolarHBondContact O-N 2.69Å; D778-K781 WeakPolarHBondContact O-CB 3.43Å; D778-K781 PolarHBondContact O-N 2.56Å; V779-K781 VanDerWaalsContact C-N 3.3Å; V779-K781 PolarHBondContact O-N 3.48Å; K781-F783 VanDerWaalsContact C-N 3.27Å; K781-F783 PolarHBondContact O-N 2.95Å; K781-Y784 PolarHBondContact O-N 3.09Å; K781-Y784 VanDerWaalsContact O-N 3.14Å; K781-E785 WeakPolarHBondContact CE-OE1 3.49Å; K781-E785 IonicContact NZ-OE1 3.87Å; K781-E785 WeakPolarHBondContact O-CG 3.43Å; K781-E785 PolarHBondContact O-N 3.41Å
782	Q	85.2	Confident	80.3	Confident	69 Å²	69	54.9 Å²	54.9	32%	0.322	26%	0.262	S	S	.	.	H	α-helix	trans	-55.4	-43.9	174.7	-70.9	172.2	26.5	0	0	111.4	T691 D778 V779 Y784 E785 I786	T691-Q782 HydrophobicContact CG2-CB 4.4Å; D778-Q782 WeakPolarHBondContact O-CG 2.98Å; D778-Q782 PolarHBondContact O-N 3.05Å; V779-Q782 PolarHBondContact O-N 2.83Å; Q782-Y784 PolarHBondContact O-N 2.79Å; Q782-E785 PolarHBondContact O-N 2.88Å; Q782-I786 VanDerWaalsContact O-CG1 3.27Å; Q782-I786 WeakPolarHBondContact O-CG1 3.49Å; Q782-I786 PolarHBondContact O-N 3.29Å
783	F	86.1	Confident	79.2	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.4	-43.2	178	-168	-108.4	0	0	0	112	L688 T691 C692 V779 K781 I786 I787 C813 V814 I817	L688-F783 HydrophobicContact CD1-CD2 3.85Å; L688-F783 HydrophobicContact CD1-CE2 3.4Å; L688-F783 VanDerWaalsContact CD1-CE2 3.4Å; L688-F783 HydrophobicContact CD1-CZ 3.97Å; L688-F783 HydrophobicContact CG-CE2 4.21Å; T691-F783 HydrophobicContact CG2-CB 3.74Å; T691-F783 HydrophobicContact CG2-CD2 3.83Å; T691-F783 HydrophobicContact CG2-CG 4.28Å; C692-F783 HydrophobicContact CB-CE2 4.02Å; C692-F783 WeakPolarHBondContact SG-CE2 3.21Å; C692-F783 VanDerWaalsContact SG-CZ 3.51Å; V779-F783 VanDerWaalsContact O-CB 3.24Å; V779-F783 WeakPolarHBondContact O-CB 3.24Å; V779-F783 PolarHBondContact O-N 2.97Å; K781-F783 VanDerWaalsContact C-N 3.27Å; K781-F783 PolarHBondContact O-N 2.95Å; F783-I786 PolarHBondContact O-N 3.45Å; F783-I787 HydrophobicContact CD1-CD1 3.45Å; F783-I787 VanDerWaalsContact CD1-CD1 3.45Å; F783-I787 HydrophobicContact CD1-CG1 4.48Å; F783-I787 HydrophobicContact CE1-CD1 3.35Å; F783-I787 HydrophobicContact CE1-CG1 4.42Å; F783-I787 HydrophobicContact CG-CD1 4.24Å; F783-I787 HydrophobicContact CZ-CD1 4.03Å; F783-I787 WeakPolarHBondContact O-CD1 3.39Å; F783-I787 VanDerWaalsContact O-CG1 3.26Å; F783-I787 WeakPolarHBondContact O-CG1 3.49Å; F783-I787 PolarHBondContact O-N 3.48Å; F783-C813 HydrophobicContact CE1-CB 4.37Å; F783-C813 HydrophobicContact CZ-CB 4.26Å; F783-V814 HydrophobicContact CE1-CG2 4.17Å; F783-V814 HydrophobicContact CZ-CG2 3.75Å; F783-I817 HydrophobicContact CD1-CB 4.33Å; F783-I817 HydrophobicContact CD1-CD1 3.36Å; F783-I817 HydrophobicContact CD1-CG1 4.41Å; F783-I817 HydrophobicContact CD1-CG2 4.25Å; F783-I817 HydrophobicContact CE1-CB 4.49Å; F783-I817 HydrophobicContact CE1-CD1 3.58Å; F783-I817 HydrophobicContact CG-CD1 4.4Å
784	Y	83.2	Confident	78.3	Confident	52 Å²	52	60 Å²	60	20%	0.204	28%	0.283	C	S	.	.	H	α-helix	trans	-66.6	-40.8	177	-177.4	-120.2	0	0	0	112.8	L780 K781 Q782 I787 Q788 I817 N821	L780-Y784 WeakPolarHBondContact O-CB 3.39Å; L780-Y784 PolarHBondContact O-N 2.74Å; K781-Y784 PolarHBondContact O-N 3.09Å; K781-Y784 VanDerWaalsContact O-N 3.14Å; Q782-Y784 PolarHBondContact O-N 2.79Å; Y784-I787 PolarHBondContact O-N 3.34Å; Y784-Q788 HydrophobicContact CD1-CG 4.34Å; Y784-Q788 HydrophobicContact CD2-CG 4.39Å; Y784-Q788 HydrophobicContact CE1-CG 4.02Å; Y784-Q788 HydrophobicContact CE2-CG 4.06Å; Y784-Q788 WeakPolarHBondContact O-CG 3.23Å; Y784-Q788 PolarHBondContact O-N 3.05Å; Y784-Q788 PolarHBondContact OH-NE2 2.9Å; Y784-I817 HydrophobicContact CD2-CG2 4.25Å; Y784-N821 VanDerWaalsContact CD1-ND2 3.31Å; Y784-N821 WeakPolarHBondContact CD1-ND2 3.41Å; Y784-N821 HydrophobicContact CD2-CB 4.21Å; Y784-N821 WeakPolarHBondContact CD2-ND2 3.31Å; Y784-N821 HydrophobicContact CE1-CB 4.13Å; Y784-N821 HydrophobicContact CE2-CB 3.69Å; Y784-N821 WeakPolarHBondContact CE2-ND2 3.4Å
785	E	82.8	Confident	77.4	Confident	84 Å²	84	58.3 Å²	58.3	39%	0.393	27%	0.273	S	S	.	.	H	α-helix	trans	-59.4	-47.8	174.7	-71.3	170.8	177	0	0	111	K781 Q782 I787 Q788 H789	K781-E785 WeakPolarHBondContact CE-OE1 3.49Å; K781-E785 IonicContact NZ-OE1 3.87Å; K781-E785 WeakPolarHBondContact O-CG 3.43Å; K781-E785 PolarHBondContact O-N 3.41Å; Q782-E785 PolarHBondContact O-N 2.88Å; E785-I787 VanDerWaalsContact C-N 3.29Å; E785-I787 PolarHBondContact O-N 3.12Å; E785-Q788 PolarHBondContact O-N 2.79Å; E785-H789 PolarHBondContact O-CD2 3.1Å; E785-H789 PolarHBondContact O-N 3.2Å
786	I	80.4	Confident	76.6	Confident	32 Å²	32	58.7 Å²	58.7	16%	0.164	27%	0.274	C	S	.	.	H	α-helix	trans	-59.8	-38.5	175.7	-64.4	163.2	0	0	0	111.7	D687 L688 Q782 F783 N790	D687-I786 HydrophobicContact CB-CD1 4.25Å; L688-I786 HydrophobicContact CB-CG2 3.92Å; L688-I786 HydrophobicContact CD1-CG2 3.92Å; Q782-I786 VanDerWaalsContact O-CG1 3.27Å; Q782-I786 WeakPolarHBondContact O-CG1 3.49Å; Q782-I786 PolarHBondContact O-N 3.29Å; F783-I786 PolarHBondContact O-N 3.45Å; I786-N790 PolarHBondContact O-ND2 2.84Å
787	I	77.4	Confident	75.8	Confident	5 Å²	5	61.1 Å²	61.1	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-69.8	-43.9	176.6	-65.8	160.8	0	0	0	111.5	L688 F783 Y784 E785 H789 N790 Y791 V814 C818	L688-I787 HydrophobicContact CD1-CG1 3.97Å; F783-I787 HydrophobicContact CD1-CD1 3.45Å; F783-I787 VanDerWaalsContact CD1-CD1 3.45Å; F783-I787 HydrophobicContact CD1-CG1 4.48Å; F783-I787 HydrophobicContact CE1-CD1 3.35Å; F783-I787 HydrophobicContact CE1-CG1 4.42Å; F783-I787 HydrophobicContact CG-CD1 4.24Å; F783-I787 HydrophobicContact CZ-CD1 4.03Å; F783-I787 WeakPolarHBondContact O-CD1 3.39Å; F783-I787 VanDerWaalsContact O-CG1 3.26Å; F783-I787 WeakPolarHBondContact O-CG1 3.49Å; F783-I787 PolarHBondContact O-N 3.48Å; Y784-I787 PolarHBondContact O-N 3.34Å; E785-I787 VanDerWaalsContact C-N 3.29Å; E785-I787 PolarHBondContact O-N 3.12Å; I787-H789 PolarHBondContact O-N 3.44Å; I787-N790 CarbonylContact O-C 3.24Å; I787-N790 WeakPolarHBondContact O-CA 3.4Å; I787-N790 PolarHBondContact O-N 2.89Å; I787-Y791 HydrophobicContact CG2-CD2 3.87Å; I787-Y791 HydrophobicContact CG2-CG 4.4Å; I787-Y791 WeakPolarHBondContact O-CB 3.4Å; I787-Y791 PolarHBondContact O-N 2.82Å; I787-V814 HydrophobicContact CD1-CB 4.22Å; I787-V814 HydrophobicContact CD1-CG1 3.97Å; I787-V814 HydrophobicContact CD1-CG2 4.09Å; I787-V814 HydrophobicContact CG1-CG1 4.23Å; I787-V814 HydrophobicContact CG1-CG2 4.37Å; I787-V814 HydrophobicContact CG2-CG1 4.23Å; I787-C818 VanDerWaalsContact CG2-SG 3.55Å
788	Q	74.4	Confident	75.2	Confident	103 Å²	103	62 Å²	62	48%	0.481	29%	0.291	S	S	.	.	H	α-helix	trans	-55.2	-38.9	-179.1	-78.7	-166.2	-31.3	0	0	111.9	Y784 E785 N790	Y784-Q788 HydrophobicContact CD1-CG 4.34Å; Y784-Q788 HydrophobicContact CD2-CG 4.39Å; Y784-Q788 HydrophobicContact CE1-CG 4.02Å; Y784-Q788 HydrophobicContact CE2-CG 4.06Å; Y784-Q788 WeakPolarHBondContact O-CG 3.23Å; Y784-Q788 PolarHBondContact O-N 3.05Å; Y784-Q788 PolarHBondContact OH-NE2 2.9Å; E785-Q788 PolarHBondContact O-N 2.79Å; Q788-N790 VanDerWaalsContact C-N 3.26Å; Q788-N790 PolarHBondContact O-N 3.08Å
789	H	69	Low	74.7	Confident	145 Å²	145	58.8 Å²	58.8	67%	0.671	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.4	174.3	-68.8	-60.9	0	0	0	114.6	E785 I787	E785-H789 PolarHBondContact O-CD2 3.1Å; E785-H789 PolarHBondContact O-N 3.2Å; I787-H789 PolarHBondContact O-N 3.44Å
790	N	66.8	Low	74.2	Confident	7 Å²	7	59.1 Å²	59.1	4%	0.037	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-16.3	-176.5	-80.6	-70.3	0	0	0	115	L497 K500 Q684 I786 I787 Q788 Q792	L497-N790 HydrophobicContact CD2-CB 4.24Å; K500-N790 PolarHBondContact NZ-OD1 2.79Å; Q684-N790 PolarHBondContact OE1-ND2 2.79Å; Q684-N790 PolarHBondContact OE1-OD1 3.33Å; I786-N790 PolarHBondContact O-ND2 2.84Å; I787-N790 CarbonylContact O-C 3.24Å; I787-N790 WeakPolarHBondContact O-CA 3.4Å; I787-N790 PolarHBondContact O-N 2.89Å; Q788-N790 VanDerWaalsContact C-N 3.26Å; Q788-N790 PolarHBondContact O-N 3.08Å; N790-Q792 PolarHBondContact O-N 2.97Å; N790-Q792 VanDerWaalsContact O-N 3.09Å
791	Y	64.7	Low	73.7	Confident	30 Å²	30	63.8 Å²	63.8	12%	0.118	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-8.9	-167.9	-160.1	-113.4	0	0	0	115.2	L520 L524 I787 M796 C818	L520-Y791 HydrophobicContact CB-CE1 4.46Å; L520-Y791 HydrophobicContact CD2-CD1 3.55Å; L520-Y791 HydrophobicContact CD2-CD2 4.16Å; L520-Y791 HydrophobicContact CD2-CE1 3.3Å; L520-Y791 HydrophobicContact CD2-CE2 3.92Å; L520-Y791 HydrophobicContact CD2-CG 3.98Å; L520-Y791 VanDerWaalsContact CD2-CZ 3.49Å; L520-Y791 WeakPolarHBondContact CD2-O 3.46Å; L520-Y791 HydrophobicContact CG-CE1 3.79Å; L520-Y791 HydrophobicContact CG-CE2 4.14Å; L524-Y791 HydrophobicContact CD1-CE2 3.95Å; L524-Y791 WeakPolarHBondContact CD1-OH 3.47Å; L524-Y791 HydrophobicContact CG-CE2 4.49Å; L524-Y791 WeakPolarHBondContact CG-OH 3.47Å; I787-Y791 HydrophobicContact CG2-CD2 3.87Å; I787-Y791 HydrophobicContact CG2-CG 4.4Å; I787-Y791 WeakPolarHBondContact O-CB 3.4Å; I787-Y791 PolarHBondContact O-N 2.82Å; Y791-M796 HydrophobicContact CD2-CE 4.14Å; Y791-M796 HydrophobicContact CD2-SD 3.5Å; Y791-M796 WeakPolarHBondContact CD2-SD 3.4Å; Y791-M796 HydrophobicContact CE2-SD 3.89Å; Y791-M796 HydrophobicContact CG-SD 4.38Å; Y791-C818 HydrophobicContact CE2-CB 4.15Å; Y791-C818 VanDerWaalsContact CE2-SG 3.58Å
792	Q	58.8	Low	73.4	Confident	170 Å²	170	62.7 Å²	62.7	79%	0.794	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-6.3	-174.1	-64.4	-170.3	-19	0	0	115.1	N790	N790-Q792 PolarHBondContact O-N 2.97Å; N790-Q792 VanDerWaalsContact O-N 3.09Å
793	S	59.8	Low	73.3	Confident	24 Å²	24	59.5 Å²	59.5	17%	0.168	28%	0.28	C	S	.	.			trans	-85.4	137.3	-173.5	76.6	0	0	0	0	114.2	E795 M796	S793-E795 PolarHBondContact O-N 3.07Å; S793-M796 WeakPolarHBondContact O-CB 2.71Å; S793-M796 PolarHBondContact O-N 2.93Å; S793-M796 VanDerWaalsContact O-N 3.1Å; S793-M796 PolarHBondContact OG-N 3.48Å
794	K	65.1	Low	72.9	Confident	186 Å²	186	61 Å²	61	81%	0.809	29%	0.288	S	S	*	.	H	α-helix	trans	-59.8	-30.5	169.6	-69.2	177.2	-179.8	171.2	0	112.1	M796 I797	K794-M796 PolarHBondContact O-N 2.9Å; K794-I797 PolarHBondContact O-N 3.05Å; K794-I797 VanDerWaalsContact O-N 3.12Å
795	E	66.1	Low	72.5	Confident	52 Å²	52	61.6 Å²	61.6	24%	0.243	30%	0.303	C	S	.	.	H	α-helix	trans	-57.3	-31.3	174.2	-71.1	163.7	171.8	0	0	113	K500 S793 I797 I798 S799	K500-E795 VanDerWaalsContact CG-OE2 3.24Å; K500-E795 WeakPolarHBondContact CG-OE2 3.14Å; S793-E795 PolarHBondContact O-N 3.07Å; E795-I797 VanDerWaalsContact C-N 3.29Å; E795-I797 PolarHBondContact O-N 3.33Å; E795-I798 PolarHBondContact O-N 2.86Å; E795-S799 PolarHBondContact O-N 2.8Å; E795-S799 PolarHBondContact O-OG 2.62Å
796	M	68.4	Low	72	Confident	8 Å²	8	59 Å²	59	4%	0.039	29%	0.294	C	S	.	.	H	α-helix	trans	-60	-39.7	174.8	-172.8	172	-74.3	0	0	111.3	Y791 S793 K794 I798 S799 L800	Y791-M796 HydrophobicContact CD2-CE 4.14Å; Y791-M796 HydrophobicContact CD2-SD 3.5Å; Y791-M796 WeakPolarHBondContact CD2-SD 3.4Å; Y791-M796 HydrophobicContact CE2-SD 3.89Å; Y791-M796 HydrophobicContact CG-SD 4.38Å; S793-M796 WeakPolarHBondContact O-CB 2.71Å; S793-M796 PolarHBondContact O-N 2.93Å; S793-M796 VanDerWaalsContact O-N 3.1Å; S793-M796 PolarHBondContact OG-N 3.48Å; K794-M796 PolarHBondContact O-N 2.9Å; M796-I798 VanDerWaalsContact C-N 3.32Å; M796-I798 PolarHBondContact O-N 2.97Å; M796-S799 CarbonylContact O-C 3.58Å; M796-S799 WeakPolarHBondContact O-CA 3.29Å; M796-S799 VanDerWaalsContact O-CB 3.27Å; M796-S799 WeakPolarHBondContact O-CB 3.32Å; M796-S799 PolarHBondContact O-N 3.13Å; M796-S799 VanDerWaalsContact O-N 3.09Å; M796-L800 HydrophobicContact CG-CG 4.47Å; M796-L800 VanDerWaalsContact O-CG 3.32Å; M796-L800 WeakPolarHBondContact O-CG 3.42Å; M796-L800 PolarHBondContact O-N 3.37Å
797	I	70.2	Confident	72	Confident	50 Å²	50	57.6 Å²	57.6	26%	0.256	29%	0.287	S	S	.	.	H	α-helix	trans	-63.6	-39.7	178.3	-58.7	176.6	0	0	0	111.1	L520 K794 E795 S799 L800 L801	L520-I797 HydrophobicContact CD1-CD1 4.34Å; L520-I797 HydrophobicContact CD1-CG1 3.76Å; K794-I797 PolarHBondContact O-N 3.05Å; K794-I797 VanDerWaalsContact O-N 3.12Å; E795-I797 VanDerWaalsContact C-N 3.29Å; E795-I797 PolarHBondContact O-N 3.33Å; I797-S799 VanDerWaalsContact C-N 3.31Å; I797-S799 PolarHBondContact O-N 3.32Å; I797-L800 PolarHBondContact O-N 2.89Å; I797-L801 WeakPolarHBondContact O-CG 3.3Å; I797-L801 PolarHBondContact O-N 2.99Å; I797-L801 VanDerWaalsContact O-N 3.12Å
798	I	73.3	Confident	72.4	Confident	72 Å²	72	57.5 Å²	57.5	37%	0.369	29%	0.286	S	S	.	.	H	α-helix	trans	-65.5	-38.3	175.1	-59	175.3	0	0	0	110.3	E795 M796 L801 K802	E795-I798 PolarHBondContact O-N 2.86Å; M796-I798 VanDerWaalsContact C-N 3.32Å; M796-I798 PolarHBondContact O-N 2.97Å; I798-L801 PolarHBondContact O-N 2.89Å; I798-K802 HydrophobicContact CG2-CD 4.43Å; I798-K802 WeakPolarHBondContact O-CG 3.39Å; I798-K802 PolarHBondContact O-N 2.86Å
799	S	74.6	Confident	72.9	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.014	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-45.9	175.5	-51.6	0	0	0	0	112.1	C496 E795 M796 I797 L801 K802 S803	C496-S799 WeakPolarHBondContact CB-OG 3.34Å; C496-S799 PolarHBondContact SG-OG 3.35Å; C496-S799 VanDerWaalsContact SG-OG 3.34Å; E795-S799 PolarHBondContact O-N 2.8Å; E795-S799 PolarHBondContact O-OG 2.62Å; M796-S799 CarbonylContact O-C 3.58Å; M796-S799 WeakPolarHBondContact O-CA 3.29Å; M796-S799 VanDerWaalsContact O-CB 3.27Å; M796-S799 WeakPolarHBondContact O-CB 3.32Å; M796-S799 PolarHBondContact O-N 3.13Å; M796-S799 VanDerWaalsContact O-N 3.09Å; I797-S799 VanDerWaalsContact C-N 3.31Å; I797-S799 PolarHBondContact O-N 3.32Å; S799-L801 VanDerWaalsContact C-N 3.31Å; S799-L801 PolarHBondContact O-N 3.29Å; S799-K802 PolarHBondContact O-N 3.34Å; S799-S803 WeakPolarHBondContact O-CB 3.27Å; S799-S803 PolarHBondContact O-N 2.85Å; S799-S803 PolarHBondContact O-OG 3.42Å
800	L	77.5	Confident	73.7	Confident	6 Å²	6	45.7 Å²	45.7	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-55	-48	174.7	-67.4	174.3	0	0	0	110.2	L520 C523 L524 Y527 M796 I797 S803 I804 T811	L520-L800 HydrophobicContact CD1-CD1 4.31Å; C523-L800 HydrophobicContact CB-CD1 4.48Å; L524-L800 HydrophobicContact CD2-CD1 3.72Å; L524-L800 HydrophobicContact CD2-CD2 3.68Å; L524-L800 HydrophobicContact CD2-CG 4.36Å; Y527-L800 HydrophobicContact CD1-CD2 4.44Å; Y527-L800 HydrophobicContact CD2-CB 4.26Å; Y527-L800 WeakPolarHBondContact CD2-O 3.45Å; Y527-L800 VanDerWaalsContact CE2-O 3.29Å; Y527-L800 WeakPolarHBondContact CE2-O 3.5Å; Y527-L800 HydrophobicContact CG-CD2 4.31Å; M796-L800 HydrophobicContact CG-CG 4.47Å; M796-L800 VanDerWaalsContact O-CG 3.32Å; M796-L800 WeakPolarHBondContact O-CG 3.42Å; M796-L800 PolarHBondContact O-N 3.37Å; I797-L800 PolarHBondContact O-N 2.89Å; L800-S803 WeakPolarHBondContact O-CB 3.16Å; L800-S803 PolarHBondContact O-N 3Å; L800-S803 VanDerWaalsContact O-N 3.16Å; L800-I804 WeakPolarHBondContact O-CG1 3.33Å; L800-I804 PolarHBondContact O-N 3.46Å; L800-T811 HydrophobicContact CD2-CG2 3.47Å; L800-T811 VanDerWaalsContact CD2-CG2 3.47Å
801	L	77.2	Confident	74.5	Confident	115 Å²	115	45.4 Å²	45.4	60%	0.602	23%	0.23	S	C	*	.	H	α-helix	trans	-64	-43.5	179.8	-69.3	172.1	0	0	0	112.9	I797 I798 S799 S803 I804	I797-L801 WeakPolarHBondContact O-CG 3.3Å; I797-L801 PolarHBondContact O-N 2.99Å; I797-L801 VanDerWaalsContact O-N 3.12Å; I798-L801 PolarHBondContact O-N 2.89Å; S799-L801 VanDerWaalsContact C-N 3.31Å; S799-L801 PolarHBondContact O-N 3.29Å; L801-S803 PolarHBondContact O-N 3.43Å; L801-I804 HydrophobicContact CD2-CD1 4.04Å; L801-I804 PolarHBondContact O-N 2.89Å
802	K	80.1	Confident	75.5	Confident	105 Å²	105	44.6 Å²	44.6	46%	0.457	23%	0.228	S	C	.	.	H	α-helix	trans	-61.5	-32.4	173.7	-72.6	175.9	178.2	178.9	0	112.2	P492 I798 S799 I804	P492-K802 HydrophobicContact CB-CB 3.85Å; P492-K802 HydrophobicContact CB-CD 4.42Å; P492-K802 HydrophobicContact CG-CB 4.27Å; I798-K802 HydrophobicContact CG2-CD 4.43Å; I798-K802 WeakPolarHBondContact O-CG 3.39Å; I798-K802 PolarHBondContact O-N 2.86Å; S799-K802 PolarHBondContact O-N 3.34Å; K802-I804 VanDerWaalsContact C-N 3.3Å; K802-I804 PolarHBondContact O-N 2.94Å
803	S	82.6	Confident	76.8	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.007	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	5.5	-177	-61.9	0	0	0	0	114.7	Y527 S799 L800 L801 P806 P807 D808 T811	Y527-S803 PolarHBondContact OH-O 3.03Å; Y527-S803 VanDerWaalsContact OH-O 3.11Å; S799-S803 WeakPolarHBondContact O-CB 3.27Å; S799-S803 PolarHBondContact O-N 2.85Å; S799-S803 PolarHBondContact O-OG 3.42Å; L800-S803 WeakPolarHBondContact O-CB 3.16Å; L800-S803 PolarHBondContact O-N 3Å; L800-S803 VanDerWaalsContact O-N 3.16Å; L801-S803 PolarHBondContact O-N 3.43Å; S803-P806 CarbonylContact C-O 3.58Å; S803-P807 CarbonylContact O-C 3.51Å; S803-P807 VanDerWaalsContact O-CA 3.26Å; S803-P807 WeakPolarHBondContact O-CA 3.31Å; S803-D808 PolarHBondContact O-N 3.1Å; S803-T811 PolarHBondContact OG-OG1 2.69Å
804	I	79.3	Confident	78	Confident	32 Å²	32	35.5 Å²	35.5	16%	0.164	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-79.9	-31.6	177.9	-70.9	171.5	0	0	0	112.1	Y527 T530 L534 L800 L801 K802 P806 P807	Y527-I804 HydrophobicContact CD2-CD1 4.25Å; Y527-I804 HydrophobicContact CD2-CG1 3.54Å; Y527-I804 HydrophobicContact CE2-CG1 3.71Å; T530-I804 HydrophobicContact CG2-CG2 3.7Å; L534-I804 HydrophobicContact CD1-CG2 3.64Å; L534-I804 VanDerWaalsContact CD1-O 3.23Å; L534-I804 WeakPolarHBondContact CD1-O 3.47Å; L800-I804 WeakPolarHBondContact O-CG1 3.33Å; L800-I804 PolarHBondContact O-N 3.46Å; L801-I804 HydrophobicContact CD2-CD1 4.04Å; L801-I804 PolarHBondContact O-N 2.89Å; K802-I804 VanDerWaalsContact C-N 3.3Å; K802-I804 PolarHBondContact O-N 2.94Å; I804-P806 CarbonylContact C-O 3.59Å; I804-P806 CarbonylContact O-C 3.47Å; I804-P807 WeakPolarHBondContact O-CD 3.46Å; I804-P807 WeakPolarHBondContact O-CG 3.29Å; I804-P807 VanDerWaalsContact O-N 3.17Å
805	A	73.5	Confident	78.9	Confident	64 Å²	64	26.7 Å²	26.7	53%	0.529	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144.2	97.2	-168.1	0	0	0	0	0	112.5	F543	F543-A805 HydrophobicContact CE1-CB 3.84Å; F543-A805 HydrophobicContact CZ-CB 3.98Å
806	P	73.8	Confident	79.8	Confident	30 Å²	30	26.1 Å²	26.1	20%	0.195	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	cis	-65.5	152.3	-3.5	29	-36.3	0	0	0	112.6	E542 P726 S803 I804 D808	E542-P806 HydrophobicContact CB-CB 4.02Å; E542-P806 HydrophobicContact CB-CG 4.23Å; P726-P806 HydrophobicContact CB-CB 4.18Å; P726-P806 HydrophobicContact CB-CG 3.52Å; P726-P806 HydrophobicContact CG-CG 3.98Å; S803-P806 CarbonylContact C-O 3.58Å; I804-P806 CarbonylContact C-O 3.59Å; I804-P806 CarbonylContact O-C 3.47Å; P806-D808 PolarHBondContact O-N 2.84Å
807	P	80	Confident	80.5	Confident	3 Å²	3	25.8 Å²	25.8	2%	0.019	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-58.3	120.4	173.6	-24.1	33.7	0	0	0	110.5	C531 L534 S727 S803 I804 M812	C531-P807 HydrophobicContact CB-CB 4.16Å; L534-P807 HydrophobicContact CB-CG 4.49Å; L534-P807 HydrophobicContact CD1-CG 4.32Å; S727-P807 WeakPolarHBondContact CA-O 3.38Å; S727-P807 WeakPolarHBondContact CB-O 3.45Å; S803-P807 CarbonylContact O-C 3.51Å; S803-P807 VanDerWaalsContact O-CA 3.26Å; S803-P807 WeakPolarHBondContact O-CA 3.31Å; I804-P807 WeakPolarHBondContact O-CD 3.46Å; I804-P807 WeakPolarHBondContact O-CG 3.29Å; I804-P807 VanDerWaalsContact O-N 3.17Å; P807-M812 HydrophobicContact CB-CE 4.23Å; P807-M812 HydrophobicContact CB-SD 4.34Å
808	D	84.3	Confident	81.1	Confident	2 Å²	2	23.5 Å²	23.5	1%	0.011	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-81.9	126.7	178.8	170.8	35.7	0	0	0	111.5	H491 Y527 P726 S803 P806 I810 T811 M812	H491-D808 IonicContact CE1-OD1 2.89Å; H491-D808 IonicContact CG-OD1 3.18Å; H491-D808 IonicContact ND1-OD1 2.64Å; H491-D808 PolarHBondContact ND1-OD1 2.69Å; Y527-D808 PolarHBondContact OH-O 3.21Å; P726-D808 VanDerWaalsContact O-CA 3.32Å; P726-D808 WeakPolarHBondContact O-CA 3.25Å; S803-D808 PolarHBondContact O-N 3.1Å; P806-D808 PolarHBondContact O-N 2.84Å; D808-I810 VanDerWaalsContact C-N 3.32Å; D808-I810 PolarHBondContact O-N 3.37Å; D808-I810 PolarHBondContact OD1-N 3.33Å; D808-I810 VanDerWaalsContact OD1-N 3.11Å; D808-T811 PolarHBondContact O-N 2.74Å; D808-T811 VanDerWaalsContact OD2-CB 3.24Å; D808-T811 WeakPolarHBondContact OD2-CB 3.44Å; D808-T811 PolarHBondContact OD2-N 2.88Å; D808-T811 PolarHBondContact OD2-OG1 2.94Å; D808-M812 WeakPolarHBondContact O-CB 3.43Å; D808-M812 WeakPolarHBondContact O-CG 3.25Å; D808-M812 PolarHBondContact O-N 3.37Å
809	W	85.6	Confident	81.5	Confident	1 Å²	1	21.8 Å²	21.8	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-66	-33.2	179.9	74.6	-97.3	0	0	0	113.1	H491 I602 C692 I693 L724 P726 C729 M812 C813	H491-W809 AromaticContact CE1-CD1 3.76Å; H491-W809 AromaticContact CE1-NE1 3.34Å; H491-W809 PolarHBondContact CE1-NE1 3.34Å; H491-W809 VanDerWaalsContact CE1-NE1 3.34Å; H491-W809 AromaticContact NE2-NE1 3.92Å; I602-W809 HydrophobicContact CD1-CE3 3.5Å; I602-W809 VanDerWaalsContact CD1-CE3 3.5Å; I602-W809 HydrophobicContact CD1-CH2 4.4Å; I602-W809 HydrophobicContact CD1-CZ3 3.38Å; I602-W809 HydrophobicContact CG2-CB 4.03Å; I602-W809 HydrophobicContact CG2-CD2 4.36Å; I602-W809 HydrophobicContact CG2-CE3 4Å; I602-W809 HydrophobicContact CG2-CG 4.41Å; C692-W809 HydrophobicContact CB-CH2 3.88Å; C692-W809 HydrophobicContact CB-CZ3 3.89Å; I693-W809 HydrophobicContact CD1-CH2 3.89Å; I693-W809 HydrophobicContact CD1-CZ2 3.9Å; L724-W809 HydrophobicContact CD2-CZ2 4.2Å; P726-W809 VanDerWaalsContact O-CD1 3.31Å; P726-W809 PolarHBondContact O-N 3.09Å; C729-W809 HydrophobicContact CB-CD2 4.23Å; C729-W809 HydrophobicContact CB-CH2 4.25Å; C729-W809 HydrophobicContact CB-CZ2 3.67Å; W809-M812 HydrophobicContact CB-CE 4.28Å; W809-M812 PolarHBondContact O-N 3.43Å; W809-C813 PolarHBondContact O-N 3.22Å; W809-C813 PolarHBondContact O-SG 3.33Å
810	I	86	Confident	81.8	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68.9	-49.9	179	-59.9	-176.3	0	0	0	109.3	H491 F494 F689 D808 M812 C813 V814	H491-I810 HydrophobicContact CB-CD1 4.3Å; F494-I810 HydrophobicContact CE2-CD1 3.47Å; F494-I810 VanDerWaalsContact CE2-CD1 3.47Å; F494-I810 HydrophobicContact CZ-CD1 3.63Å; F494-I810 HydrophobicContact CZ-CG2 4.06Å; F689-I810 HydrophobicContact CD2-CD1 3.64Å; F689-I810 HydrophobicContact CE2-CD1 3.88Å; D808-I810 VanDerWaalsContact C-N 3.32Å; D808-I810 PolarHBondContact O-N 3.37Å; D808-I810 PolarHBondContact OD1-N 3.33Å; D808-I810 VanDerWaalsContact OD1-N 3.11Å; I810-M812 VanDerWaalsContact C-N 3.28Å; I810-M812 PolarHBondContact O-N 2.8Å; I810-C813 WeakPolarHBondContact O-CB 3.13Å; I810-C813 PolarHBondContact O-N 2.96Å; I810-V814 WeakPolarHBondContact O-CG2 3.46Å; I810-V814 PolarHBondContact O-N 3.24Å
811	T	84.2	Confident	81.6	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61	-34.5	175	-58.1	0	0	0	0	112.3	L493 Y527 L800 S803 D808 A815	L493-T811 HydrophobicContact CD1-CG2 4.23Å; L493-T811 WeakPolarHBondContact CD1-OG1 3.49Å; Y527-T811 HydrophobicContact CE1-CG2 3.81Å; Y527-T811 HydrophobicContact CE2-CG2 4.07Å; Y527-T811 WeakPolarHBondContact OH-CB 3.46Å; L800-T811 HydrophobicContact CD2-CG2 3.47Å; L800-T811 VanDerWaalsContact CD2-CG2 3.47Å; S803-T811 PolarHBondContact OG-OG1 2.69Å; D808-T811 PolarHBondContact O-N 2.74Å; D808-T811 VanDerWaalsContact OD2-CB 3.24Å; D808-T811 WeakPolarHBondContact OD2-CB 3.44Å; D808-T811 PolarHBondContact OD2-N 2.88Å; D808-T811 PolarHBondContact OD2-OG1 2.94Å; T811-A815 VanDerWaalsContact O-CB 3.29Å; T811-A815 WeakPolarHBondContact O-CB 3.11Å; T811-A815 PolarHBondContact O-N 3.12Å
812	M	85.1	Confident	81.1	Confident	14 Å²	14	23.8 Å²	23.8	7%	0.069	12%	0.123	C	C	.	.	H	α-helix	trans	-64.5	-41.7	170.1	-74.5	-171.3	-67.3	0	0	112.9	Y527 L528 C531 P807 D808 W809 I810 A815 R816	Y527-M812 HydrophobicContact CE1-CG 3.91Å; L528-M812 HydrophobicContact CD2-CB 4.35Å; L528-M812 HydrophobicContact CD2-CG 4.23Å; C531-M812 HydrophobicContact CB-CG 4.44Å; C531-M812 HydrophobicContact CB-SD 3.97Å; P807-M812 HydrophobicContact CB-CE 4.23Å; P807-M812 HydrophobicContact CB-SD 4.34Å; D808-M812 WeakPolarHBondContact O-CB 3.43Å; D808-M812 WeakPolarHBondContact O-CG 3.25Å; D808-M812 PolarHBondContact O-N 3.37Å; W809-M812 HydrophobicContact CB-CE 4.28Å; W809-M812 PolarHBondContact O-N 3.43Å; I810-M812 VanDerWaalsContact C-N 3.28Å; I810-M812 PolarHBondContact O-N 2.8Å; M812-A815 PolarHBondContact O-N 3.39Å; M812-R816 WeakPolarHBondContact O-CG 3.36Å; M812-R816 PolarHBondContact O-N 3.33Å
813	C	85.9	Confident	80.1	Confident	1 Å²	1	24 Å²	24	1%	0.007	13%	0.133	C	C	.	.	H	α-helix	trans	-62.5	-46.7	174.9	-71.9	0	0	0	0	112.1	L606 F783 W809 I810 A815 R816 I817	L606-C813 HydrophobicContact CD2-CB 3.94Å; F783-C813 HydrophobicContact CE1-CB 4.37Å; F783-C813 HydrophobicContact CZ-CB 4.26Å; W809-C813 PolarHBondContact O-N 3.22Å; W809-C813 PolarHBondContact O-SG 3.33Å; I810-C813 WeakPolarHBondContact O-CB 3.13Å; I810-C813 PolarHBondContact O-N 2.96Å; C813-A815 PolarHBondContact O-N 3.25Å; C813-R816 PolarHBondContact O-N 3.04Å; C813-I817 WeakPolarHBondContact O-CG1 3.46Å; C813-I817 PolarHBondContact O-N 3.17Å; C813-I817 VanDerWaalsContact O-N 3.1Å
814	V	84.4	Confident	78.8	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.012	16%	0.159	C	C	.	.	H	α-helix	trans	-54.7	-52.4	173.5	173.5	0	0	0	0	110.4	L493 F783 I787 I810 R816 I817 C818	L493-V814 HydrophobicContact CD1-CG2 4.45Å; F783-V814 HydrophobicContact CE1-CG2 4.17Å; F783-V814 HydrophobicContact CZ-CG2 3.75Å; I787-V814 HydrophobicContact CD1-CB 4.22Å; I787-V814 HydrophobicContact CD1-CG1 3.97Å; I787-V814 HydrophobicContact CD1-CG2 4.09Å; I787-V814 HydrophobicContact CG1-CG1 4.23Å; I787-V814 HydrophobicContact CG1-CG2 4.37Å; I787-V814 HydrophobicContact CG2-CG1 4.23Å; I810-V814 WeakPolarHBondContact O-CG2 3.46Å; I810-V814 PolarHBondContact O-N 3.24Å; V814-R816 PolarHBondContact O-N 3.04Å; V814-I817 PolarHBondContact O-N 3.1Å; V814-C818 PolarHBondContact O-N 3.49Å; V814-C818 PolarHBondContact O-SG 3.17Å
815	A	84.5	Confident	77.5	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-41.4	-176.9	0	0	0	0	0	112.9	L524 Y527 L528 T811 M812 C813 L819	L524-A815 HydrophobicContact CD1-CB 4.48Å; L524-A815 HydrophobicContact CD2-CB 3.82Å; Y527-A815 HydrophobicContact CD1-CB 3.95Å; Y527-A815 HydrophobicContact CE1-CB 4.24Å; L528-A815 HydrophobicContact CD1-CB 4.12Å; L528-A815 HydrophobicContact CD2-CB 3.82Å; L528-A815 HydrophobicContact CG-CB 3.79Å; T811-A815 VanDerWaalsContact O-CB 3.29Å; T811-A815 WeakPolarHBondContact O-CB 3.11Å; T811-A815 PolarHBondContact O-N 3.12Å; M812-A815 PolarHBondContact O-N 3.39Å; C813-A815 PolarHBondContact O-N 3.25Å; A815-L819 WeakPolarHBondContact O-CD1 3.43Å; A815-L819 VanDerWaalsContact O-CG 3.29Å; A815-L819 WeakPolarHBondContact O-CG 3.22Å; A815-L819 PolarHBondContact O-N 2.86Å
816	R	85.6	Confident	77.7	Confident	40 Å²	40	32.6 Å²	32.6	15%	0.151	18%	0.182	C	C	.	.	H	α-helix	trans	-66.3	-45.4	178	-75.9	-173.7	-178.4	-77.1	1.8	113	L528 D603 L606 T607 L610 M812 C813 V814 L819 Y820	L528-R816 HydrophobicContact CD1-CG 3.78Å; L528-R816 HydrophobicContact CD2-CG 4.19Å; D603-R816 IonicContact OD1-CZ 3.79Å; D603-R816 IonicContact OD1-NE 3.52Å; D603-R816 PolarHBondContact OD1-NE 2.95Å; D603-R816 IonicContact OD1-NH2 2.76Å; D603-R816 PolarHBondContact OD1-NH2 3.34Å; D603-R816 IonicContact OD2-NH2 3.55Å; D603-R816 PolarHBondContact OD2-NH2 3.36Å; L606-R816 HydrophobicContact CD2-CB 4.28Å; T607-R816 PolarHBondContact OG1-NE 3.01Å; T607-R816 PolarHBondContact OG1-NH1 3.46Å; T607-R816 PolarHBondContact OG1-NH2 3.42Å; L610-R816 HydrophobicContact CD1-CB 4.16Å; M812-R816 WeakPolarHBondContact O-CG 3.36Å; M812-R816 PolarHBondContact O-N 3.33Å; C813-R816 PolarHBondContact O-N 3.04Å; V814-R816 PolarHBondContact O-N 3.04Å; R816-L819 PolarHBondContact O-N 3.11Å; R816-Y820 WeakPolarHBondContact O-CB 3.45Å; R816-Y820 PolarHBondContact O-N 2.8Å
817	I	83.6	Confident	77.9	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-71.5	-36.9	-174.5	-70	164.9	0	0	0	110.8	L606 L610 L695 L780 F783 Y784 C813 V814 N821	L606-I817 HydrophobicContact CD1-CD1 4.14Å; L606-I817 HydrophobicContact CD1-CG1 4.31Å; L606-I817 HydrophobicContact CD2-CD1 4.1Å; L606-I817 HydrophobicContact CD2-CG1 4.3Å; L610-I817 HydrophobicContact CD1-CG1 4.29Å; L695-I817 HydrophobicContact CD2-CD1 4.06Å; L780-I817 HydrophobicContact CD2-CD1 3.41Å; L780-I817 VanDerWaalsContact CD2-CD1 3.41Å; L780-I817 HydrophobicContact CD2-CG1 4Å; F783-I817 HydrophobicContact CD1-CB 4.33Å; F783-I817 HydrophobicContact CD1-CD1 3.36Å; F783-I817 HydrophobicContact CD1-CG1 4.41Å; F783-I817 HydrophobicContact CD1-CG2 4.25Å; F783-I817 HydrophobicContact CE1-CB 4.49Å; F783-I817 HydrophobicContact CE1-CD1 3.58Å; F783-I817 HydrophobicContact CG-CD1 4.4Å; Y784-I817 HydrophobicContact CD2-CG2 4.25Å; C813-I817 WeakPolarHBondContact O-CG1 3.46Å; C813-I817 PolarHBondContact O-N 3.17Å; C813-I817 VanDerWaalsContact O-N 3.1Å; V814-I817 PolarHBondContact O-N 3.1Å; I817-N821 PolarHBondContact O-N 3.38Å; I817-N821 VanDerWaalsContact O-N 3.11Å
818	C	82.1	Confident	77.8	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.014	19%	0.19	C	C	.	.	H	α-helix	trans	-58.4	-52.2	171.3	-66.3	0	0	0	0	112.1	L524 I787 Y791 V814 Y820 Q822	L524-C818 HydrophobicContact CD1-CB 3.44Å; L524-C818 VanDerWaalsContact CD1-CB 3.44Å; I787-C818 VanDerWaalsContact CG2-SG 3.55Å; Y791-C818 HydrophobicContact CE2-CB 4.15Å; Y791-C818 VanDerWaalsContact CE2-SG 3.58Å; V814-C818 PolarHBondContact O-N 3.49Å; V814-C818 PolarHBondContact O-SG 3.17Å; C818-Y820 PolarHBondContact O-N 3.05Å; C818-Q822 WeakPolarHBondContact O-CB 3.46Å; C818-Q822 VanDerWaalsContact O-CG 3.32Å; C818-Q822 WeakPolarHBondContact O-CG 3.24Å; C818-Q822 PolarHBondContact O-N 3.13Å; C818-Q822 VanDerWaalsContact O-N 3.14Å; C818-Q822 PolarHBondContact O-OE1 3.26Å
819	L	81.4	Confident	77.4	Confident	36 Å²	36	36.2 Å²	36.2	19%	0.188	20%	0.201	C	C	.	.	H	α-helix	trans	-65.2	-40.5	-178.4	-70.3	170.9	0	0	0	112.2	I521 L524 L528 A815 R816 Q822 T823	I521-L819 HydrophobicContact CG2-CD2 3.87Å; L524-L819 HydrophobicContact CB-CD1 4.08Å; L524-L819 HydrophobicContact CB-CD2 4.2Å; L524-L819 HydrophobicContact CB-CG 4.14Å; L524-L819 HydrophobicContact CD1-CD2 4.48Å; L524-L819 HydrophobicContact CD1-CG 4.14Å; L528-L819 HydrophobicContact CD1-CD1 3.67Å; A815-L819 WeakPolarHBondContact O-CD1 3.43Å; A815-L819 VanDerWaalsContact O-CG 3.29Å; A815-L819 WeakPolarHBondContact O-CG 3.22Å; A815-L819 PolarHBondContact O-N 2.86Å; R816-L819 PolarHBondContact O-N 3.11Å; L819-Q822 PolarHBondContact O-N 3.43Å; L819-T823 WeakPolarHBondContact O-CG2 3.28Å; L819-T823 PolarHBondContact O-N 3.24Å; L819-T823 PolarHBondContact O-OG1 3.17Å
820	Y	80.3	Confident	76.9	Confident	68 Å²	68	38.4 Å²	38.4	27%	0.267	21%	0.213	S	C	.	.	H	α-helix	trans	-61.4	-49.1	178.3	177.7	-98.7	0	0	0	112	L610 R816 C818 Q822 T823 N824	L610-Y820 HydrophobicContact CB-CD2 3.83Å; L610-Y820 HydrophobicContact CB-CE2 4Å; L610-Y820 HydrophobicContact CB-CG 4.2Å; L610-Y820 HydrophobicContact CD1-CG 4.37Å; L610-Y820 HydrophobicContact CD2-CD1 3.77Å; L610-Y820 HydrophobicContact CD2-CD2 4.39Å; L610-Y820 HydrophobicContact CD2-CE1 4.04Å; L610-Y820 HydrophobicContact CD2-CG 3.95Å; L610-Y820 HydrophobicContact CG-CG 4.39Å; L610-Y820 WeakPolarHBondContact O-CE2 3.27Å; L610-Y820 PolarHBondContact O-OH 3.09Å; R816-Y820 WeakPolarHBondContact O-CB 3.45Å; R816-Y820 PolarHBondContact O-N 2.8Å; C818-Y820 PolarHBondContact O-N 3.05Å; Y820-Q822 VanDerWaalsContact C-N 3.32Å; Y820-Q822 PolarHBondContact O-N 3.34Å; Y820-T823 PolarHBondContact O-N 3.03Å; Y820-T823 VanDerWaalsContact O-N 3.15Å; Y820-T823 PolarHBondContact O-OG1 3.43Å; Y820-N824 WeakPolarHBondContact CE1-ND2 3.13Å; Y820-N824 WeakPolarHBondContact CE2-ND2 3.33Å; Y820-N824 PolarHBondContact O-N 3.11Å; Y820-N824 PolarHBondContact O-ND2 3.19Å; Y820-N824 PolarHBondContact OH-ND2 3.26Å
821	N	73.3	Confident	76.3	Confident	45 Å²	45	41 Å²	41	24%	0.241	23%	0.227	C	C	.	.	H	α-helix	trans	-66.6	-34	-178.9	-74.7	-17.7	0	0	0	112.3	Y784 I817 T823 N824 S825	Y784-N821 VanDerWaalsContact CD1-ND2 3.31Å; Y784-N821 WeakPolarHBondContact CD1-ND2 3.41Å; Y784-N821 HydrophobicContact CD2-CB 4.21Å; Y784-N821 WeakPolarHBondContact CD2-ND2 3.31Å; Y784-N821 HydrophobicContact CE1-CB 4.13Å; Y784-N821 HydrophobicContact CE2-CB 3.69Å; Y784-N821 WeakPolarHBondContact CE2-ND2 3.4Å; I817-N821 PolarHBondContact O-N 3.38Å; I817-N821 VanDerWaalsContact O-N 3.11Å; N821-T823 VanDerWaalsContact C-N 3.35Å; N821-N824 PolarHBondContact O-N 3.23Å; N821-S825 PolarHBondContact O-N 3.43Å; N821-S825 PolarHBondContact O-OG 3.49Å
822	Q	66.9	Low	75.7	Confident	52 Å²	52	43.9 Å²	43.9	24%	0.243	24%	0.243	C	C	.	.	H	α-helix	trans	-72.8	-21.9	174	-71.8	167.9	-20.5	0	0	114.4	C818 L819 Y820 N824 S825	C818-Q822 WeakPolarHBondContact O-CB 3.46Å; C818-Q822 VanDerWaalsContact O-CG 3.32Å; C818-Q822 WeakPolarHBondContact O-CG 3.24Å; C818-Q822 PolarHBondContact O-N 3.13Å; C818-Q822 VanDerWaalsContact O-N 3.14Å; C818-Q822 PolarHBondContact O-OE1 3.26Å; L819-Q822 PolarHBondContact O-N 3.43Å; Y820-Q822 VanDerWaalsContact C-N 3.32Å; Y820-Q822 PolarHBondContact O-N 3.34Å; Q822-N824 VanDerWaalsContact C-N 3.33Å; Q822-S825 WeakPolarHBondContact CA-OG 3.28Å; Q822-S825 PolarHBondContact O-OG 2.85Å
823	T	59.3	Low	75	Confident	108 Å²	108	46.2 Å²	46.2	66%	0.663	26%	0.257	S	S	*	.	H	α-helix	trans	-81.4	-14.7	171.3	51.5	0	0	0	0	113.7	L819 Y820 N821	L819-T823 WeakPolarHBondContact O-CG2 3.28Å; L819-T823 PolarHBondContact O-N 3.24Å; L819-T823 PolarHBondContact O-OG1 3.17Å; Y820-T823 PolarHBondContact O-N 3.03Å; Y820-T823 VanDerWaalsContact O-N 3.15Å; Y820-T823 PolarHBondContact O-OG1 3.43Å; N821-T823 VanDerWaalsContact C-N 3.35Å
824	N	56.1	Low	74.1	Confident	104 Å²	104	50 Å²	50	56%	0.556	28%	0.278	S	S	*	.	H	α-helix	trans	-104.5	-15.2	179.9	-71.5	-37.1	0	0	0	113.7	Y820 N821 Q822	Y820-N824 WeakPolarHBondContact CE1-ND2 3.13Å; Y820-N824 WeakPolarHBondContact CE2-ND2 3.33Å; Y820-N824 PolarHBondContact O-N 3.11Å; Y820-N824 PolarHBondContact O-ND2 3.19Å; Y820-N824 PolarHBondContact OH-ND2 3.26Å; N821-N824 PolarHBondContact O-N 3.23Å; Q822-N824 VanDerWaalsContact C-N 3.33Å
825	S	51.5	Low	73.1	Confident	141 Å²	141	54.4 Å²	54.4	99%	0.986	30%	0.302	S	S	*	.			trans	-82.1	0	167.5	64.8	0	0	0	0	112.1	N821 Q822	N821-S825 PolarHBondContact O-N 3.43Å; N821-S825 PolarHBondContact O-OG 3.49Å; Q822-S825 WeakPolarHBondContact CA-OG 3.28Å; Q822-S825 PolarHBondContact O-OG 2.85Å

Retrieved 825 of 825 residues in 927.1 ms (Link to these results)

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